WorldWideScience

Sample records for anti-bixbyite-type structure analysed

  1. Analyses of containment structures with corrosion damage

    Energy Technology Data Exchange (ETDEWEB)

    Cherry, J.L.

    1996-12-31

    Corrosion damage to a nuclear power plant containment structure can degrade the pressure capacity of the vessel. For the low-carbon, low- strength steels used in containments, the effect of corrosion on material properties is discussed. Strain-to-failure tests, in uniaxial tension, have been performed on corroded material samples. Results were used to select strain-based failure criteria for corroded steel. Using the ABAQUS finite element analysis code, the capacity of a typical PWR Ice Condenser containment with corrosion damage has been studied. Multiple analyses were performed with the locations of the corrosion the containment, and the amount of corrosion varied in each analysis.

  2. Analyses of containment structures with corrosion damage

    Energy Technology Data Exchange (ETDEWEB)

    Cherry, J.L. [Sandia National Labs., Albuquerque, NM (United States)

    1997-01-01

    Corrosion damage that has been found in a number of nuclear power plant containment structures can degrade the pressure capacity of the vessel. This has prompted concerns regarding the capacity of corroded containments to withstand accident loadings. To address these concerns, finite element analyses have been performed for a typical PWR Ice Condenser containment structure. Using ABAQUS, the pressure capacity was calculated for a typical vessel with no corrosion damage. Multiple analyses were then performed with the location of the corrosion and the amount of corrosion varied in each analysis. Using a strain-based failure criterion, a {open_quotes}lower bound{close_quotes}, {open_quotes}best estimate{close_quotes}, and {open_quotes}upper bound{close_quotes} failure level was predicted for each case. These limits were established by: determining the amount of variability that exists in material properties of typical containments, estimating the amount of uncertainty associated with the level of modeling detail and modeling assumptions, and estimating the effect of corrosion on the material properties.

  3. Analysing the nanoporous structure of aramid fibres

    DEFF Research Database (Denmark)

    Pauw, Brian Richard; Vigild, Martin Etchells; Mortensen, Kell;

    2010-01-01

    After consideration of the applicability of classical methods, a novel analysis method for the characterization of fibre void structures is presented, capable of fitting the entire anisotropic two-dimensional scattering pattern to a model of perfectly aligned, polydisperse ellipsoids. It is tested...... for validity against the computed scattering pattern for a simulated nanostructure, after which it is used to fit the scattering from the void structure of commercially available heat-treated poly(p-phenylene terephtalamide) fibre and its as-spun precursor fibre. The application shows a reasonable fit...

  4. Algorithms for Analysing the Temporal Structure of Discourse

    CERN Document Server

    Hitzeman, J; Grover, C; Hitzeman, Janet; Moens, Marc; Grover, Claire

    1995-01-01

    We describe a method for analysing the temporal structure of a discourse which takes into account the effects of tense, aspect, temporal adverbials and rhetorical structure and which minimises unnecessary ambiguity in the temporal structure. It is part of a discourse grammar implemented in Carpenter's ALE formalism. The method for building up the temporal structure of the discourse combines constraints and preferences: we use constraints to reduce the number of possible structures, exploiting the HPSG type hierarchy and unification for this purpose; and we apply preferences to choose between the remaining options using a temporal centering mechanism. We end by recommending that an underspecified representation of the structure using these techniques be used to avoid generating the temporal/rhetorical structure until higher-level information can be used to disambiguate.

  5. Seismic Soil-Structure Interaction Analyses of a Deeply Embedded Model Reactor – SASSI Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Nie J.; Braverman J.; Costantino, M.

    2013-10-31

    This report summarizes the SASSI analyses of a deeply embedded reactor model performed by BNL and CJC and Associates, as part of the seismic soil-structure interaction (SSI) simulation capability project for the NEAMS (Nuclear Energy Advanced Modeling and Simulation) Program of the Department of Energy. The SASSI analyses included three cases: 0.2 g, 0.5 g, and 0.9g, all of which refer to nominal peak accelerations at the top of the bedrock. The analyses utilized the modified subtraction method (MSM) for performing the seismic SSI evaluations. Each case consisted of two analyses: input motion in one horizontal direction (X) and input motion in the vertical direction (Z), both of which utilized the same in-column input motion. Besides providing SASSI results for use in comparison with the time domain SSI results obtained using the DIABLO computer code, this study also leads to the recognition that the frequency-domain method should be modernized so that it can better serve its mission-critical role for analysis and design of nuclear power plants.

  6. Guide to Coupled Electrostatic-Structural Analyses with Arpeggio

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Vicki L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Engineering Sciences Center. Computational Solid Mechanics and Structural Dynamics Dept.

    2006-09-01

    Many applications in micromechanical systems (MEMS) involve electrostatically actuated parts. Arpeggio is a code for facilitating loose coupling between computational mechanics modules in a parallel computing environment. This document describes how to use Arpeggio for coupled elecromechanical analyses using examples commonly encountered in MEMS applications, namely the response of structures to loads imposed by electrostatic fields. For this type of analysis, Arpeggio is used to couple Adagio, a three dimensional finite element code for nonlinear, quasi static or implicit dynamic analysis of three-dimensional structures, with BEM, a boundary integral method code for the analysis of electrostatic fields. This guide describes the methodology used for the loose coupling and the commands the user needs in an input file to perform such an analysis. All commands related to coupled analyses are described and examples are provided.

  7. DMPD: Structural and functional analyses of bacterial lipopolysaccharides. [Dynamic Macrophage Pathway CSML Database

    Lifescience Database Archive (English)

    Full Text Available 12106784 Structural and functional analyses of bacterial lipopolysaccharides. Carof...html) (.csml) Show Structural and functional analyses of bacterial lipopolysaccharides. PubmedID 12106784 Ti...tle Structural and functional analyses of bacterial lipopolysaccharides. Authors

  8. Structure and chemistry of coals: calorimetric analyses. [Wetting heat

    Energy Technology Data Exchange (ETDEWEB)

    ,

    1979-01-01

    Heats of immersion (h/sub i/) of coals have been shown to be a valuable means of investigating structure and chemistry of coals. This report outlines some of the factors involved. Lower ranked coals imbibe more liquids (i.e., H/sub 2/O) onto more polar sites (carbonyl, phenolic, etc.) than higher ranked coals. Mineral matter reacts strongly with polar liquids (i.e., H/sub 2/O) giving rise to enhanced h/sub i/. Grinding of coals not only decreases particle size but modifies the coal structure to an increasing degree dependent upon the extent and severity of grinding. The magnitude of h/sub i/ and the rate of reaction are both modified consistent with the existence of a shrinking core or unperturbed coal structure serving as substrate to which the modified (less ordered) material is bound. Chemical (alkali) attack seems to loosen the coal structure markedly to allow enhanced access to fluid reagents. These exploratory studies have shown that calorimetric analyses similar to those developed and used by A.C. Zettlemoyer and his coworkers are excellent means for elucidating the structure and chemistry of coals and related materials.

  9. Structural analyses and integrated design of the MITICA Injector assembly

    Energy Technology Data Exchange (ETDEWEB)

    Mazzucco, G., E-mail: gianluca.mazzucco@dicea.unipd.it [Department ICEA, Università degli Studi di Padova (Italy); Muraro, D.; Salomoni, V.; Majorana, C. [Department ICEA, Università degli Studi di Padova (Italy); Marcuzzi, D.; Rigato, W.; Sonato, P.; Zaccaria, P.; Toigo, V. [Consorzio RFX, Associazione EURATOM-ENEA sulla Fusione, Corso Stati Uniti 4, I-35127 Padova (Italy); Inoue, T.; Takemoto, J.; Tobari, H.; Tsuchida, K.; Yamanaka, H.; Watanabe, K. [Japan Atomic Energy Agency, 801-1 Mukoyama, Naka, Ibaraki-ken 311-0193 (Japan)

    2013-10-15

    Highlights: ► Seismic design has been carried out on PRIMA building. ► Three-dimensional FE models have been developed the vessel and TL device. ► Three bellows stiffness have been considered to evaluate maximum TL displacements. -- Abstract: In the framework of the activities foreseen for PRIMA (Padova Research on Injector Megavolt Accelerated) the MITICA neutral beam injector plays the role of main experiment, aiming to build, operate, test and optimize a full power and full scale prototype of the ITER Heating Neutral Beam Injector [1–3]. The entire MITICA system will be housed in special buildings, suitably designed to provide all the necessary supports, interfaces and shielding walls for nuclear radiation safety. Therefore an integrated design of the MITICA system and relevant buildings shall be developed and verified carefully, considering all the different configurations, operational modes and load combinations. This paper presents the numerical models and the results of MITICA assembly integrated analyses. The model takes into account properly constraints to ground and surrounding buildings, to study and verify the static and seismic response of the whole assembly. The load cases are defined and the numerical analyses described. Load definition and analyses have been performed considering the requirements of both the ASME [4] and the National Standard NTC2008 [5] for the seismic verification of structures subject to design response spectra. The obtained results are finally shown in detail and discussed, also comparing some different design options for design optimization.

  10. Damping Analyses of Structural Vibrations and Shunted Piezoelectric Transducers

    Directory of Open Access Journals (Sweden)

    Saber Mohammadi

    2012-01-01

    Full Text Available Piezoelectric transducers in conjunction with appropriate electric networks can be used as a mechanical energy dissipation device. Alternatively, undesired mechanical energy of a structure could be converted into electrical energy that can be dissipated through a shunt network in the form of Joule heating. This paper presents an experimental method to calculate damping energy in mechanical systems. However, the mathematical description of damping mechanism is much more complicated, and any process responsible for the occurrence of damping is very intricate. Structural and piezoelectric damping are calculated and analysed in the case of pulse switching or SSDI semiactive vibration control technique. This technique which was developed in the field of piezoelectric damping consists in triggering the inverting switch on each extremum of the piezoelectric voltage which induces an increase of the electromechanical energy conversion.

  11. DEPUTY:Analysing Architectural Structures and Checking Style

    Institute of Scientific and Technical Information of China (English)

    D.Gorshkov; J.P.Wellisch

    2001-01-01

    The DepUty(dependencies utility)can be classified as a project and process management tool.The main goal of DepUty is to assist by means of source code analysis and graphical representation using UML,in understanding dependencies of sub-systems and packages in CMS object Oriented software,to understand architectureal structure,and to schedule code release in modularised integration.It also allows a new-comer to more easily understand the global structure, of CMS software,and to void circular dependencies up-front or re-factor the code,in case it was already too close to the edge of non-maintainability.We will discuss the various views DepUty provides to analyse package dependencies and illustrate both the metrics and style checking facilities it provides.

  12. Evolution and Structural Analyses of Glossina morsitans (Diptera; Glossinidae Tetraspanins

    Directory of Open Access Journals (Sweden)

    Edwin K. Murungi

    2014-11-01

    Full Text Available Tetraspanins are important conserved integral membrane proteins expressed in many organisms. Although there is limited knowledge about the full repertoire, evolution and structural characteristics of individual members in various organisms, data obtained so far show that tetraspanins play major roles in membrane biology, visual processing, memory, olfactory signal processing, and mechanosensory antennal inputs. Thus, these proteins are potential targets for control of insect pests. Here, we report that the genome of the tsetse fly, Glossina morsitans (Diptera: Glossinidae encodes at least seventeen tetraspanins (GmTsps, all containing the signature features found in the tetraspanin superfamily members. Whereas six of the GmTsps have been previously reported, eleven could be classified as novel because their amino acid sequences do not map to characterized tetraspanins in the available protein data bases. We present a model of the GmTsps by using GmTsp42Ed, whose presence and expression has been recently detected by transcriptomics and proteomics analyses of G. morsitans. Phylogenetically, the identified GmTsps segregate into three major clusters. Structurally, the GmTsps are largely similar to vertebrate tetraspanins. In view of the exploitation of tetraspanins by organisms for survival, these proteins could be targeted using specific antibodies, recombinant large extracellular loop (LEL domains, small-molecule mimetics and siRNAs as potential novel and efficacious putative targets to combat African trypanosomiasis by killing the tsetse fly vector.

  13. Analysing intracellular deformation of polymer capsules using structured illumination microscopy

    Science.gov (United States)

    Chen, Xi; Cui, Jiwei; Sun, Huanli; Müllner, Markus; Yan, Yan; Noi, Ka Fung; Ping, Yuan; Caruso, Frank

    2016-06-01

    Understanding the behaviour of therapeutic carriers is important in elucidating their mechanism of action and how they are processed inside cells. Herein we examine the intracellular deformation of layer-by-layer assembled polymer capsules using super-resolution structured illumination microscopy (SIM). Spherical- and cylindrical-shaped capsules were studied in three different cell lines, namely HeLa (human epithelial cell line), RAW264.7 (mouse macrophage cell line) and differentiated THP-1 (human monocyte-derived macrophage cell line). We observed that the deformation of capsules was dependent on cell line, but independent of capsule shape. This suggests that the mechanical forces, which induce capsule deformation during cell uptake, vary between cell lines, indicating that the capsules are exposed to higher mechanical forces in HeLa cells, followed by RAW264.7 and then differentiated THP-1 cells. Our study demonstrates the use of super-resolution SIM in analysing intracellular capsule deformation, offering important insights into the cellular processing of drug carriers in cells and providing fundamental knowledge of intracellular mechanobiology. Furthermore, this study may aid in the design of novel drug carriers that are sensitive to deformation for enhanced drug release properties.Understanding the behaviour of therapeutic carriers is important in elucidating their mechanism of action and how they are processed inside cells. Herein we examine the intracellular deformation of layer-by-layer assembled polymer capsules using super-resolution structured illumination microscopy (SIM). Spherical- and cylindrical-shaped capsules were studied in three different cell lines, namely HeLa (human epithelial cell line), RAW264.7 (mouse macrophage cell line) and differentiated THP-1 (human monocyte-derived macrophage cell line). We observed that the deformation of capsules was dependent on cell line, but independent of capsule shape. This suggests that the mechanical forces

  14. Evolution and Structural Analyses of Glossina morsitans (Diptera; Glossinidae) Tetraspanins

    NARCIS (Netherlands)

    Murungi, E.K.; Kariithi, H.M.; Adunga, V.; Obonyo, M.; Christoffels, A.

    2014-01-01

    Tetraspanins are important conserved integral membrane proteins expressed in many organisms. Although there is limited knowledge about the full repertoire, evolution and structural characteristics of individual members in various organisms, data obtained so far show that tetraspanins play major role

  15. Sensitivity analyses of cables to suspen-dome structural system

    Institute of Scientific and Technical Information of China (English)

    高博青; 翁恩豪

    2004-01-01

    The construction of the cables is a key step for erecting suspen-dome structures. In practical engineering, it is difficult to ensure that the designed pre-stresses of cables have been exactly introduced into the structures in the site; so it is necessary to evaluate the influence of the variation of the pre-stresses on the structural behavior. In the present work, an orthogonal design method was employed to investigate the pre-stressed cables' sensitivity to the suspen-dome system. The investigation was concentrated on a Kiewitt suspen-dome. Parametric studies were carried out to study the sensitivity of the structure's static behavior, dynamic behavior, and buckling loads when the pre-stresses in the cables varied. The investigation indicated that suspen-dome structures are sensitive to the pre-stresses in all cables; and that the sensitivity depended on the location of the cables and the kind of structural behavior. Useful suggestions are given at the end of the paper.

  16. Sensitivity analyses of cables to suspen-dome structural system

    Institute of Scientific and Technical Information of China (English)

    高博青; 翁恩豪

    2004-01-01

    The construction of the cables is a key step for erecting suspen-dome structures. In practical engineering, it is difficult to ensure that the designed pre-stresses of cables have been exactly introduced into the structures in the site; so it is necessary to evaluate the influence of the variation of the pre-stresses on the structural behavior. In the present work, an orthogonal design method was employed to investigate the pre-stressed cables'sensitivity to the suspen-dome system. The investigation was concentrated on a Kiewitt suspen-dome. Parametric studies were carried out to study the sensitivity of the structure's static behavior, dynamic behavior, and buckling loads when the pre-stresses in the cables varied. The investigation indicated that suspen-dome structures are sensitive to the pre-stresses in all cables; and that the sensitivity depended on the location of the cables and the kind of structural behavior. Useful suggestions are given at the end of the paper.

  17. Quaternary Structure Analyses of an Essential Oligomeric Enzyme.

    Science.gov (United States)

    Soares da Costa, Tatiana P; Christensen, Janni B; Desbois, Sebastien; Gordon, Shane E; Gupta, Ruchi; Hogan, Campbell J; Nelson, Tao G; Downton, Matthew T; Gardhi, Chamodi K; Abbott, Belinda M; Wagner, John; Panjikar, Santosh; Perugini, Matthew A

    2015-01-01

    Here, we review recent studies aimed at defining the importance of quaternary structure to a model oligomeric enzyme, dihydrodipicolinate synthase. This will illustrate the complementary and synergistic outcomes of coupling the techniques of analytical ultracentrifugation with enzyme kinetics, in vitro mutagenesis, macromolecular crystallography, small angle X-ray scattering, and molecular dynamics simulations, to demonstrate the role of subunit self-association in facilitating protein dynamics and enzyme function. This multitechnique approach has yielded new insights into the molecular evolution of protein quaternary structure.

  18. Analyses of concrete microcosmic structure in multi-media environment

    Institute of Scientific and Technical Information of China (English)

    闫波; 姜安玺; 王幼青; 刘丽艳; 徐桂芹

    2004-01-01

    The structure of concrete generally serves in multi-media environments; various environments act differently on concrete. The compound action of some severe environments will threaten the duration of concrete and decrease the service life of a concrete structure if improperly handled. In this paper the microstructure of concrete is observed by using Scanned Electric Microscope (SEM) through contrasting experiments in media of acid, alkali and salt with that of freezing-thawing in the same medium environment. This study is to supply a certain basis for changing traditional thinking of mechanical design and to combine construction reliability design with durability of concrete design.

  19. Incorporating flood event analyses and catchment structures into model development

    Science.gov (United States)

    Oppel, Henning; Schumann, Andreas

    2016-04-01

    The space-time variability in catchment response results from several hydrological processes which differ in their relevance in an event-specific way. An approach to characterise this variance consists in comparisons between flood events in a catchment and between flood responses of several sub-basins in such an event. In analytical frameworks the impact of space and time variability of rainfall on runoff generation due to rainfall excess can be characterised. Moreover the effect of hillslope and channel network routing on runoff timing can be specified. Hence, a modelling approach is needed to specify the runoff generation and formation. Knowing the space-time variability of rainfall and the (spatial averaged) response of a catchment it seems worthwhile to develop new models based on event and catchment analyses. The consideration of spatial order and the distribution of catchment characteristics in their spatial variability and interaction with the space-time variability of rainfall provides additional knowledge about hydrological processes at the basin scale. For this purpose a new procedure to characterise the spatial heterogeneity of catchments characteristics in their succession along the flow distance (differentiated between river network and hillslopes) was developed. It was applied to study of flood responses at a set of nested catchments in a river basin in eastern Germany. In this study the highest observed rainfall-runoff events were analysed, beginning at the catchment outlet and moving upstream. With regard to the spatial heterogeneities of catchment characteristics, sub-basins were separated by new algorithms to attribute runoff-generation, hillslope and river network processes. With this procedure the cumulative runoff response at the outlet can be decomposed and individual runoff features can be assigned to individual aspects of the catchment. Through comparative analysis between the sub-catchments and the assigned effects on runoff dynamics new

  20. Bioinformatics analyses of Shigella CRISPR structure and spacer classification.

    Science.gov (United States)

    Wang, Pengfei; Zhang, Bing; Duan, Guangcai; Wang, Yingfang; Hong, Lijuan; Wang, Linlin; Guo, Xiangjiao; Xi, Yuanlin; Yang, Haiyan

    2016-03-01

    Clustered regularly interspaced short palindromic repeats (CRISPR) are inheritable genetic elements of a variety of archaea and bacteria and indicative of the bacterial ecological adaptation, conferring acquired immunity against invading foreign nucleic acids. Shigella is an important pathogen for anthroponosis. This study aimed to analyze the features of Shigella CRISPR structure and classify the spacers through bioinformatics approach. Among 107 Shigella, 434 CRISPR structure loci were identified with two to seven loci in different strains. CRISPR-Q1, CRISPR-Q4 and CRISPR-Q5 were widely distributed in Shigella strains. Comparison of the first and last repeats of CRISPR1, CRISPR2 and CRISPR3 revealed several base variants and different stem-loop structures. A total of 259 cas genes were found among these 107 Shigella strains. The cas gene deletions were discovered in 88 strains. However, there is one strain that does not contain cas gene. Intact clusters of cas genes were found in 19 strains. From comprehensive analysis of sequence signature and BLAST and CRISPRTarget score, the 708 spacers were classified into three subtypes: Type I, Type II and Type III. Of them, Type I spacer referred to those linked with one gene segment, Type II spacer linked with two or more different gene segments, and Type III spacer undefined. This study examined the diversity of CRISPR/cas system in Shigella strains, demonstrated the main features of CRISPR structure and spacer classification, which provided critical information for elucidation of the mechanisms of spacer formation and exploration of the role the spacers play in the function of the CRISPR/cas system.

  1. Structural Glycomic Analyses at High Sensitivity: A Decade of Progress

    Science.gov (United States)

    Alley, William R.; Novotny, Milos V.

    2013-06-01

    The field of glycomics has recently advanced in response to the urgent need for structural characterization and quantification of complex carbohydrates in biologically and medically important applications. The recent success of analytical glycobiology at high sensitivity reflects numerous advances in biomolecular mass spectrometry and its instrumentation, capillary and microchip separation techniques, and microchemical manipulations of carbohydrate reactivity. The multimethodological approach appears to be necessary to gain an in-depth understanding of very complex glycomes in different biological systems.

  2. Impact of chromatin structures on DNA processing for genomic analyses.

    Directory of Open Access Journals (Sweden)

    Leonid Teytelman

    Full Text Available Chromatin has an impact on recombination, repair, replication, and evolution of DNA. Here we report that chromatin structure also affects laboratory DNA manipulation in ways that distort the results of chromatin immunoprecipitation (ChIP experiments. We initially discovered this effect at the Saccharomyces cerevisiae HMR locus, where we found that silenced chromatin was refractory to shearing, relative to euchromatin. Using input samples from ChIP-Seq studies, we detected a similar bias throughout the heterochromatic portions of the yeast genome. We also observed significant chromatin-related effects at telomeres, protein binding sites, and genes, reflected in the variation of input-Seq coverage. Experimental tests of candidate regions showed that chromatin influenced shearing at some loci, and that chromatin could also lead to enriched or depleted DNA levels in prepared samples, independently of shearing effects. Our results suggested that assays relying on immunoprecipitation of chromatin will be biased by intrinsic differences between regions packaged into different chromatin structures - biases which have been largely ignored to date. These results established the pervasiveness of this bias genome-wide, and suggested that this bias can be used to detect differences in chromatin structures across the genome.

  3. Structural analyses of sucrose laurate regioisomers by mass spectrometry techniques

    DEFF Research Database (Denmark)

    Lie, Aleksander; Stensballe, Allan; Pedersen, Lars Haastrup

    2015-01-01

    6- And 6′-O-lauroyl sucrose were isolated and analyzed by matrix-assisted laser desorption/ionisation (MALDI) time-of-flight (TOF) mass spectrometry (MS), Orbitrap high-resolution (HR) MS, and electrospray-ionization (ESI) tandem mass spectrometry (MS/MS). The analyses aimed to explore.......8, respectively, and Orbitrap HRMS confirmed the mass of [M+Na]+ (m/z 547.2712). ESI-MS/MS on the precursor ion [M+Na]+ resulted in product ion mass spectra showing two high-intensity signals for each sample. 6-O-Lauroyl sucrose produced signals located at m/z 547.27 and m/z 385.21, corresponding to the 6-O......-lauroyl glucose sodium adduct ions, while the signals for 6′-O-lauroyl sucrose were located at m/z 385.22 and 367.20, respectively corresponding to the sodium adduct ions with 6-O-lauroyl fructose and 6-O-lauroyl fructosyl. The mass spectra of the two regioisomers were clearly different, and the investigation...

  4. ASSESSMENT OF CHAROLAIS BULLS POPULATION STRUCTURE BASED ON SNPs ANALYSES

    OpenAIRE

    Nina Moravčíková; Tomáš Minarovič; Anna Trakovická

    2014-01-01

    The aim of this study was identification of SNPs in leptin (LEP), leptin receptor (LEPR), growth hormone (GH) and specific pituitary transcription factor (Pit-1) genes in order to analyze genetic structure of Charolais bulls’ population. The total numbers of genomic DNA samples were taken from 52 breeding bulls and analyzed by PCR-RFLP method. After digestion with restriction enzymes were detected in bulls’ population alleles with frequency: LEP/Sau3AI A 0.83 and B 0.17 (±0.037); LEPR/BseGI C...

  5. Lipids: From Chemical Structures, Biosynthesis, and Analyses to Industrial Applications.

    Science.gov (United States)

    Li-Beisson, Yonghua; Nakamura, Yuki; Harwood, John

    2016-01-01

    Lipids are one of the major subcellular components, and play numerous essential functions. As well as their physiological roles, oils stored in biomass are useful commodities for a variety of biotechnological applications including food, chemical feedstocks, and fuel. Due to their agronomic as well as economic and societal importance, lipids have historically been subjected to intensive studies. Major current efforts are to increase the energy density of cell biomass, and/or create designer oils suitable for specific applications. This chapter covers some basic aspects of what one needs to know about lipids: definition, structure, function, metabolism and focus is also given on the development of modern lipid analytical tools and major current engineering approaches for biotechnological applications. This introductory chapter is intended to serve as a primer for all subsequent chapters in this book outlining current development in specific areas of lipids and their metabolism.

  6. Design, interface development and structural analyses of SPIDER vacuum vessel

    Energy Technology Data Exchange (ETDEWEB)

    Rigato, W., E-mail: wladi.rigato@igi.cnr.i [Consorzio RFX, Associazione EURATOM-ENEA sulla Fusione, Corso Stati Uniti 4, I-35127 Padova (Italy); Boldrin, M.; DalBello, S.; Marcuzzi, D.; Tollin, M.; Zaccaria, P. [Consorzio RFX, Associazione EURATOM-ENEA sulla Fusione, Corso Stati Uniti 4, I-35127 Padova (Italy)

    2010-12-15

    in this paper together with analyses descriptions and results.

  7. Fracture mechanics analyses of partial crack closure in shell structures

    Science.gov (United States)

    Zhao, Jun

    2007-12-01

    This thesis presents the theoretical and finite element analyses of crack-face closure behavior in shells and its effect on the stress intensity factor under a bending load condition. Various shell geometries, such as spherical shell, cylindrical shell containing an axial crack, cylindrical shell containing a circumferential crack and shell with double curvatures, are all studied. In addition, the influence of material orthotropy on the crack closure effect in shells is also considered. The theoretical formulation is developed based on the shallow shell theory of Delale and Erdogan, incorporating the effect of crack-face closure at the compressive edges. The line-contact assumption, simulating the crack-face closure at the compressive edges, is employed so that the contact force at the closure edges is introduced, which can be translated to the mid-plane of the shell, accompanied by an additional distributed bending moment. The unknown contact force is computed by solving a mixed-boundary value problem iteratively, that is, along the crack length, either the normal displacement of the crack face at the compressive edges is equal to zero or the contact pressure is equal to zero. It is found that due to the curvature effects crack closure may not always occur on the entire length of the crack, depending on the direction of the bending load and the geometry of the shell. The crack-face closure influences significantly the magnitude of the stress intensity factors; it increases the membrane component but decreases the bending component. The maximum stress intensity factor is reduced by the crack-face closure. The significant influence of geometry and material orthotropy on rack closure behavior in shells is also predicted based on the analytical solutions. Three-dimensional FEA is performed to validate the theoretical solutions. It demonstrates that the crack face closure occurs actually over an area, not on a line, but the theoretical solutions of the stress intensity

  8. A simulation model for analysing brain structure deformations

    Energy Technology Data Exchange (ETDEWEB)

    Bona, Sergio Di [Institute for Information Science and Technologies, Italian National Research Council (ISTI-8211-CNR), Via G Moruzzi, 1-56124 Pisa (Italy); Lutzemberger, Ludovico [Department of Neuroscience, Institute of Neurosurgery, University of Pisa, Via Roma, 67-56100 Pisa (Italy); Salvetti, Ovidio [Institute for Information Science and Technologies, Italian National Research Council (ISTI-8211-CNR), Via G Moruzzi, 1-56124 Pisa (Italy)

    2003-12-21

    Recent developments of medical software applications from the simulation to the planning of surgical operations have revealed the need for modelling human tissues and organs, not only from a geometric point of view but also from a physical one, i.e. soft tissues, rigid body, viscoelasticity, etc. This has given rise to the term 'deformable objects', which refers to objects with a morphology, a physical and a mechanical behaviour of their own and that reflects their natural properties. In this paper, we propose a model, based upon physical laws, suitable for the realistic manipulation of geometric reconstructions of volumetric data taken from MR and CT scans. In particular, a physically based model of the brain is presented that is able to simulate the evolution of different nature pathological intra-cranial phenomena such as haemorrhages, neoplasm, haematoma, etc and to describe the consequences that are caused by their volume expansions and the influences they have on the anatomical and neuro-functional structures of the brain.

  9. Analysing the Transverse Structure of the Relativistic Jets of AGN

    CERN Document Server

    Murphy, E; Gabuzda, D C

    2013-01-01

    This paper describes a method of fitting total intensity and polarization profiles in VLBI images of astrophysical jets to profiles predicted by a theoretical model. As an example, the method is used to fit profiles of the jet in the Active Galactic Nucleus Mrk501 with profiles predicted by a model in which a cylindrical jet of synchrotron plasma is threaded by a magnetic field with helical and disordered components. This fitting yields model Stokes Q profiles that agree with the observed profiles to within the 1-2 \\sigma uncertainties; the I model and observed profiles are overall not in such good agreement, with the model I profiles being generally more symmetrical than the observed profiles. Consistent fitting results are obtained for profiles derived from 6cm VLBI images at two distances from the core, and also for profiles obtained for different wavelengths at a single location in the VLBI jet. The most striking success of the model is its ability to reproduce the spine-sheath polarization structure obse...

  10. ASSESSMENT OF CHAROLAIS BULLS POPULATION STRUCTURE BASED ON SNPs ANALYSES

    Directory of Open Access Journals (Sweden)

    Nina Moravčíková

    2014-02-01

    Full Text Available The aim of this study was identification of SNPs in leptin (LEP, leptin receptor (LEPR, growth hormone (GH and specific pituitary transcription factor (Pit-1 genes in order to analyze genetic structure of Charolais bulls’ population. The total numbers of genomic DNA samples were taken from 52 breeding bulls and analyzed by PCR-RFLP method. After digestion with restriction enzymes were detected in bulls’ population alleles with frequency: LEP/Sau3AI A 0.83 and B 0.17 (±0.037; LEPR/BseGI C 0.95 and T 0.05 (±0.021, GH/AluI L 0.62 and V 0.38 (±0.048 and Pit1/HinfI A 0.40 and B 0.60 (±0.048. Based on the observed vs. expected genotypes frequencies population across loci were in Hardy-Weinberg equilibrium (P>0.05, only in case of Pit-1 locus was detected disequilibrium. Predominant were in analyzed breeding bulls LEP/Sau3AIAA (0.69, LEPR/T945MCC (0.90, GH/AluILL (0.43 and Pit-1/HinfIAB (0.65 genotypes. The observed heterozygosity of SNPs was also transferred to the low (LEP/Sau3AI/0.248 and LEPR/T945M/0.088 or median polymorphic information content (GH/AluI/0.366 and Pit-1/HinfI/0.370. Within genetic variability estimating negative (LEPR/T945M and Pit-1/HinfI and positive values (LEP/Sau3AI and GH/AluI of fixation indexes FIS indicating slight heterozygote excess or deficiency based on analyzed genetic marker were observed.

  11. Evaluation of computer programs used for structural analyses of impact response of spent fuel shipping casks

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, B A; Gwinn, K W

    1984-05-01

    This report presents the results of a study of impact analyses of a generic spent-fuel cask. The study compares the use and results of three different finite element computer codes. Seven different cask-like model analyses are considered. The models encompass both linear and nonlinear geometric and material behavior. On the basis of the analyses results, this report recommends what parameters are useful in the comparison of different structural finite element computer programs. 5 references, 36 figures, 11 tables.

  12. Static and Dynamic Analyses of Long-Span Spatial Steel-Cable-Membrane Hybrid Structures

    Institute of Scientific and Technical Information of China (English)

    丁阳; 彭翼; 李忠献

    2003-01-01

    With the increment of the complexity of structural systems and the span of spatial structures, the interactions between parts of the structures, especially between some flexible substructures, become too complex to be analyzed clearly. In this paper, taking an actual gymnasium of a long-span spatial steel-cable-membrane hybrid structure as the calculation model, the static and dynamic analyses of the hybrid structures are performed by employing the global analysis of the whole hybrid structure and the substructural analysis of the truss arch substructure, the cable-membrane substructure, etc. In addition, the comparison of stresses and displacements of structural members in the global and substructural analyses is made. The numerical results show that serious errors exist in the substructural analysis of the hybrid structure, and the global analysis is necessary for the hybrid structure under the excitation of static loads and seismic loads.

  13. Hierarchical structure of the Sicilian goats revealed by Bayesian analyses of microsatellite information.

    Science.gov (United States)

    Siwek, M; Finocchiaro, R; Curik, I; Portolano, B

    2011-02-01

    Genetic structure and relationship amongst the main goat populations in Sicily (Girgentana, Derivata di Siria, Maltese and Messinese) were analysed using information from 19 microsatellite markers genotyped on 173 individuals. A posterior Bayesian approach implemented in the program STRUCTURE revealed a hierarchical structure with two clusters at the first level (Girgentana vs. Messinese, Derivata di Siria and Maltese), explaining 4.8% of variation (amovaФ(ST) estimate). Seven clusters nested within these first two clusters (further differentiations of Girgentana, Derivata di Siria and Maltese), explaining 8.5% of variation (amovaФ(SC) estimate). The analyses and methods applied in this study indicate their power to detect subtle population structure.

  14. Molecular and structural analyses of a novel temperature stress-induced lipocalin from wheat and Arabidopsis.

    Science.gov (United States)

    Frenette Charron, Jean Benoit; Breton, Ghislain; Badawi, Mohamed; Sarhan, Fathey

    2002-04-24

    Two cDNAs corresponding to a novel lipocalin were identified from wheat and Arabidopsis. The two cDNAs designated Tatil for Triticum aestivum L. temperature-induced lipocalin and Attil for Arabidopsis thaliana temperature-induced lipocalin encode polypeptides of 190 and 186 amino acids respectively. Structure analyses indicated the presence of the three structurally conserved regions that characterize lipocalins. Sequence analyses revealed that this novel class of plant lipocalin shares homology with three evolutionarily related lipocalins: the mammalian apolipoprotein D (ApoD), the bacterial lipocalin and the insect Lazarillo. The comparison of the putative tertiary structures of both the human ApoD and the wheat TaTIL suggest that the two proteins differ in membrane attachment and ligand interaction. Northern analyses demonstrated that Tatil and Attil transcripts are upregulated during cold acclimation and heat-shock treatment. The putative functions of this novel class of plant lipocalins during temperature stresses are discussed.

  15. University Students' Knowledge Structures and Informal Reasoning on the Use of Genetically Modified Foods: Multidimensional Analyses

    Science.gov (United States)

    Wu, Ying-Tien

    2012-12-01

    This study aims to provide insights into the role of learners' knowledge structures about a socio-scientific issue (SSI) in their informal reasoning on the issue. A total of 42 non-science major university students' knowledge structures and informal reasoning were assessed with multidimensional analyses. With both qualitative and quantitative analyses, this study revealed that those students with more extended and better-organized knowledge structures, as well as those who more frequently used higher-order information processing modes, were more oriented towards achieving a higher-level informal reasoning quality. The regression analyses further showed that the "richness" of the students' knowledge structures explained 25 % of the variation in their rebuttal construction, an important indicator of reasoning quality, indicating the significance of the role of students' sophisticated knowledge structure in SSI reasoning. Besides, this study also provides some initial evidence for the significant role of the "core" concept within one's knowledge structure in one's SSI reasoning. The findings in this study suggest that, in SSI-based instruction, science instructors should try to identify students' core concepts within their prior knowledge regarding the SSI, and then they should try to guide students to construct and structure relevant concepts or ideas regarding the SSI based on their core concepts. Thus, students could obtain extended and well-organized knowledge structures, which would then help them achieve better learning transfer in dealing with SSIs.

  16. ObStruct: a method to objectively analyse factors driving population structure using Bayesian ancestry profiles.

    Directory of Open Access Journals (Sweden)

    Velimir Gayevskiy

    Full Text Available Bayesian inference methods are extensively used to detect the presence of population structure given genetic data. The primary output of software implementing these methods are ancestry profiles of sampled individuals. While these profiles robustly partition the data into subgroups, currently there is no objective method to determine whether the fixed factor of interest (e.g. geographic origin correlates with inferred subgroups or not, and if so, which populations are driving this correlation. We present ObStruct, a novel tool to objectively analyse the nature of structure revealed in Bayesian ancestry profiles using established statistical methods. ObStruct evaluates the extent of structural similarity between sampled and inferred populations, tests the significance of population differentiation, provides information on the contribution of sampled and inferred populations to the observed structure and crucially determines whether the predetermined factor of interest correlates with inferred population structure. Analyses of simulated and experimental data highlight ObStruct's ability to objectively assess the nature of structure in populations. We show the method is capable of capturing an increase in the level of structure with increasing time since divergence between simulated populations. Further, we applied the method to a highly structured dataset of 1,484 humans from seven continents and a less structured dataset of 179 Saccharomyces cerevisiae from three regions in New Zealand. Our results show that ObStruct provides an objective metric to classify the degree, drivers and significance of inferred structure, as well as providing novel insights into the relationships between sampled populations, and adds a final step to the pipeline for population structure analyses.

  17. Static and modal numerical analyses for the roof structure of a railway freight refrigerated car

    Directory of Open Access Journals (Sweden)

    Raffaele Sepe

    2015-07-01

    Full Text Available Numerical analyses by finite element method and experimental tests are used to determine static and dynamic behaviour of railway vehicles. Experimental measurements are very time consuming and expensive, so they cannot be used at all stages of design. Numerical simulations do not have the disadvantages of experimental methods, but it is necessary to verify them by experiments to obtain realistic results. Fullwidth/ full-length, half-width/full-length and half-width/half-length modeling approaches can be used to determine static and vibrational behaviours of railway vehicles depending or not on the symmetry of roof structure and applied load. Different static loading cases defined in standards such as EN 12663, UIC CODE OR 577 and ERRI B12/RP17 have to be considered in FE analyses. Evaluation of stress states, buckling and vibrational behaviours for a roof structure of a railway freight refrigerated car are presented. To highlight the vibrational behaviour of the structure normal mode (free vibration analyses are performed. As a result of the relevant simulations, structural characteristics and structural weaknesses of the design are determined.

  18. The Seismic Reliability of Offshore Structures Based on Nonlinear Time History Analyses

    Science.gov (United States)

    Hosseini, Mahmood; Karimiyani, Somayyeh; Ghafooripour, Amin; Jabbarzadeh, Mohammad Javad

    2008-07-01

    Regarding the past earthquakes damages to offshore structures, as vital structures in the oil and gas industries, it is important that their seismic design is performed by very high reliability. Accepting the Nonlinear Time History Analyses (NLTHA) as the most reliable seismic analysis method, in this paper an offshore platform of jacket type with the height of 304 feet, having a deck of 96 feet by 94 feet, and weighing 290 million pounds has been studied. At first, some Push-Over Analyses (POA) have been preformed to recognize the more critical members of the jacket, based on the range of their plastic deformations. Then NLTHA have been performed by using the 3-components accelerograms of 100 earthquakes, covering a wide range of frequency content, and normalized to three Peak Ground Acceleration (PGA) levels of 0.3 g, 0.65 g, and 1.0 g. By using the results of NLTHA the damage and rupture probabilities of critical member have been studied to assess the reliability of the jacket structure. Regarding that different structural members of the jacket have different effects on the stability of the platform, an "importance factor" has been considered for each critical member based on its location and orientation in the structure, and then the reliability of the whole structure has been obtained by combining the reliability of the critical members, each having its specific importance factor.

  19. Silica nanowire–Au nanoparticle pea-podded composites: Synthesis and structural analyses

    Energy Technology Data Exchange (ETDEWEB)

    Gentile, A. [Dipartimento di Fisica ed Astronomia-Università di Catania, via S. Sofia 64, 95123 Catania (Italy); MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy); Ruffino, F., E-mail: francesco.ruffino@ct.infn.it [Dipartimento di Fisica ed Astronomia-Università di Catania, via S. Sofia 64, 95123 Catania (Italy); MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy); Boninelli, S. [MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy); Grimaldi, M.G. [Dipartimento di Fisica ed Astronomia-Università di Catania, via S. Sofia 64, 95123 Catania (Italy); MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy)

    2015-08-31

    Nanoscale wires of silicon oxide, among which some with embedded gold nanoparticles, are synthesized by a standard procedure involving the heating of a gold-coated silicon wafer at temperature higher than 1273 K. We report quantitative and systematic structural analyses of the silicon oxide nanowires with embedded gold nanoparticles performed by scanning electron microscopy, transmission electron microscopy, energy filtered transmission electron microscopy, X-ray diffraction, and optical transmittance measurements. For such pea-podded structures, the analyses allow us to correlate the diameter of the nanoparticles with the diameter of the nanowire in which they are embedded, and the diameter of the nanoparticles with their spacing. The results help in understanding the mechanism inducing the formation of such structures and indicate the coexistence of transport and instability processes during the growth stage. - Highlights: • Pea-podded SiO{sub 2} nanowire–Au nanoparticle structures are grown. • Correlations between the nanowire and the nanoparticle structural characteristics are established. • The growth mechanism of the pea-podded structures is analyzed. • Both thermodynamic instability and transport phenomena are claimed in the growth mechanism.

  20. pophelper: an R package and web app to analyse and visualize population structure.

    Science.gov (United States)

    Francis, R M

    2017-01-01

    The pophelper r package and web app are software tools to aid in population structure analyses. They can be used for the analyses and visualization of output generated from population assignment programs such as admixture, structure and tess. Some of the functions include parsing output run files to tabulate data, estimating K using the Evanno method, generating files for clumpp and functionality to create barplots. These functions can be streamlined into standard r analysis workflows. The latest version of the package is available on github (https://github.com/royfrancis/pophelper). An interactive web version of the pophelper package is available which covers the same functionalities as the r package version with features such as interactive plots, cluster alignment during plotting, sorting individuals and ordering of population groups. The interactive version is available at http://pophelper.com/.

  1. Who will volunteer? Analysing individual and structural factors of volunteering in Swiss sports clubs.

    Science.gov (United States)

    Schlesinger, Torsten; Nagel, Siegfried

    2013-01-01

    This article analyses the conditions influencing volunteering in sports clubs. It focuses not only on individual characteristics of volunteers but also on the corresponding structural conditions of sports clubs. It proposes a model of voluntary work in sports clubs based on economic behaviour theory. The influences of both the individual and context levels on the decision to engage in voluntary work are estimated in different multilevel models. Results of these multilevel analyses indicate that volunteering is not just an outcome of individual characteristics such as lower workloads, higher income, children belonging to the sports club, longer club memberships, or a strong commitment to the club. It is also influenced by club-specific structural conditions; volunteering is more probable in rural sports clubs whereas growth-oriented goals in clubs have a destabilising effect.

  2. Analyse automatique de la structure thématique du discours pour la navigation documentaire

    OpenAIRE

    Bilhaut, Frédérik

    2004-01-01

    Le système que nous proposons s'articule sur trois points. En premier lieu, nous définissons une notion de thème composite permettant d'indexer finement le contenu informationnel d'un document par sa structure thématique. D'autre part, nous proposons un modèle de représentation des connaissances permettant de guider l'analyse discursive, sous la forme d'axes structurants du domaine. Enfin, nous proposons un système d'apprentissage supervisé qui, combiné à une interface utilisateur, permet la ...

  3. NASTRAN thermal analyzer in a unified finite-element treatment of thermo-structural analyses

    Science.gov (United States)

    Lee, H. P.

    The NASTRAN thermal analyzer (NTA) which performs large-scale unified thermo-structural analyses with the NASTRAN (NASA structural analysis) computer program is described. The mathematical similitude between these two distinct disciplines of thermal and structure is examined. It serves as the theoretical basis upon which the implementation of the thermal capability in NASTRAN was accomplished. The program structure, the functional flow, the solution algorithms, the organization of an input data deck and the solution capabilities of NTA are summarized. Emphasis is placed on the interface of the unified approach in thermo-structural analyses where stresses, deflections, vibrations and bucklings induced by the effect of temperature change are of concern. Attentions are also directed to the preprocessor and post processors. As a specially designed preprocessor, the VIEW program is capable of generating exchange factors which can be output, at user's option, in formats compatible with that required by NTA. Two post processors that serve specific objectives are included. They are the thermal variance analysis and the graphical displaying capability of temperatures in color or black and white.

  4. Sequence and structural analyses of nuclear export signals in the NESdb database.

    Science.gov (United States)

    Xu, Darui; Farmer, Alicia; Collett, Garen; Grishin, Nick V; Chook, Yuh Min

    2012-09-01

    We compiled >200 nuclear export signal (NES)-containing CRM1 cargoes in a database named NESdb. We analyzed the sequences and three-dimensional structures of natural, experimentally identified NESs and of false-positive NESs that were generated from the database in order to identify properties that might distinguish the two groups of sequences. Analyses of amino acid frequencies, sequence logos, and agreement with existing NES consensus sequences revealed strong preferences for the Φ1-X(3)-Φ2-X(2)-Φ3-X-Φ4 pattern and for negatively charged amino acids in the nonhydrophobic positions of experimentally identified NESs but not of false positives. Strong preferences against certain hydrophobic amino acids in the hydrophobic positions were also revealed. These findings led to a new and more precise NES consensus. More important, three-dimensional structures are now available for 68 NESs within 56 different cargo proteins. Analyses of these structures showed that experimentally identified NESs are more likely than the false positives to adopt α-helical conformations that transition to loops at their C-termini and more likely to be surface accessible within their protein domains or be present in disordered or unobserved parts of the structures. Such distinguishing features for real NESs might be useful in future NES prediction efforts. Finally, we also tested CRM1-binding of 40 NESs that were found in the 56 structures. We found that 16 of the NES peptides did not bind CRM1, hence illustrating how NESs are easily misidentified.

  5. Spatial genetic structure in two congeneric epiphytes with different dispersal strategies analysed by three different methods.

    Science.gov (United States)

    Snall, T; Fogelqvist, J; Ribeiro, P J; Lascoux, M

    2004-08-01

    Three different approaches were used to assess the kinship structure of two epiphytic bryophytes, Orthotrichum speciosum and O. obtusifolium, that have different dispersal strategies. The two species were sampled in a 200 ha landscape where species occurrence and host trees had been mapped previously. Local environmental conditions at sampled trees were recorded and kinship between individuals was calculated based on amplified fragment length polymorphism (AFLP)-marker data. We did not detect any association between AFLP-markers and investigated environmental conditions. In both species, significant kinship coefficients were found between individuals up to 300-350 m apart which shows that both species have a restricted dispersal range. The spatial kinship structure was detected with both autocorrelation analysis and generalized additive models (GAMs), but linear regression failed to detect any structure in O. speciosum. Although the dioecious O. obtusifolium is currently the more common species it may, none the less, due to its restricted dispersal range and reproduction mode, become threatened in the future by current silvicultural practices which enhance the distance between host trees and decrease their life span. Finally, GAMs seem most appropriate for analysing spatial genetic structure because the effects of local environmental conditions and spatial structure can be analysed simultaneously, no assumption of a parametric form between kinship coefficient and distance is required, and spatial data resolution is not lost in the arbitrary choice of distance classes characterizing autocorrelation analysis.

  6. Structural walkdown procedure for natural phenomena engineering analyses at the Oak Ridge Y-12 Plant

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1992-06-01

    This walkdown plan outlines the process to be followed and the pertinent structural information to be collected for the assessment of the adequacy of existing or future natural phenomena analyses for the Oak Ridge Y-12 Plant. This approach is being followed in order to develop input to assess that the critical facilities were constructed in accordance with the design drawings, that any major configuration changes to the principle structures are identified and that the location of major equipment loadings are defined. This structural walkdown plan is not intended to collect detailed information for the purpose of developing as-built structural drawings or to evaluate equipment or safety system/component interaction. Implementation of this plan is required for the walkdown phase of the Y-12 Plant natural phenomena analyses. The types of walkdowns to be performed in this procedure include: (1) A walkdown based on a sampling approach to collect detailed structural design information relative to member sizes, orientation, connection, and base details to support the conclusion that the structural configuration is consistent with the design drawings. (2) A walkdown to collect detailed information relative to equipment loadings on top and bottom of floors and roof. (3) A walkthrough inspection of all areas of the building to identify any areas of major configuration change from design drawings. Basic floor loading information such as size, location, and weight is to be obtained. Actual dead loads and live loads are to be determined. Floor load drawings will be developed to show the location, weights, etc., for major dead and live loads. One walkdown package will be generated for each of the following Y-12 Plant structures: Buildings 9212, 9980, 9996, 9723-25, 9828-1, 9828-2, 9828-3, 9767-10, 9812, 9815, 9818, 9999, 9423. The justification for these walkdowns is the potential for release of radioactive and/or other hazardous materials.

  7. Wave response analyses of floating crane structure; Crane sen no jobu kozobutsu no haro oto

    Energy Technology Data Exchange (ETDEWEB)

    Nobukawa, H.; Takaki, M.; Kitamura, M.; Ahou, G. [Hiroshima University, Hiroshima (Japan). Faculty of Engineering; Higashimura, M. [Fukada Salvage and Marine Works Co. Ltd., Osaka (Japan)

    1996-12-31

    Identifying a dynamic load acting on a lifted load in a floating crane moving in waves is important for preparing an operation manual for the floating crane. Analyses were made on motions in waves of a floating crane with a lifting load of 3,600 tons, with considerations given to deformation of the crane structure. Discussions were given on a dynamic load acting on a lifted load. If a case that considers elastic deformation in the crane structure is compared with a case that does not consider same in calculating hull motions of the floating crane, the difference between them is small if wave length {lambda} to the ship length L is about 0.5. However, if {lambda}/L is 1.0 and 1.5, the difference grows very large. Therefore, the effect of deformation in the crane structure on hull motions of the floating crane cannot be ignored in these cases. A dynamic load acting on a lifted load that considers deformation in the crane structure is about 5% of lifted weight in a headsea condition in which the wave height is 2 m and {lambda}/L is 1.5. As opposed, an estimated value of a dynamic load when the crane structure is regarded as a rigid body is 13%, which is 2.6 times as great as the case that considers deformation of the crane structure. 3 refs., 17 figs., 1 tab.

  8. Cycle 0(CY1991) NLS trade studies and analyses report. Book 1: Structures and core vehicle

    Science.gov (United States)

    1992-01-01

    This report (SR-1: Structures, Trades, and Analysis), documents the Core Tankage Trades and analyses performed in support of the National Launch System (NLS) Cycle 0 preliminary design activities. The report covers trades that were conducted on the Vehicle Assembly, Fwd Skirt, LO2 Tank, Intertank, LH2 Tank, and Aft Skirt of the NLS Core Tankage. For each trade study, a two page executive summary and the detail trade study are provided. The trade studies contain study results, recommended changes to the Cycle 0 Baselines, and suggested follow on tasks to be performed during Cycle 1.

  9. A new method of tree structure for analysing nested watershed shape

    Science.gov (United States)

    Chen, Yong-Gang; Yang, Chun-Ju; Chen, Xiao-Yin; Ma, Tian-Wu; Wang, Li; Du, Jing-Yuan

    2016-07-01

    A new method based on tree structure is proposed to study the relationship of multi-scale watershed shapes. Considering the nested relationship of watershed characteristics, the method uses a tree structure to reflect different watershed scales. We investigated the Loess Plateau of Shanxi Province, China, using 30-m resolution Digital Elevation Models (DEMs). The study consists of three stages: (1) by using Geographic Information System (GIS) tools, different scale watersheds were extracted from the DEMs and used to build a tree structure model based on spatial inclusion relationships; (2) the tree structure was transformed into a table based on the size of watershed area; and (3) the shape was quantified by roundness and tightness coefficients to analyse shape relationships among different scales of watersheds. The application of the method to 15 types of geomorphological features suggests that the smaller the watersheds are, the rounder they tend to be. The new tree structure method introduced here provides a good understanding of nested relationships between watershed characteristics.

  10. Structural identifiability analyses of candidate models for in vitro Pitavastatin hepatic uptake.

    Science.gov (United States)

    Grandjean, Thomas R B; Chappell, Michael J; Yates, James W T; Evans, Neil D

    2014-05-01

    In this paper a review of the application of four different techniques (a version of the similarity transformation approach for autonomous uncontrolled systems, a non-differential input/output observable normal form approach, the characteristic set differential algebra and a recent algebraic input/output relationship approach) to determine the structural identifiability of certain in vitro nonlinear pharmacokinetic models is provided. The Organic Anion Transporting Polypeptide (OATP) substrate, Pitavastatin, is used as a probe on freshly isolated animal and human hepatocytes. Candidate pharmacokinetic non-linear compartmental models have been derived to characterise the uptake process of Pitavastatin. As a prerequisite to parameter estimation, structural identifiability analyses are performed to establish that all unknown parameters can be identified from the experimental observations available.

  11. Analyses of structure and spectroscopic property in amorphous oxides and chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Iwadate, Yasuhiko; Hattori, Takeo; Nishiyama, Shin; Fukushima, Kazuko; Yokota, Hideki [Chiba Univ. (Japan). Faculty of Engineering; Noda, Kenji; Nakazawa, Tetsuya

    1998-01-01

    Li{sub 2}O-TeO{sub 2} glasses studied in the present work are known to possess high densities, refractive indexes, dielectric constants, and transmittance against the lights at infrared wavelength region. In spite of their usefulness, there exists little work on the short range structure of Li{sub 2}O-TeO{sub 2} glasses analyzed by not spectroscopy but diffraction experiments. The structure of Li{sub 2}O(15mol%)-TeO{sub 2}(85mol%) and Li{sub 2}O(25mol%)-TeO{sub 2}(75mol%) glasses was analysed by X-ray diffraction in which an interpretation of the radial distribution function was discussed on the basis of the correlation method. (author)

  12. Quantification of rock heterogeneities by structural geological field studies combined with laboratory analyses

    Science.gov (United States)

    Reyer, Dorothea; Afsar, Filiz; Philipp, Sonja

    2013-04-01

    Heterogeneous rock properties in terms of layering and complex infrastructure of fault zones are typical in sedimentary successions. The knowledge of in-situ mechanical rock properties is crucial for a better understanding of processes such as fracturing and fluid transport in fractured reservoirs. To estimate in situ rock properties at different depths it is important to understand how rocks from outcrops differ from rocks at depth, for example due to alteration and removal of the overburden load. We aim at quantifying these properties by performing structural geological field studies in outcrop analogues combined with laboratory analyses of outcrop samples and drill-cores. The field studies focus on 1) fault zone infrastructure and 2) host rock fracture systems in two different study areas with different lithologies, the North German and the Bristol Channel Basin. We analyse quantitatively the dimension, geometry, persistence and connectivity of fracture systems. The field studies are complemented by systematic sampling to obtain the parameters Young's modulus, compressive and tensile strengths and elastic strain energy (also referred to as destruction work) from which we estimate rock and fracture toughnesses. The results show that in rocks with distinctive layering fractures are often restricted to individual layers, that is, stratabound. The probability of arrest seems to depend on the stiffness contrast between two single layers as well as on the thickness of the softer layer. The results also show that there are clear differences between fault zones in the different lithologies in terms of damage zone thicknesses and fracture system parameters. The results of laboratory analyses show that the mechanical properties vary considerably and for many samples there are clear directional differences. That is, samples taken perpendicular to layering commonly have higher stiffnesses and strengths than those taken parallel to layering. We combine the results of

  13. Structural and functional analyses of disease-causing missense mutations in Bloom syndrome protein.

    Science.gov (United States)

    Guo, Rong-Bing; Rigolet, Pascal; Ren, Hua; Zhang, Bo; Zhang, Xing-Dong; Dou, Shuo-Xing; Wang, Peng-Ye; Amor-Gueret, Mounira; Xi, Xu Guang

    2007-01-01

    Bloom syndrome (BS) is an autosomal recessive disorder characterized by genomic instability and the early development of many types of cancer. Missense mutations have been identified in the BLM gene (encoding a RecQ helicase) in affected individuals, but the molecular mechanism and the structural basis of the effects of these mutations remain to be elucidated. We analysed five disease-causing missense mutations that are localized in the BLM helicase core region: Q672R, I841T, C878R, G891E and C901Y. The disease-causing mutants had low ATPase and helicase activities but their ATP binding abilities were normal, except for Q672, whose ATP binding activity was lower than that of the intact BLM helicase. Mutants C878R, mapping near motif IV, and G891E and C901Y, mapping in motif IV, displayed severe DNA-binding defects. We used molecular modelling to analyse these mutations. Our work provides insights into the molecular basis of BLM pathology, and reveals structural elements implicated in coupling DNA binding to ATP hydrolysis and DNA unwinding. Our findings will help to explain the mechanism underlying BLM catalysis and interpreting new BLM causing mutations identified in the future.

  14. Structural analyses of the storage container for heavy element facility, building-251

    Energy Technology Data Exchange (ETDEWEB)

    Ng, D S

    1999-01-01

    The Heavy Element Facility, Building 251, contains a series of underground storage vaults which are used for long term storage of nuclear materials. A storage rack with shelves is suspended from the top of each storage vault. The stainless steel containers enclosing the nuclear materials are stored on the shelves. A Hazard & Accident assessment analyzed the vulnerability of this storage system to assaults resulting from natural phenomena and accidents within the building. The assessment considered all racks and their containers to be stored underground and secured in their static, long-term configuration. Moving beyond the static, long-term hazard assessment, the structural analyses were performed to evaluate the storage container against a rare, short duration event. An accidental free drop of a container may occur in a combination of two events: a rare, short-duration earthquake concurrent with an operation of raising the storage rack to a maximum height that the crane is capable of. This hypothetical free drop may occur only to the container in the uppermost shelf of the storage rack. The analyses were the structural evaluation of the storage container to determine the material containment integrity of the storage container after the accident. The evaluation was performed simulating a free drop from the storage rack, with a maximum load in the container, striking/an unyielding surface in the worst orientation. The analyses revealed that, in the very unlikely event of a container drop, the integrity of the hermetic seal of the storage container could be compromised due to plastic deformation of the lid and mating flange. Simple engineering and administrative controls can prevent that from occurring.

  15. Structural and functional analyses of the putrescine binding protein PotF from Xanthomonas citri

    Energy Technology Data Exchange (ETDEWEB)

    Santana, L.D.F.; Balan, A. [Laboratorio Nacional de Biociencias - LNBIO, Campinas, SP (Brazil)

    2012-07-01

    Full text: The focus of our group is to determinate the role of ABC transporters in the physiology and growth of Xanthomonas citri, a phytopathogenic bacteria that infects citrus plants causing significant losses for the economy. One of the ABC transporters identified in the X. citri genome and that was showed to be active during the infection in Citrus sinensis plants was the putrescine transporter. This transporter consists of two internal membrane proteins PotG and PotH that form a pore, a cytoplasmic protein that gives energy for the transport and the periplasmic-binding protein PotF, which is responsible for the affinity and specificity of the system. Its function is associated to the microbial carcinogenesis, biofilm formation, escape from phagolysosomes, bacteriocin production, toxin activity and protection from oxidative and acid stress. In this work, we show for the first time, the expression, purification, functional and structural analyses of the X. citri PotF protein. The PotF was expressed from Escherichia coli cells strain Arctic, as a 40 kDa soluble protein, after induction of IPTG for twenty four hours at thirteen deg C. Using immobilized metal affinity chromatography for purification, the protein was eluted in the fractions with 10-500 mM of imidazole. To test the folding and cability to bind putrescine, spectroscopic analyses were performed using circular dichroism and intrinsic fluorescence. The data showed that PotF suffers conformational changes in presence of ligands and in different pH, suggesting a possible interaction with the tested ligand. Moreover, based on bioinformatics studies and molecular modeling analyses, we showed that X. citri PotF is highly conserved when compared to orthologs present in other bacteria, including the residues that form the ligand-binding site. The production of PotF in a soluble and stable form will allow us to start the crystallization trials in attempt to solve its structure. (author)

  16. Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.

    Science.gov (United States)

    Sun, Siyang; Xiang, Ye; Akahata, Wataru; Holdaway, Heather; Pal, Pankaj; Zhang, Xinzheng; Diamond, Michael S; Nabel, Gary J; Rossmann, Michael G

    2013-04-02

    A 5.3 Å resolution, cryo-electron microscopy (cryoEM) map of Chikungunya virus-like particles (VLPs) has been interpreted using the previously published crystal structure of the Chikungunya E1-E2 glycoprotein heterodimer. The heterodimer structure was divided into domains to obtain a good fit to the cryoEM density. Differences in the T = 4 quasi-equivalent heterodimer components show their adaptation to different environments. The spikes on the icosahedral 3-fold axes and those in general positions are significantly different, possibly representing different phases during initial generation of fusogenic E1 trimers. CryoEM maps of neutralizing Fab fragments complexed with VLPs have been interpreted using the crystal structures of the Fab fragments and the VLP structure. Based on these analyses the CHK-152 antibody was shown to stabilize the viral surface, hindering the exposure of the fusion-loop, likely neutralizing infection by blocking fusion. The CHK-9, m10 and m242 antibodies surround the receptor-attachment site, probably inhibiting infection by blocking cell attachment. DOI:http://dx.doi.org/10.7554/eLife.00435.001.

  17. Structural Analyses of the Support Trusses for the Nuclear Thermal Rocket Engines and Drop Tanks

    Science.gov (United States)

    Myers, David E.; Kosareo, Daniel N.

    2006-01-01

    Finite element structural analyses were performed on the support trusses of the Nuclear Thermal Rocket (NTR) engines and drop tanks to verify that the proper amount of mass was allocated for these components in the vehicle sizing model. The verification included a static stress analysis, a modal analysis, and a buckling analysis using the MSC/NASTRAN™ structural analysis software package. In addition, a crippling stress analysis was performed on the truss beams using a handbook equation. Two truss configurations were examined as possible candidates for the drop tanks truss while a baseline was examined for the engine support thrust structure. For the drop tanks trusses, results showed that both truss configurations produced similar results although one performed slightly better in buckling. In addition, it was shown that the mass allocated in the vehicle sizing model was adequate although the engine thrust structure may need to be modified slightly to increase its lateral natural frequency above the minimum requirement of 8 Hz that is specified in the Delta IV Payload Planners Guide.

  18. A Macro-Element for Dynamic Soil-Structure Interaction Analyses of Shallow Foundations

    CERN Document Server

    Chatzigogos, Charisis; Salençon, Jean

    2008-01-01

    The scope of the paper is to present some aspects of the development of a "macro-element" for dynamic soil-structure interaction analyses of shallow foundations. Initially the concept of "macro-element" is introduced and is illustrated with the aid of a very simple example originating from structural engineering. Then the link is made with the modeling of the dynamic response of shallow foundations and the objectives and structure of such a tool are described with reference to the specific configuration of a circular footing resting on the surface of a heterogeneous purely cohesive soil. The principal features of the "macro-element" are then presented; the soil-structure interaction domain is reduced to a point that coincides with the center of the footing and all the (material and geometric) non-linearities are lumped at this point. A discussion on the most appropriate way to treat these non-linearities is undertaken based on experience gained with earlier works. It is suggested that the non-linearities be i...

  19. Structural, microstructural and vibrational analyses of the monoclinic tungstate BiLuWO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Ait Ahsaine, H. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106 Cité Dakhla, Agadir (Morocco); Taoufyq, A. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106 Cité Dakhla, Agadir (Morocco); Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université de Toulon, BP 20132, 83957 La Garde Cedex (France); Patout, L. [Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université de Toulon, BP 20132, 83957 La Garde Cedex (France); Ezahri, M.; Benlhachemi, A.; Bakiz, B. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106 Cité Dakhla, Agadir (Morocco); Villain, S.; Guinneton, F. [Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université de Toulon, BP 20132, 83957 La Garde Cedex (France); Gavarri, J.-R., E-mail: gavarri.jr@univ-tln.fr [Institut Matériaux Microélectronique et Nanosciences de Provence, IM2NP, UMR CNRS 7334, Université de Toulon, BP 20132, 83957 La Garde Cedex (France)

    2014-10-15

    The bismuth lutetium tungstate phase BiLuWO{sub 6} has been prepared using a solid state route with stoichiometric mixtures of oxide precursors. The obtained polycrystalline phase has been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman spectroscopy. In the first step, the crystal structure has been refined using Rietveld method: the crystal cell was resolved using monoclinic system (parameters a, b, c, β) with space group A2/m. SEM images showed the presence of large crystallites with a constant local nominal composition (BiLuW). TEM analyses showed that the actual local structure could be better represented by a superlattice (a, 2b, c, β) associated with space groups P2 or P2/m. The Raman spectroscopy showed the presence of vibrational bands similar to those observed in the compounds BiREWO{sub 6} with RE=Y, Gd, Nd. However, these vibrational bands were characterized by large full width at half maximum, probably resulting from the long range Bi/Lu disorder and local WO{sub 6} octahedron distortions in the structure. - Graphical abstract: The average structure of BiLuWO{sub 6} determined from X-ray diffraction data can be represented by A2/m space group. Experimental Electron Diffraction patterns along the [0vw] zone axes of the monoclinic structure and associated simulated patterns show the existence of a monoclinic superstructure with space group P2 or P2/m. - Highlights: • A new monoclinic BiLuWO{sub 6} phase has been elaborated from solid-state reaction. • The space group of the monoclinic disordered average structure should be A2/m. • Transmission electron microscopy leads to a superlattice with P2/m space group. • Raman spectroscopy suggests existence of local disorder.

  20. Dynamics and spatial structure of ENSO from re-analyses versus CMIP5 models

    Science.gov (United States)

    Serykh, Ilya; Sonechkin, Dmitry

    2016-04-01

    Basing on a mathematical idea about the so-called strange nonchaotic attractor (SNA) in the quasi-periodically forced dynamical systems, the currently available re-analyses data are considered. It is found that the El Niño - Southern Oscillation (ENSO) is driven not only by the seasonal heating, but also by three more external periodicities (incommensurate to the annual period) associated with the ~18.6-year lunar-solar nutation of the Earth rotation axis, ~11-year sunspot activity cycle and the ~14-month Chandler wobble in the Earth's pole motion. Because of the incommensurability of their periods all four forces affect the system in inappropriate time moments. As a result, the ENSO time series look to be very complex (strange in mathematical terms) but nonchaotic. The power spectra of ENSO indices reveal numerous peaks located at the periods that are multiples of the above periodicities as well as at their sub- and super-harmonic. In spite of the above ENSO complexity, a mutual order seems to be inherent to the ENSO time series and their spectra. This order reveals itself in the existence of a scaling of the power spectrum peaks and respective rhythms in the ENSO dynamics that look like the power spectrum and dynamics of the SNA. It means there are no limits to forecast ENSO, in principle. In practice, it opens a possibility to forecast ENSO for several years ahead. Global spatial structures of anomalies during El Niño and power spectra of ENSO indices from re-analyses are compared with the respective output quantities in the CMIP5 climate models (the Historical experiment). It is found that the models reproduce global spatial structures of the near surface temperature and sea level pressure anomalies during El Niño very similar to these fields in the re-analyses considered. But the power spectra of the ENSO indices from the CMIP5 models show no peaks at the same periods as the re-analyses power spectra. We suppose that it is possible to improve modeled

  1. High-resolution structural and elemental analyses of calcium storage structures synthesized by the noble crayfish Astacus astacus.

    Science.gov (United States)

    Luquet, Gilles; Salomé, Murielle; Ziegler, Andreas; Paris, Céline; Percot, Aline; Dauphin, Yannicke

    2016-11-01

    During premolt, crayfish develop deposits of calcium ions, called gastroliths, in their stomach wall. The stored calcium is used for the calcification of parts of the skeleton regularly renewed for allowing growth. Structural and molecular analyses of gastroliths have been primarily performed on three crayfish species, Orconectes virilis, Procambarus clarkii, and more recently, Cherax quadricarinatus. We have performed high-resolution analyses of gastroliths from the native noble crayfish, Astacus astacus, focusing on the microstructure, the mineralogical and elemental composition and distribution in a comparative perspective. Field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM) observations showed a classical layered microstructure composed of 200-nm diameter granules aligned along fibers. These granules are themselves composed of agglomerated nanogranules of 50nm-mean diameters. Denser regions of bigger fused granules are also present. Micro-Raman spectroscopy show that if A. astacus gastroliths, similarly to the other analyzed gastroliths, are mainly composed of amorphous calcium carbonate (ACC), they are also rich in amorphous calcium phosphate (ACP). The presence of a carotenoid pigment is also observed in A. astacus gastrolith contrary to C. quadricarinatus. Energy-dispersive X-ray spectroscopy (EDX) analyses demonstrate the presence of minor elements such as Mg, Sr, Si and P. The distribution of this last element is particularly heterogeneous. X-ray absorption near edge structure spectroscopy (XANES) reveals an alternation of layers more or less rich in phosphorus evidenced in the mineral phase as well as in the organic matrix in different molecular forms. Putative functions of the different P-comprising molecules are discussed.

  2. Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.

    Science.gov (United States)

    Asojo, Oluwatoyin A; Nelson, Sarah K; Mootien, Sara; Lee, Yashang; Rezende, Wanderson C; Hyman, Daniel A; Matsumoto, Monica M; Reiling, Scott; Kelleher, Alan; Ledizet, Michel; Koski, Raymond A; Anthony, Karen G

    2014-07-01

    Clostridium difficile, a Gram-positive, spore-forming anaerobic bacterium, is the leading cause of infectious diarrhea among hospitalized patients. C. difficile is frequently associated with antibiotic treatment, and causes diseases ranging from antibiotic-associated diarrhea to life-threatening pseudomembranous colitis. The severity of C. difficile infections is exacerbated by the emergence of hypervirulent and multidrug-resistant strains, which are difficult to treat and are often associated with increased mortality rates. Alanine racemase (Alr) is a pyridoxal-5'-phosphate (PLP)-dependent enzyme that catalyzes the reversible racemization of L- and D-alanine. Since D-alanine is an essential component of the bacterial cell-wall peptidoglycan, and there are no known Alr homologs in humans, this enzyme is being tested as an antibiotic target. Cycloserine is an antibiotic that inhibits Alr. In this study, the catalytic properties and crystal structures of recombinant Alr from the virulent and multidrug-resistant C. difficile strain 630 are presented. Three crystal structures of C. difficile Alr (CdAlr), corresponding to the complex with PLP, the complex with cycloserine and a K271T mutant form of the enzyme with bound PLP, are presented. The structures are prototypical Alr homodimers with two active sites in which the cofactor PLP and cycloserine are localized. Kinetic analyses reveal that the K271T mutant CdAlr has the highest catalytic constants reported to date for any Alr. Additional studies are needed to identify the basis for the high catalytic activity. The structural and activity data presented are first steps towards using CdAlr for the development of structure-based therapeutics for C. difficile infections.

  3. Identification of a herbal powder by deoxyribonucleic acid barcoding and structural analyses

    Directory of Open Access Journals (Sweden)

    Bhavisha P Sheth

    2015-01-01

    DNA barcoding and protein structural analyses could be adopted, as a novel rapid and economic procedure, especially in cases when protein coding loci are considered.

  4. Mechanistic Insights from Structural Analyses of Ran-GTPase-Driven Nuclear Export of Proteins and RNAs.

    Science.gov (United States)

    Matsuura, Yoshiyuki

    2016-05-22

    Understanding how macromolecules are rapidly exchanged between the nucleus and the cytoplasm through nuclear pore complexes is a fundamental problem in biology. Exportins are Ran-GTPase-dependent nuclear transport factors that belong to the karyopherin-β family and mediate nuclear export of a plethora of proteins and RNAs, except for bulk mRNA nuclear export. Exportins bind cargo macromolecules in a Ran-GTP-dependent manner in the nucleus, forming exportin-cargo-Ran-GTP complexes (nuclear export complexes). Transient weak interactions between exportins and nucleoporins containing characteristic FG (phenylalanine-glycine) repeat motifs facilitate nuclear pore complex passage of nuclear export complexes. In the cytoplasm, nuclear export complexes are disassembled, thereby releasing the cargo. GTP hydrolysis by Ran promoted in the cytoplasm makes the disassembly reaction virtually irreversible and provides thermodynamic driving force for the overall export reaction. In the past decade, X-ray crystallography of some of the exportins in various functional states coupled with functional analyses, single-particle electron microscopy, molecular dynamics simulations, and small-angle solution X-ray scattering has provided rich insights into the mechanism of cargo binding and release and also begins to elucidate how exportins interact with the FG repeat motifs. The knowledge gained from structural analyses of nuclear export is being translated into development of clinically useful inhibitors of nuclear export to treat human diseases such as cancer and influenza.

  5. Impact of reading habit on white matter structure: Cross-sectional and longitudinal analyses.

    Science.gov (United States)

    Takeuchi, Hikaru; Taki, Yasuyuki; Hashizume, Hiroshi; Asano, Kohei; Asano, Michiko; Sassa, Yuko; Yokota, Susumu; Kotozaki, Yuka; Nouchi, Rui; Kawashima, Ryuta

    2016-06-01

    Psychological studies showed the quantity of reading habit affects the development of their reading skills, various language skills, and knowledge. However, despite a vast amount of literature, the effects of reading habit on the development of white matter (WM) structures critical to language and reading processes have never been investigated. In this study, we used the fractional anisotropy (FA) measure of diffusion tensor imaging to measure WM microstructural properties and examined cross-sectional and longitudinal correlations between reading habit and FA of the WM bundles in a large sample of normal children. In both cross-sectional and longitudinal analyses, we found that greater strength of reading habit positively affected FA in the left arcuate fasciculus (AF), in the left inferior fronto-occipital fasciculus (IFOF), and in the left posterior corona radiata (PCR). Consistent with previous studies, we also confirmed the significance or a tendency for positive correlation between the strength of reading habit and the Verbal Comprehension score in cross-sectional and longitudinal analyses. These cross-sectional and longitudinal findings indicate that a healthy reading habit may be directly or indirectly associated with the advanced development of WM critical to reading and language processes. Future intervention studies are needed to determine the causal effects of reading habits on WM in normal children.

  6. Analyses of Markov decision process structure regarding the possible strategic use of interacting memory systems

    Directory of Open Access Journals (Sweden)

    Eric A Zilli

    2008-12-01

    Full Text Available Behavioral tasks are often used to study the different memory systems present in humans and animals. Such tasks are usually designed to isolate and measure some aspect of a single memory system. However, it is not necessarily clear that any given task actually does isolate a system or that the strategy used by a subject in the experiment is the one desired by the experimenter. We have previously shown that when tasks are written mathematically as a form of partially-observable Markov decision processes, the structure of the tasks provide information regarding the possible utility of certain memory systems. These previous analyses dealt with the disambiguation problem: given a specific ambiguous observation of the environment, is there information provided by a given memory strategy that can disambiguate that observation to allow a correct decisionµ Here we extend this approach to cases where multiple memory systems can be strategically combined in different ways. Specifically, we analyze the disambiguation arising from three ways by which episodic-like memory retrieval might be cued (by another episodic-like memory, by a semantic association, or by working memory for some earlier observation. We also consider the disambiguation arising from holding earlier working memories, episodic-like memories or semantic associations in working memory. From these analyses we can begin to develop a quantitative hierarchy among memory systems in which stimulus-response memories and semantic associations provide no disambiguation while the episodic memory system provides the most flexible

  7. Analyses of Markov decision process structure regarding the possible strategic use of interacting memory systems.

    Science.gov (United States)

    Zilli, Eric A; Hasselmo, Michael E

    2008-01-01

    Behavioral tasks are often used to study the different memory systems present in humans and animals. Such tasks are usually designed to isolate and measure some aspect of a single memory system. However, it is not necessarily clear that any given task actually does isolate a system or that the strategy used by a subject in the experiment is the one desired by the experimenter. We have previously shown that when tasks are written mathematically as a form of partially observable Markov decision processes, the structure of the tasks provide information regarding the possible utility of certain memory systems. These previous analyses dealt with the disambiguation problem: given a specific ambiguous observation of the environment, is there information provided by a given memory strategy that can disambiguate that observation to allow a correct decision? Here we extend this approach to cases where multiple memory systems can be strategically combined in different ways. Specifically, we analyze the disambiguation arising from three ways by which episodic-like memory retrieval might be cued (by another episodic-like memory, by a semantic association, or by working memory for some earlier observation). We also consider the disambiguation arising from holding earlier working memories, episodic-like memories or semantic associations in working memory. From these analyses we can begin to develop a quantitative hierarchy among memory systems in which stimulus-response memories and semantic associations provide no disambiguation while the episodic memory system provides the most flexible disambiguation, with working memory at an intermediate level.

  8. Crystal Structure Analyses of the Fosmidomycin-Target Enzyme from Plasmodium Falciparum

    Science.gov (United States)

    Umeda, Tomonobu; Kusakabe, Yoshio; Tanaka, Nobutada

    The human malaria parasite Plasmodium falciparum is responsible for the death of more than a million people each year. Fosmidomycin has proved to be efficient in the treatment of P. falciparum malaria through the inhibition of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR), an enzyme of the non-mevalonate pathway of isoprenoid biosynthesis, which is absent in humans. Crystal structure analyses of P. falciparum DXR (PfDXR) revealed that (i) an intrinsic flexibility of the PfDXR molecule accounts for the induced-fit movement to accommodate the bound inhibitor in the active site, and (ii) a cis arrangement of the oxygen atoms of the hydroxamate group of the bound inhibitor is essential for tight binding of the inhibitor to the active site metal. We believe that our study will serve as a useful guide to develop more potent PfDXR inhibitors.

  9. Haplotype association analyses in resources of mixed structure using Monte Carlo testing

    Directory of Open Access Journals (Sweden)

    Thomas Alun

    2010-12-01

    Full Text Available Abstract Background Genomewide association studies have resulted in a great many genomic regions that are likely to harbor disease genes. Thorough interrogation of these specific regions is the logical next step, including regional haplotype studies to identify risk haplotypes upon which the underlying critical variants lie. Pedigrees ascertained for disease can be powerful for genetic analysis due to the cases being enriched for genetic disease. Here we present a Monte Carlo based method to perform haplotype association analysis. Our method, hapMC, allows for the analysis of full-length and sub-haplotypes, including imputation of missing data, in resources of nuclear families, general pedigrees, case-control data or mixtures thereof. Both traditional association statistics and transmission/disequilibrium statistics can be performed. The method includes a phasing algorithm that can be used in large pedigrees and optional use of pseudocontrols. Results Our new phasing algorithm substantially outperformed the standard expectation-maximization algorithm that is ignorant of pedigree structure, and hence is preferable for resources that include pedigree structure. Through simulation we show that our Monte Carlo procedure maintains the correct type 1 error rates for all resource types. Power comparisons suggest that transmission-disequilibrium statistics are superior for performing association in resources of only nuclear families. For mixed structure resources, however, the newly implemented pseudocontrol approach appears to be the best choice. Results also indicated the value of large high-risk pedigrees for association analysis, which, in the simulations considered, were comparable in power to case-control resources of the same sample size. Conclusions We propose hapMC as a valuable new tool to perform haplotype association analyses, particularly for resources of mixed structure. The availability of meta-association and haplotype-mining modules in

  10. Structural and biochemical analyses of a Clostridium perfringens sortase D transpeptidase

    Energy Technology Data Exchange (ETDEWEB)

    Suryadinata, Randy, E-mail: randy.suryadinata@csiro.au; Seabrook, Shane A.; Adams, Timothy E.; Nuttall, Stewart D.; Peat, Thomas S., E-mail: randy.suryadinata@csiro.au [Commonwealth Scientific and Industrial Research Organisation, 343 Royal Parade, Parkville, Victoria 3052 (Australia)

    2015-06-30

    The structure of C. perfringens sortase D was determined at 1.99 Å resolution. Comparative biochemical and structural analyses revealed that this transpeptidase may represent a new subclass of the sortase D family. The assembly and anchorage of various pathogenic proteins on the surface of Gram-positive bacteria is mediated by the sortase family of enzymes. These cysteine transpeptidases catalyze a unique sorting signal motif located at the C-terminus of their target substrate and promote the covalent attachment of these proteins onto an amino nucleophile located on another protein or on the bacterial cell wall. Each of the six distinct classes of sortases displays a unique biological role, with sequential activation of multiple sortases often observed in many Gram-positive bacteria to decorate their peptidoglycans. Less is known about the members of the class D family of sortases (SrtD), but they have a suggested role in spore formation in an oxygen-limiting environment. Here, the crystal structure of the SrtD enzyme from Clostridium perfringens was determined at 1.99 Å resolution. Comparative analysis of the C. perfringens SrtD structure reveals the typical eight-stranded β-barrel fold observed in all other known sortases, along with the conserved catalytic triad consisting of cysteine, histidine and arginine residues. Biochemical approaches further reveal the specifics of the SrtD catalytic activity in vitro, with a significant preference for the LPQTGS sorting motif. Additionally, the catalytic activity of SrtD is most efficient at 316 K and can be further improved in the presence of magnesium cations. Since C. perfringens spores are heat-resistant and lead to foodborne illnesses, characterization of the spore-promoting sortase SrtD may lead to the development of new antimicrobial agents.

  11. Trophic structure in a seabird host-parasite food web: insights from stable isotope analyses.

    Directory of Open Access Journals (Sweden)

    Elena Gómez-Díaz

    Full Text Available Ecological studies on food webs rarely include parasites, partly due to the complexity and dimensionality of host-parasite interaction networks. Multiple co-occurring parasites can show different feeding strategies and thus lead to complex and cryptic trophic relationships, which are often difficult to disentangle by traditional methods. We analyzed stable isotope ratios of C ((13C/(12C, delta(13C and N ((15N/(14N, delta(15N of host and ectoparasite tissues to investigate trophic structure in 4 co-occurring ectoparasites: three lice and one flea species, on two closely related and spatially segregated seabird hosts (Calonectris shearwaters. delta(13C isotopic signatures confirmed feathers as the main food resource for the three lice species and blood for the flea species. All ectoparasite species showed a significant enrichment in delta(15N relatively to the host tissue consumed (discrimination factors ranged from 2 to 5 per thousand depending on the species. Isotopic differences were consistent across multiple host-ectoparasite locations, despite of some geographic variability in baseline isotopic levels. Our findings illustrate the influence of both ectoparasite and host trophic ecology in the isotopic structuring of the Calonectris ectoparasite community. This study highlights the potential of stable isotope analyses in disentangling the nature and complexity of trophic relationships in symbiotic systems.

  12. Analyses of the Sequence and Structural Properties Corresponding to Pentapeptide and Large Palindromes in Proteins.

    Directory of Open Access Journals (Sweden)

    Settu Sridhar

    Full Text Available The analyses of 3967 representative proteins selected from the Protein Data Bank revealed the presence of 2803 pentapeptide and large palindrome sequences with known secondary structure conformation. These represent 2014 unique palindrome sequences. 60% palindromes are not associated with any regular secondary structure and 28% are in helix conformation, 11% in strand conformation and 1% in the coil conformation. The average solvent accessibility values are in the range between 0-155.28 Å2 suggesting that the palindromes in proteins can be either buried, exposed to the solvent or share an intermittent property. The number of residue neighborhood contacts defined by interactions ≤ 3.2 Ǻ is in the range between 0-29 residues. Palindromes of the same length in helix, strand and coil conformation are associated with different amino acid residue preferences at the individual positions. Nearly, 20% palindromes interact with catalytic/active site residues, ligand or metal ions in proteins and may therefore be important for function in the corresponding protein. The average hydrophobicity values for the pentapeptide and large palindromes range between -4.3 to +4.32 and the number of palindromes is almost equally distributed between the negative and positive hydrophobicity values. The palindromes represent 107 different protein families and the hydrolases, transferases, oxidoreductases and lyases contain relatively large number of palindromes.

  13. Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter

    Energy Technology Data Exchange (ETDEWEB)

    Deka, Ranjit K.; Brautigam, Chad A.; Goldberg, Martin; Schuck, Peter; Tomchick, Diana R.; Norgard, Michael V. (NIH); (UTSMC)

    2012-05-25

    Treponema pallidum, the bacterial agent of syphilis, is predicted to encode one tripartite ATP-independent periplasmic transporter (TRAP-T). TRAP-Ts typically employ a periplasmic substrate-binding protein (SBP) to deliver the cognate ligand to the transmembrane symporter. Herein, we demonstrate that the genes encoding the putative TRAP-T components from T. pallidum, tp0957 (the SBP), and tp0958 (the symporter), are in an operon with an uncharacterized third gene, tp0956. We determined the crystal structure of recombinant Tp0956; the protein is trimeric and perforated by a pore. Part of Tp0956 forms an assembly similar to those of 'tetratricopeptide repeat' (TPR) motifs. The crystal structure of recombinant Tp0957 was also determined; like the SBPs of other TRAP-Ts, there are two lobes separated by a cleft. In these other SBPs, the cleft binds a negatively charged ligand. However, the cleft of Tp0957 has a strikingly hydrophobic chemical composition, indicating that its ligand may be substantially different and likely hydrophobic. Analytical ultracentrifugation of the recombinant versions of Tp0956 and Tp0957 established that these proteins associate avidly. This unprecedented interaction was confirmed for the native molecules using in vivo cross-linking experiments. Finally, bioinformatic analyses suggested that this transporter exemplifies a new subfamily of TPATs (TPR-protein-associated TRAP-Ts) that require the action of a TPR-containing accessory protein for the periplasmic transport of a potentially hydrophobic ligand(s).

  14. Effects of topography and surface roughness in analyses of landscape structure

    Directory of Open Access Journals (Sweden)

    S. Hoechstetter

    2008-02-01

    Full Text Available Topography and relief variability play a key role in ecosystem functioning and structuring. However, the most commonly used concept to relate pattern to process in landscape ecology, the so-called patch-corridor-matrix model, perceives the landscape as a planimetric surface. As a consequence, landscape metrics, used as numerical descriptors of the spatial arrangement of landscape mosaics, generally do not allow for the examination of terrain characteristics and may even produce erroneous results, especially in mountainous areas. This brief methodological study provides basic approaches to include relief properties into large-scale landscape analyses, including the calculation of standard landscape metrics on the basis of “true” surface geometries and the application of roughness parameters derived from surface metrology. The methods are tested for their explanatory power using neutral landscapes and simulated elevation models. The results reveal that area and distance metrics possess a high sensitivity to terrain complexity, while the values of shape metrics change only slightly when surface geometries are considered for their calculation. In summary, the proposed methods prove to be a valuable extension of the existing set of metrics mainly in “rough” landscape sections, allowing for a more realistic assessment of the spatial structure

  15. Tackling pseudosymmetry problems in electron backscatter diffraction (EBSD) analyses of perovskite structures

    Science.gov (United States)

    Mariani, Elisabetta; Kaercher, Pamela; Mecklenburgh, Julian; Wheeler, John

    2016-04-01

    Perovskite minerals form an important mineral group that has applications in Earth science and emerging alternative energy technologies, however crystallographic quantification of these minerals with electron backscatter diffraction (EBSD) is not accurate due to pseudosymmetry problems. The silicate perovskite Bridgmanite, (Mg,Fe)SiO3, is understood to be the dominant phase in the Earth's lower mantle. Gaining insight into its physical and rheological properties is therefore vital to understand the dynamics of the Earth's deep interior. Rock deformation experiments on analogue perovskite phases, for example (Ca,Sr)TiO3, combined with quantitative microstructural analyses of the recovered samples by EBSD, yield datasets that can reveal what deformation mechanisms may dominate the flow of perovskite in the lower mantle. Additionally, perovskite structures have important technological applications as new, suitable cathodes for the operation of more efficient and environmentally-friendly solid oxide fuel cells (SOFC). In recent years they have also been recognised as a potential substitute for silicon in the next generation of photovoltaic cells for the construction of economic and energy efficient solar panels. EBSD has the potential to be a valuable tool for the study of crystal orientations achieved in perovskite substrates as crystal alignment has a direct control on the properties of these materials. However, perovskite structures currently present us with challenges during the automated indexing of Kikuchi bands in electron backscatter diffraction patterns (EBSPs). Such challenges are represented by the pseudosymmetric character of perovskites, where atoms are subtly displaced (0.005 nm to 0.05 nm) from their higher symmetry positions. In orthorhombic Pbnm perovskites, for example, pseudosymmetry may be evaluated from the c/a unit cell parameter ratio, which is very close to 1. Two main types of distortions from the higher symmetry structure are recognised: a

  16. Thermo-mechanical finite element analyses of bolted cask lid structures

    Energy Technology Data Exchange (ETDEWEB)

    Wieser, G.; Qiao Linan; Eberle, A.; Voelzke, H. [Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin (Germany)

    2004-07-01

    The analysis of complex bolted cask lid structures under mechanical or thermal accident conditions is important for the evaluation of cask integrity and leak-tightness in package design assessment according to the Transport Regulations or in aircraft crash scenarios. In this context BAM is developing methods based on Finite Elements to calculate the effects of mechanical impacts onto the bolted lid structures as well as effects caused by severe fire scenarios. I n case of fire it might be not enough to perform only a thermal heat transfer analysis. The complex cask design in connection with a severe hypothetical time-temperature-curve representing an accident fire scenario will create a strong transient heating up of the cask body and its lid system. This causes relative displacements between the seals and its counterparts that can be analyzed by a so-called thermo-mechanical calculation. Although it is currently not possible to correlate leakage rates with results from deformation analyses directly an appropriate Finite Element model of the considered type of metallic lid seal has been developed. For the present it is possible to estimate the behaviour of the seal based on the calculated relative displacements at its seating and the behaviour of the lid bolts under the impact load or the temperature field respectively. Except of the lid bolts the geometry of the cask and the mechanical loading is axial-symmetric which simplifies the analysis considerably and a two-dimensional Finite Element model with substitute lid bolts may be used. The substitute bolts are modelled as one-dimensional truss or beam elements. An advanced two-dimensional bolt submodel represents the bolts with plane stress continuum elements. This paper discusses the influence of different bolt modelling on the relative displacements at the seating of the seals. Besides this, the influence of bolt modelling, thermal properties and detail in geometry of the two-dimensional Finite Element models on

  17. Some applications related to the structural integrity analyses of CANDU 6 pressure tubes

    Energy Technology Data Exchange (ETDEWEB)

    Radu, V.S. [Inst. for Nuclear Research Pitesti, Pitesti (Romania)]. E-mail: vradu@nuclear.ro

    2006-07-01

    The flaws found during in-service inspection of Zr-2.5%Nb CANDU pressure tubes include fuel bundle bearing pad fretting flaws and debrise fretting flaws. In-service flaws are evaluated using fitness-for-service procedures to justify continued operation of pressure tube containing the flaw. The flaw evaluation procedures address crack initiation due to Delayed Hydride Cracking (DHC) under constant loading and also address fracture initiation and plastic collapse. The paper presents some applications related to the influence of the residual hoop stresses at roll-expanded joint region into stainless steel fittings at both ends on the structural integrity evaluation in the presence of blunt flaws. Two cases of blunt flaws were considered for evaluation: fuel bundle bearing pad fretting flaws and debrise fretting flaws. The blunt flaw geometry modeling and stress-strain analyses were performed by means finite element method (FEM) with FEA-Flaw computer code. The allowable peak flaw-tip stress and the Failure Assessment Diagram (FAD) for DHC initiation criterion were used for integrity assessment for the mentioned blunt flaws. Applications are performed as part of the research program address to evaluation of the in-service inspection results of the fuel channels from Cernavoda NPP. (author)

  18. Family structure and posttraumatic stress reactions: a longitudinal study using multilevel analyses

    Directory of Open Access Journals (Sweden)

    Nygaard Egil

    2011-12-01

    Full Text Available Abstract Background There is limited research on the relevance of family structures to the development and maintenance of posttraumatic stress following disasters. We longitudinally studied the effects of marital and parental statuses on posttraumatic stress reactions after the 2004 Southeast Asian tsunami and whether persons in the same households had more shared stress reactions than others. Method The study included a tourist population of 641 Norwegian adult citizens, many of them from families with children. We measured posttraumatic stress symptoms with the Impact of Event Scale-Revised at 6 months and 2 years post-disaster. Analyses included multilevel methods with mixed effects models. Results Results showed that neither marital nor parental status was significantly related to posttraumatic stress. At both assessments, adults living in the same household reported levels of posttraumatic stress that were more similar to one another than adults who were not living together. Between households, disaster experiences were closely related to the variance in posttraumatic stress symptom levels at both assessments. Within households, however, disaster experiences were less related to the variance in symptom level at 2 years than at 6 months. Conclusions These results indicate that adult household members may influence one another's posttraumatic stress reactions as well as their interpretations of the disaster experiences over time. Our findings suggest that multilevel methods may provide important information about family processes after disasters.

  19. University Students' Knowledge Structures and Informal Reasoning on the Use of Genetically Modified Foods: Multidimensional Analyses

    Science.gov (United States)

    Wu, Ying-Tien

    2013-01-01

    This study aims to provide insights into the role of learners' knowledge structures about a socio-scientific issue (SSI) in their informal reasoning on the issue. A total of 42 non-science major university students' knowledge structures and informal reasoning were assessed with multidimensional analyses. With both qualitative and…

  20. Energetic, Structural, and Antimicrobial Analyses of [beta]-Lactam Side Chain Recognition by [beta]-Lactamases

    Energy Technology Data Exchange (ETDEWEB)

    Caselli, E.; Powers, R.A.; Blaszczak, L.C.; Wu, C.Y.E.; Prati, F.; Shoichet, B.K. (NWU)

    2010-03-05

    Penicillins and cephalosporins are among the most widely used and successful antibiotics. The emergence of resistance to these {beta}-lactams, most often through bacterial expression of {beta}-lactamases, threatens public health. To understand how {beta}-lactamases recognize their substrates, it would be helpful to know their binding energies. Unfortunately, these have been difficult to measure because {beta}-lactams form covalent adducts with {beta}-lactamases. This has complicated functional analyses and inhibitor design. To investigate the contribution to interaction energy of the key amide (R1) side chain of {beta}-lactam antibiotics, eight acylglycineboronic acids that bear the side chains of characteristic penicillins and cephalosporins, as well as four other analogs, were synthesized. These transition-state analogs form reversible adducts with serine {beta}-lactamases. Therefore, binding energies can be calculated directly from K{sub i} values. The K{sub i} values measured span four orders of magnitude against the Group I {beta}-lactamase AmpC and three orders of magnitude against the Group II {beta}-lactamase TEM-1. The acylglycineboronic acids have K{sub i} values as low as 20 nM against AmpC and as low as 390 nM against TEM-1. The inhibitors showed little activity against serine proteases, such as chymotrypsin. R1 side chains characteristic of {beta}-lactam inhibitors did not have better affinity for AmpC than did side chains characteristic of {beta}-lactam substrates. Two of the inhibitors reversed the resistance of pathogenic bacteria to {beta}-lactams in cell culture. Structures of two inhibitors in their complexes with AmpC were determined by X-ray crystallography to 1.90 {angstrom} and 1.75 {angstrom} resolution; these structures suggest interactions that are important to the affinity of the inhibitors. Acylglycineboronic acids allow us to begin to dissect interaction energies between {beta}-lactam side chains and {beta}-lactamases. Surprisingly

  1. ANALYSES OF WIND STRUCTURE OF TYPHOON FUNG-WONG (2008) AND ITS RELATION TO PRECIPITATION REGION

    Institute of Scientific and Technical Information of China (English)

    ZHOU Yu-shu; LIU Li-ping

    2009-01-01

    Using real analysis data of 1°×1° resolution of the National Center for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR), the nondivergent wind component and irrotational wind component obtained by the harmonic-cosine(H-C) method, and the wind structure of Typhoon Fung-Wong (coded 0808 in China) in 2008 was analyzed. The results indicated that the irrotational component was advantageous over the total wind in reflecting both the changes in convergent height and the asymmetrical convergence of Fung-Wong. In Fung-Wong, the nondivergent component was larger than the irrotational component, but the latter was much more variable than the former, which was obtained only from the wind partition method. Further analyses on the irrotational component demonstrated that the location of the convergent center at lower levels was almost the same as the divergent center during the development of Fung-Wong, and its convergent level was high in its life cycle, with the most highest up to 400 hPa when it became stronger. After the typhoon landed in the provinces of Taiwan and Fujian, respectively, its convergent center at lower levels was slowly detached from the divergent center at high levels and the convergent height was also depressed from high levels to lower levels. Gradually, this weakened the intensity of Fung-Wong. This kind of weakening was slow and Fung-Wong maintained its circulation for a long time over land because of its very thick convergent height. Analyses on wind partitioning provided one possible explanation to why Fung-Wong stayed for a long time after it landed. Furthermore, the asymmetric vertical ascending motion was induced by the asymmetric convergence at lower levels. In general, when typhoons (such as Fung-Wong) land, the rainfall region coincides with that of the convergence region (indicated by the irrotational component at lower layers). This means that the possible rainfall regions may be diagnosed from the convergent

  2. Characterization of bud emergence 46 (BEM46) protein: Sequence, structural, phylogenetic and subcellular localization analyses

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Abhishek; Kollath-Leiß, Krisztina; Kempken, Frank, E-mail: fkempken@bot.uni-kiel.de

    2013-08-30

    Highlights: •All eukaryotes have at least a single copy of a bem46 ortholog. •The catalytic triad of BEM46 is illustrated using sequence and structural analysis. •We identified indels in the conserved domain of BEM46 protein. •Localization studies of BEM46 protein were carried out using GFP-fusion tagging. -- Abstract: The bud emergence 46 (BEM46) protein from Neurospora crassa belongs to the α/β-hydrolase superfamily. Recently, we have reported that the BEM46 protein is localized in the perinuclear ER and also forms spots close by the plasma membrane. The protein appears to be required for cell type-specific polarity formation in N. crassa. Furthermore, initial studies suggested that the BEM46 amino acid sequence is conserved in eukaryotes and is considered to be one of the widespread conserved “known unknown” eukaryotic genes. This warrants for a comprehensive phylogenetic analysis of this superfamily to unravel origin and molecular evolution of these genes in different eukaryotes. Herein, we observe that all eukaryotes have at least a single copy of a bem46 ortholog. Upon scanning of these proteins in various genomes, we find that there are expansions leading into several paralogs in vertebrates. Usingcomparative genomic analyses, we identified insertion/deletions (indels) in the conserved domain of BEM46 protein, which allow to differentiate fungal classes such as ascomycetes from basidiomycetes. We also find that exonic indels are able to differentiate BEM46 homologs of different eukaryotic lineage. Furthermore, we unravel that BEM46 protein from N. crassa possess a novel endoplasmic-retention signal (PEKK) using GFP-fusion tagging experiments. We propose that three residues namely a serine 188S, a histidine 292H and an aspartic acid 262D are most critical residues, forming a catalytic triad in BEM46 protein from N. crassa. We carried out a comprehensive study on bem46 genes from a molecular evolution perspective with combination of functional

  3. Comparative genome analyses reveal distinct structure in the saltwater crocodile MHC.

    Science.gov (United States)

    Jaratlerdsiri, Weerachai; Deakin, Janine; Godinez, Ricardo M; Shan, Xueyan; Peterson, Daniel G; Marthey, Sylvain; Lyons, Eric; McCarthy, Fiona M; Isberg, Sally R; Higgins, Damien P; Chong, Amanda Y; John, John St; Glenn, Travis C; Ray, David A; Gongora, Jaime

    2014-01-01

    The major histocompatibility complex (MHC) is a dynamic genome region with an essential role in the adaptive immunity of vertebrates, especially antigen presentation. The MHC is generally divided into subregions (classes I, II and III) containing genes of similar function across species, but with different gene number and organisation. Crocodylia (crocodilians) are widely distributed and represent an evolutionary distinct group among higher vertebrates, but the genomic organisation of MHC within this lineage has been largely unexplored. Here, we studied the MHC region of the saltwater crocodile (Crocodylus porosus) and compared it with that of other taxa. We characterised genomic clusters encompassing MHC class I and class II genes in the saltwater crocodile based on sequencing of bacterial artificial chromosomes. Six gene clusters spanning ∼452 kb were identified to contain nine MHC class I genes, six MHC class II genes, three TAP genes, and a TRIM gene. These MHC class I and class II genes were in separate scaffold regions and were greater in length (2-6 times longer) than their counterparts in well-studied fowl B loci, suggesting that the compaction of avian MHC occurred after the crocodilian-avian split. Comparative analyses between the saltwater crocodile MHC and that from the alligator and gharial showed large syntenic areas (>80% identity) with similar gene order. Comparisons with other vertebrates showed that the saltwater crocodile had MHC class I genes located along with TAP, consistent with birds studied. Linkage between MHC class I and TRIM39 observed in the saltwater crocodile resembled MHC in eutherians compared, but absent in avian MHC, suggesting that the saltwater crocodile MHC appears to have gene organisation intermediate between these two lineages. These observations suggest that the structure of the saltwater crocodile MHC, and other crocodilians, can help determine the MHC that was present in the ancestors of archosaurs.

  4. Comparative genome analyses reveal distinct structure in the saltwater crocodile MHC.

    Directory of Open Access Journals (Sweden)

    Weerachai Jaratlerdsiri

    Full Text Available The major histocompatibility complex (MHC is a dynamic genome region with an essential role in the adaptive immunity of vertebrates, especially antigen presentation. The MHC is generally divided into subregions (classes I, II and III containing genes of similar function across species, but with different gene number and organisation. Crocodylia (crocodilians are widely distributed and represent an evolutionary distinct group among higher vertebrates, but the genomic organisation of MHC within this lineage has been largely unexplored. Here, we studied the MHC region of the saltwater crocodile (Crocodylus porosus and compared it with that of other taxa. We characterised genomic clusters encompassing MHC class I and class II genes in the saltwater crocodile based on sequencing of bacterial artificial chromosomes. Six gene clusters spanning ∼452 kb were identified to contain nine MHC class I genes, six MHC class II genes, three TAP genes, and a TRIM gene. These MHC class I and class II genes were in separate scaffold regions and were greater in length (2-6 times longer than their counterparts in well-studied fowl B loci, suggesting that the compaction of avian MHC occurred after the crocodilian-avian split. Comparative analyses between the saltwater crocodile MHC and that from the alligator and gharial showed large syntenic areas (>80% identity with similar gene order. Comparisons with other vertebrates showed that the saltwater crocodile had MHC class I genes located along with TAP, consistent with birds studied. Linkage between MHC class I and TRIM39 observed in the saltwater crocodile resembled MHC in eutherians compared, but absent in avian MHC, suggesting that the saltwater crocodile MHC appears to have gene organisation intermediate between these two lineages. These observations suggest that the structure of the saltwater crocodile MHC, and other crocodilians, can help determine the MHC that was present in the ancestors of archosaurs.

  5. Kinetic and structural analyses for the formation of anatase nanocrystals in barium titanoborate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jong Youn; Sung, Yun-Mo, E-mail: ymsung@korea.ac.kr

    2015-10-25

    Transparent barium titanoborate glass-ceramics bearing TiO{sub 2} (anantase) nanocrystals were prepared by the conventional melt-quenching and subsequent heat treatment of 35BaO–xTiO{sub 2}–110B{sub 2}O{sub 3} (in mol) (x = 20, 25, and 30) glasses. X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) results clearly reveal the formation of highly-crystalline anatase nanocrystals in glass matrices. The average crystal size ranges from ∼10 to 20 nm according to TiO{sub 2} contents. Non-isothermal kinetic analyses were performed to understand the crystallization behavior of each glass using differential scanning calorimetry (DSC) scan curves. With the increase of TiO{sub 2} contents in the glass, the crystallization peak temperature of TiO{sub 2} decreases, while the activation energy for crystallization increases. We propose a possible mechanism for the formation of TiO{sub 2} nanocrystals based upon kinetic analysis results and structural changes in barium titanoborate glass matrices according to TiO{sub 2} contents. The nanocrystalline glass-ceramics show ∼60–75% visible light transmittance and sharp UV-light absorption edges at ∼387 nm, corresponding to the energy band gap of anatase (3.2 eV). They show apparent photocatalytic properties and ∼70% of methylene blue solution was decomposed within 180 min. - Highlights: • The first report on the TiO{sub 2} nanocrystal formation mechanism in borate glasses. • TiO{sub 2} seems not to be involved in the borate glass network forming. • Crystallization temperature increases and activation E decreases with TiO{sub 2} content. • Increasing number of non-bridging oxygens affect the crystallization kinetics. • UV-light blocking and photocatalytic properties were identified for glass-ceramics.

  6. CALCMIN - an EXCEL™ Visual Basic application for calculating mineral structural formulae from electron microprobe analyses

    Science.gov (United States)

    Brandelik, Andreas

    2009-07-01

    CALCMIN, an open source Visual Basic program, was implemented in EXCEL™. The program was primarily developed to support geoscientists in their routine task of calculating structural formulae of minerals on the basis of chemical analysis mainly obtained by electron microprobe (EMP) techniques. Calculation programs for various minerals are already included in the form of sub-routines. These routines are arranged in separate modules containing a minimum of code. The architecture of CALCMIN allows the user to easily develop new calculation routines or modify existing routines with little knowledge of programming techniques. By means of a simple mouse-click, the program automatically generates a rudimentary framework of code using the object model of the Visual Basic Editor (VBE). Within this framework simple commands and functions, which are provided by the program, can be used, for example, to perform various normalization procedures or to output the results of the computations. For the clarity of the code, element symbols are used as variables initialized by the program automatically. CALCMIN does not set any boundaries in complexity of the code used, resulting in a wide range of possible applications. Thus, matrix and optimization methods can be included, for instance, to determine end member contents for subsequent thermodynamic calculations. Diverse input procedures are provided, such as the automated read-in of output files created by the EMP. Furthermore, a subsequent filter routine enables the user to extract specific analyses in order to use them for a corresponding calculation routine. An event-driven, interactive operating mode was selected for easy application of the program. CALCMIN leads the user from the beginning to the end of the calculation process.

  7. Probabilistic analysis of aircraft crashes with explicit analysis of the building structure perforation; Probabilistische Analyse von Flugzeugabstuerzen mit expliziter Analyse der Perforation von Gebaeudestrukturen

    Energy Technology Data Exchange (ETDEWEB)

    Reichert, Mathias; Pacharzina, Benedykt; Oberste-Schemmann, Andre; Sassen, Felix [Westinghouse Electric Germany GmbH, Mannheim (Germany)

    2012-11-01

    For probabilistic safety analyses (PSA) the estimation of aircraft crash induced core damage frequencies is required. Westinghouse developed a methodology for a realistic evaluation of accident sequences caused by aircraft crashes. The analysis includes two steps: the analysis of sequence of accident events and the analysis of damage mechanisms. For the aircraft crash induced accident sequences new detailed event trees were prepared for application in the PSA. The damage mechanisms include kerosene combustion, by building structures transferred vibrations with direct or mediated effects on safety systems, and direct impacts due to the penetration of building structures. The presented methodology evaluates solely the direct impact by penetration of building structures by simulation of the aircraft crash. It was assumed that the other damage mechanisms do not yield significant contributions to the non-availability of safety system components. It was shown that the calculated core damage frequencies for hypothetical aircraft crashes using the new methodology are about one magnitude lower than the results of conservative methods.

  8. Subcellular localization and functional analyses of structural domains of COP1 in transgenic tobacco

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Plants have evolved an extremely exquisite light signal regulatory network to adapt to the changing ambient light conditions, in which COP1 plays a critical roleof the light signal transduction. Based on the cloned pea COP1 cDNA sequence and its protein structure, four indi-vidual gene fragments encoding different structural domains of the COP1 were designed to fuse to the GFP gene. The plant expression vectors containing these fusion genes as well as the COP1GFP fusion gene were constructed and used to transform tobacco by Agribacterium as confirmed by South-]ern analyses. Antibodies were raised against the recombi-nant GFP-COP1 overproduced in Escherichia coli. Im-munoblotting results demonstrated that all of the fusion genes were constitutively expressed in transgenic tobacco plants. We systematically investigated the different subcell- ular localization of these fusion proteins and the resulting phenotypic characteristics of these transgenic plants under light and dark conditions. Our data show that (1) the mo-lecular mass of the tobacco endogenous COP1 protein is 76 kD. It is constitutively expressed in all of the tested tissues and the total cellular content of COP1 protein is not noticea-bly affected by light conditions. (2) The nuclear localization signal of COP1 plays a critical role in regulation of its nu-clear-cytoplasmic partitioning. The subcellular localization of the COP1 protein containing nuclear localization signal is regulated by light in the epidermal cells of leaves, but, it is located in nucleus constitutively in root cells. (3) The coiled-coil domain is very critical to the function of COP1 protein, while the zinc binding RING finger domain only plays a supportive role. (4) The WD-40 repeats domain is essential to the COP1 function, but this domain alone does not affect photomorphogenesis. (5) Overexpression of COP1 protein not only inhibits the photomorphogenesis of the stems and leaves of the transgenic tobacco, but also results in the

  9. Ares I-X Upper Stage Simulator Structural Analyses Supporting the NESC Critical Initial Flaw Size Assessment

    Science.gov (United States)

    Knight, Norman F., Jr.; Phillips, Dawn R.; Raju, Ivatury S.

    2008-01-01

    The structural analyses described in the present report were performed in support of the NASA Engineering and Safety Center (NESC) Critical Initial Flaw Size (CIFS) assessment for the ARES I-X Upper Stage Simulator (USS) common shell segment. The structural analysis effort for the NESC assessment had three thrusts: shell buckling analyses, detailed stress analyses of the single-bolt joint test; and stress analyses of two-segment 10 degree-wedge models for the peak axial tensile running load. Elasto-plastic, large-deformation simulations were performed. Stress analysis results indicated that the stress levels were well below the material yield stress for the bounding axial tensile design load. This report also summarizes the analyses and results from parametric studies on modeling the shell-to-gusset weld, flange-surface mismatch, bolt preload, and washer-bearing-surface modeling. These analyses models were used to generate the stress levels specified for the fatigue crack growth assessment using the design load with a factor of safety.

  10. Comparison of genetic diversity structure analyses of SSR molecular marker data within apple (Malus×domestica) genetic resources.

    Science.gov (United States)

    Patzak, Josef; Paprštein, František; Henychová, Alena; Sedlák, Jiří

    2012-09-01

    The aim of this study was to compare traditional hierarchical clustering techniques and principal coordinate analysis (PCoA) with the model-based Bayesian cluster analyses in relation to subpopulation differentiation based on breeding history and geographical origin of apple (Malus×domestica Borkh.) cultivars and landraces. We presented the use of a set of 10 microsatellite (SSR) loci for genetic diversity structure analyses of 273 apple accessions from national genetic resources. These SSR loci yielded a total of 113 polymorphic SSR alleles, with 5-18 alleles per locus. SSR molecular data were successfully used in binary and allelic input format for all genetic diversity analyses, but allelic molecular data did not reveal reliable results with the NTSYS-pc and BAPS softwares. A traditional cluster analysis still provided an easy and effective way for determining genetic diversity structure in the apple germplasm collection. A model-based Bayesian analysis also provided the clustering results in accordance to traditional cluster analysis, but the analyses were distorted by the presence of a dominant group of apple genetic resources owing to the narrow origin of the apple genome. PCoA confirmed that there were no noticeable differences in genetic diversity structure of apple genetic resources during the breeding history. The results of our analyses are useful in the context of enhancing apple collection management, sampling of core collections, and improving breeding processes.

  11. Methodological developments in the field of structural integrity analyses of large scale reactor pressure vessels in Hungary

    Directory of Open Access Journals (Sweden)

    Tamás Fekete

    2016-03-01

    Full Text Available Buildings, structures and systems of large scale and high value (e.g. conventional and nuclear power plants, etc. are designed for a certain, limited service lifetime. If the standards and guidelines of the time are taken into account during the design process, the resulting structures will operate safely in most cases. However, in the course of technical history there were examples of unusual, catastrophic failures of structures, even resulting in human casualties. Although the concept of Structural Integrity first appeared in industrial applications only two-three decades ago, its pertinence has been growing higher ever since. Four nuclear power generation units have been constructed in Hungary, more than 30 years ago. In every unit, VVER-440 V213 type light-water cooled, light-water moderated, pressurized water reactors are in operation. Since the mid-1980s, Pressurized Thermal Shock (PTS analyses of Reactor Pressure Vessels (RPV have been conducted in Hungary, where the concept of structural integrity was the basis of research and development. In the first part of the paper, a short historic overview is given, where the origins of the Structural Integrity concept are presented, and the beginnings of Structural Integrity in Hungary are summarized. In the second part, a new conceptual model of Structural Integrity is introduced. In the third part, a brief description of the VVER-440 V213 type RPV and its surrounding primary system is presented. In the fourth part, a conceptual model developed for PTS Structural Integrity Analyses is explained.

  12. Finite Element Approach for Analyses of Flanking Noise Transmission within Lightweight Panel Structure

    DEFF Research Database (Denmark)

    Domadiya, Parthkumar Gandalal; Dickow, Kristoffer Ahrens; Andersen, Lars;

    2011-01-01

    This paper concerns the analysis of noise transmission in a lightweight panel structure. The analysis is based on Finite Element Analysis (FEA) employing solid elements for the structure. The analysis focuses on flanking noise transmission in panel structures of finite size. A parametric study...

  13. Structural and Treatment Analyses of Safe and At-Risk Behaviors and Postures Performed by Pharmacy Employees

    Science.gov (United States)

    Fante, Rhiannon; Gravina, Nicole; Betz, Alison; Austin, John

    2010-01-01

    This study employed structural and treatment analyses to determine factors that contributed to wrist posture safety in a small pharmacy. The pharmacy was located on a university campus and participants were three female pharmacy technicians. These particular employees had experienced various repetitive-motion injuries that resulted in a total of…

  14. A Model for Integrating Fixed-, Random-, and Mixed-Effects Meta-Analyses into Structural Equation Modeling

    Science.gov (United States)

    Cheung, Mike W.-L.

    2008-01-01

    Meta-analysis and structural equation modeling (SEM) are two important statistical methods in the behavioral, social, and medical sciences. They are generally treated as two unrelated topics in the literature. The present article proposes a model to integrate fixed-, random-, and mixed-effects meta-analyses into the SEM framework. By applying an…

  15. Using enterprise architecture to analyse how organisational structure impact motivation and learning

    Science.gov (United States)

    Närman, Pia; Johnson, Pontus; Gingnell, Liv

    2016-06-01

    When technology, environment, or strategies change, organisations need to adjust their structures accordingly. These structural changes do not always enhance the organisational performance as intended partly because organisational developers do not understand the consequences of structural changes in performance. This article presents a model-based analysis framework for quantitative analysis of the effect of organisational structure on organisation performance in terms of employee motivation and learning. The model is based on Mintzberg's work on organisational structure. The quantitative analysis is formalised using the Object Constraint Language (OCL) and the Unified Modelling Language (UML) and implemented in an enterprise architecture tool.

  16. Un modèle d’analyse de structures situationnelles de discours

    Directory of Open Access Journals (Sweden)

    Ewa Miczka

    2015-11-01

    Full Text Available A model for the analysis of situational discourse structures In this paper the author presents a model for the analysis of situational discourse structures applied to fait divers. Situational structures of discourse are defined as a sequence of experiential frames. Each frame permits to conceptualize one event forming a part of information introduced in discourse. The proposed model permits to analyze (1 the internal structure of experiencial frames activated in discours and (2 possible relations between frames identified in discourse. The author aims to present the role of situational structures in discourse comprehension – the process which implicates creation of discourse representation.

  17. Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Hura, Greg L.; Menon, Angeli L.; Hammel, Michal; Rambo, Robert P.; Poole II, Farris L.; Tsutakawa, Susan E.; Jenney Jr, Francis E.; Classen, Scott; Frankel, Kenneth A.; Hopkins, Robert C.; Yang, Sungjae; Scott, Joseph W.; Dillard, Bret D.; Adams, Michael W. W.; Tainer, John A.

    2009-07-20

    We present an efficient pipeline enabling high-throughput analysis of protein structure in solution with small angle X-ray scattering (SAXS). Our SAXS pipeline combines automated sample handling of microliter volumes, temperature and anaerobic control, rapid data collection and data analysis, and couples structural analysis with automated archiving. We subjected 50 representative proteins, mostly from Pyrococcus furiosus, to this pipeline and found that 30 were multimeric structures in solution. SAXS analysis allowed us to distinguish aggregated and unfolded proteins, define global structural parameters and oligomeric states for most samples, identify shapes and similar structures for 25 unknown structures, and determine envelopes for 41 proteins. We believe that high-throughput SAXS is an enabling technology that may change the way that structural genomics research is done.

  18. Population-based analyses of Giardia duodenalis is consistent with the clonal assemblage structure

    Directory of Open Access Journals (Sweden)

    Takumi Katsuhisa

    2012-08-01

    Full Text Available Abstract Background Giardia duodenalis is a common protozoan parasite of humans and animals. Genetic characterization of single loci indicates the existence of eight groups called assemblages, which differ in their host distribution. Molecular analyses challenged the idea that G. duodenalis is a strictly clonal diplomonad by providing evidence of recombination within and between assemblages. Particularly, inter-assemblage recombination events would complicate the interpretation of multi-locus genotyping data from field isolates: where is a host infected with multiple Giardia genotypes or with a single, recombined Giardia genotype. Methods Population genetic analyses on the single and multiple-locus level on an extensive dataset of G. duodenalis isolates from humans and animals were performed. Results Our analyses indicate that recombination between isolates from different assemblages are apparently very rare or absent in the natural population of Giardia duodenalis. At the multi-locus level, our statistical analyses are more congruent with clonal reproduction and can equally well be explained with the presence of multiple G. duodenalis genotypes within one field isolate. Conclusions We conclude that recombination between G. duodenalis assemblages is either very rare or absent. Recombination between genotypes from the same assemblage and genetic exchange between the nuclei of a single cyst needs further investigation.

  19. Genome-wide analyses of Epstein-Barr virus reveal conserved RNA structures and a novel stable intronic sequence RNA

    OpenAIRE

    2013-01-01

    Background Epstein-Barr virus (EBV) is a human herpesvirus implicated in cancer and autoimmune disorders. Little is known concerning the roles of RNA structure in this important human pathogen. This study provides the first comprehensive genome-wide survey of RNA and RNA structure in EBV. Results Novel EBV RNAs and RNA structures were identified by computational modeling and RNA-Seq analyses of EBV. Scans of the genomic sequences of four EBV strains (EBV-1, EBV-2, GD1, and GD2) and of the clo...

  20. CASKET: a computer code system for thermal and structural analyses of radioactive material transport and/or storage cask

    Energy Technology Data Exchange (ETDEWEB)

    Ikushima, Takeshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-05-01

    A computer code system CASKET (CASK thermal and structural analyses and Evaluation code system) for the thermal and structural analyses which are indispensable for radioactive material transport and/or storage cask designs has been developed. The CASKET is a simplified computer code system to perform parametric analyses on sensitivity evaluations in designing a cask and conducting its safety analysis. Main features of the CASKET are as follow: (1) it is capable to perform impact analysis of casks with shock absorbers, (2) it is capable to perform impact analysis of casks with fins. (3) puncture analysis of casks is capable, (4) rocking analysis of casks during seismic load is capable, (5) material property data library are provided for impact analysis of casks, (6) material property data library are provided for thermal analysis of casks, (7) fin energy absorption data library are provided for impact analysis of casks with fins are and (8) not only main frame computers (OS MSP) but also work stations (OS UNIX) and personal computers (OS Windows 3.1) are available. In the paper, brief illustrations of calculation methods are presented. Some calculation results are compared with experimental ones to confirm the computer programs are useful for thermal and structural analyses. (author)

  1. Structural analyses of Avocado sunblotch viroid reveal differences in the folding of plus and minus RNA strands.

    Science.gov (United States)

    Delan-Forino, Clémentine; Deforges, Jules; Benard, Lionel; Sargueil, Bruno; Maurel, Marie-Christine; Torchet, Claire

    2014-01-29

    Viroids are small pathogenic circular single-stranded RNAs, present in two complementary sequences, named plus and minus, in infected plant cells. A high degree of complementarities between different regions of the RNAs allows them to adopt complex structures. Since viroids are naked non-coding RNAs, interactions with host factors appear to be closely related to their structural and catalytic characteristics. Avocado sunblotch viroid (ASBVd), a member of the family Avsunviroidae, replicates via a symmetric RNA-dependant rolling-circle process, involving self-cleavage via hammerhead ribozymes. Consequently, it is assumed that ASBVd plus and minus strands adopt similar structures. Moreover, by computer analyses, a quasi-rod-like secondary structure has been predicted. Nevertheless, secondary and tertiary structures of both polarities of ASBVd remain unsolved. In this study, we analyzed the characteristic of each strand of ASBVd through biophysical analyses. We report that ASBVd transcripts of plus and minus polarities exhibit differences in electrophoretic mobility under native conditions and in thermal denaturation profiles. Subsequently, the secondary structures of plus and minus polarities of ASBVd were probed using the RNA-selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE) method. The models obtained show that both polarities fold into different structures. Moreover, our results suggest the existence of a kissing-loop interaction within the minus strand that may play a role in in vivo viroid life cycle.

  2. Structural Analyses of Avocado sunblotch viroid Reveal Differences in the Folding of Plus and Minus RNA Strands

    Science.gov (United States)

    Delan-Forino, Clémentine; Deforges, Jules; Benard, Lionel; Sargueil, Bruno; Maurel, Marie-Christine; Torchet, Claire

    2014-01-01

    Viroids are small pathogenic circular single-stranded RNAs, present in two complementary sequences, named plus and minus, in infected plant cells. A high degree of complementarities between different regions of the RNAs allows them to adopt complex structures. Since viroids are naked non-coding RNAs, interactions with host factors appear to be closely related to their structural and catalytic characteristics. Avocado sunblotch viroid (ASBVd), a member of the family Avsunviroidae, replicates via a symmetric RNA-dependant rolling-circle process, involving self-cleavage via hammerhead ribozymes. Consequently, it is assumed that ASBVd plus and minus strands adopt similar structures. Moreover, by computer analyses, a quasi-rod-like secondary structure has been predicted. Nevertheless, secondary and tertiary structures of both polarities of ASBVd remain unsolved. In this study, we analyzed the characteristic of each strand of ASBVd through biophysical analyses. We report that ASBVd transcripts of plus and minus polarities exhibit differences in electrophoretic mobility under native conditions and in thermal denaturation profiles. Subsequently, the secondary structures of plus and minus polarities of ASBVd were probed using the RNA-selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE) method. The models obtained show that both polarities fold into different structures. Moreover, our results suggest the existence of a kissing-loop interaction within the minus strand that may play a role in in vivo viroid life cycle. PMID:24481250

  3. Structural Analyses of Avocado sunblotch viroid Reveal Differences in the Folding of Plus and Minus RNA Strands

    Directory of Open Access Journals (Sweden)

    Clémentine Delan-Forino

    2014-01-01

    Full Text Available Viroids are small pathogenic circular single-stranded RNAs, present in two complementary sequences, named plus and minus, in infected plant cells. A high degree of complementarities between different regions of the RNAs allows them to adopt complex structures. Since viroids are naked non-coding RNAs, interactions with host factors appear to be closely related to their structural and catalytic characteristics. Avocado sunblotch viroid (ASBVd, a member of the family Avsunviroidae, replicates via a symmetric RNA-dependant rolling-circle process, involving self-cleavage via hammerhead ribozymes. Consequently, it is assumed that ASBVd plus and minus strands adopt similar structures. Moreover, by computer analyses, a quasi-rod-like secondary structure has been predicted. Nevertheless, secondary and tertiary structures of both polarities of ASBVd remain unsolved. In this study, we analyzed the characteristic of each strand of ASBVd through biophysical analyses. We report that ASBVd transcripts of plus and minus polarities exhibit differences in electrophoretic mobility under native conditions and in thermal denaturation profiles. Subsequently, the secondary structures of plus and minus polarities of ASBVd were probed using the RNA-selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE method. The models obtained show that both polarities fold into different structures. Moreover, our results suggest the existence of a kissing-loop interaction within the minus strand that may play a role in in vivo viroid life cycle.

  4. Dynamic Analyses of Isolated Structures under Bi-Directional Excitations of Near-Field Ground Motions

    Directory of Open Access Journals (Sweden)

    Gokhan Ozdemir

    2012-01-01

    Full Text Available Nonlinear response history analyses (NRHA of a 3-story isolated reinforced concrete (RC building are carried out under both uni- and bi-directional earthquake excitations of near-field records. NRHA are conducted for a wide range of yield strength (Q/W of lead rubber bearings (LRB, and isolation period (T. Selected near-field records are used to investigate both the contribution of orthogonal components on maximum isolator displacements and accuracy of equivalent lateral force (ELF procedure on estimation of maximum isolator displacements. Analyses results show that both the contribution of orthogonal components and accuracy of ELF procedure depend on the soil condition where isolation system is implemented.

  5. Classifying social anxiety disorder using multivoxel pattern analyses of brain function and structure

    NARCIS (Netherlands)

    Frick, A.; Gingnell, M.; Marquand, A.F.; Howner, K.; Fischer, H.; Kristiansson, M.; Williams, S.C.; Fredrikson, M.; Furmark, T.

    2014-01-01

    Functional neuroimaging of social anxiety disorder (SAD) support altered neural activation to threat-provoking stimuli focally in the fear network, while structural differences are distributed over the temporal and frontal cortices as well as limbic structures. Previous neuroimaging studies have inv

  6. Population-based analyses of Giardia duodenalis is consistent with the clonal assemblage structure

    OpenAIRE

    2012-01-01

    Abstract Background Giardia duodenalis is a common protozoan parasite of humans and animals. Genetic characterization of single loci indicates the existence of eight groups called assemblages, which differ in their host distribution. Molecular analyses challenged the idea that G. duodenalis is a strictly clonal diplomonad by providing evidence of recombination within and between assemblages. Particularly, inter-assemblage recombination events would complicate the interpretation of multi-locus...

  7. Fixed- and random-effects meta-analytic structural equation modeling: examples and analyses in R.

    Science.gov (United States)

    Cheung, Mike W-L

    2014-03-01

    Meta-analytic structural equation modeling (MASEM) combines the ideas of meta-analysis and structural equation modeling for the purpose of synthesizing correlation or covariance matrices and fitting structural equation models on the pooled correlation or covariance matrix. Cheung and Chan (Psychological Methods 10:40-64, 2005b, Structural Equation Modeling 16:28-53, 2009) proposed a two-stage structural equation modeling (TSSEM) approach to conducting MASEM that was based on a fixed-effects model by assuming that all studies have the same population correlation or covariance matrices. The main objective of this article is to extend the TSSEM approach to a random-effects model by the inclusion of study-specific random effects. Another objective is to demonstrate the procedures with two examples using the metaSEM package implemented in the R statistical environment. Issues related to and future directions for MASEM are discussed.

  8. Microsatellite analyses reveal fine-scale genetic structure in grey mouse lemurs (Microcebus murinus).

    Science.gov (United States)

    Fredsted, T; Pertoldi, C; Schierup, M H; Kappeler, P M

    2005-07-01

    Information on genetic structure can be used to complement direct inferences on social systems and behaviour. We studied the genetic structure of the solitary grey mouse lemur (Microcebus murinus), a small, nocturnal primate endemic to western Madagascar, with the aim of getting further insight on its breeding structure. Tissue samples from 167 grey mouse lemurs in an area covering 12.3 km2 in Kirindy Forest were obtained from trapping. The capture data indicated a noncontinuous distribution of individuals in the study area. Using 10 microsatellite markers, significant genetic differentiation in the study area was demonstrated and dispersal was found to be significantly male biased. Furthermore, we observed an overall excess of homozygotes in the total population (F(IT) = 0.131), which we interpret as caused by fine-scale structure with breeding occurring in small units. Evidence for a clumped distribution of identical homozygotes was found, supporting the notion that dispersal distance for breeding was shorter than that for foraging, i.e. the breeding neighbourhood size is smaller than the foraging neighbourhood size. In conclusion, we found a more complex population structure than what has been previously reported in studies performed on smaller spatial scales. The noncontinuous distribution of individuals and the effects of social variables on the genetic structure have implications for the interpretation of social organization and the planning of conservation activities that may apply to other solitary and endangered mammals as well.

  9. A protein relational database and protein family knowledge bases to facilitate structure-based design analyses.

    Science.gov (United States)

    Mobilio, Dominick; Walker, Gary; Brooijmans, Natasja; Nilakantan, Ramaswamy; Denny, R Aldrin; Dejoannis, Jason; Feyfant, Eric; Kowticwar, Rupesh K; Mankala, Jyoti; Palli, Satish; Punyamantula, Sairam; Tatipally, Maneesh; John, Reji K; Humblet, Christine

    2010-08-01

    The Protein Data Bank is the most comprehensive source of experimental macromolecular structures. It can, however, be difficult at times to locate relevant structures with the Protein Data Bank search interface. This is particularly true when searching for complexes containing specific interactions between protein and ligand atoms. Moreover, searching within a family of proteins can be tedious. For example, one cannot search for some conserved residue as residue numbers vary across structures. We describe herein three databases, Protein Relational Database, Kinase Knowledge Base, and Matrix Metalloproteinase Knowledge Base, containing protein structures from the Protein Data Bank. In Protein Relational Database, atom-atom distances between protein and ligand have been precalculated allowing for millisecond retrieval based on atom identity and distance constraints. Ring centroids, centroid-centroid and centroid-atom distances and angles have also been included permitting queries for pi-stacking interactions and other structural motifs involving rings. Other geometric features can be searched through the inclusion of residue pair and triplet distances. In Kinase Knowledge Base and Matrix Metalloproteinase Knowledge Base, the catalytic domains have been aligned into common residue numbering schemes. Thus, by searching across Protein Relational Database and Kinase Knowledge Base, one can easily retrieve structures wherein, for example, a ligand of interest is making contact with the gatekeeper residue.

  10. Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA.

    Science.gov (United States)

    Hubin, Elizabeth A; Tabib-Salazar, Aline; Humphrey, Laurence J; Flack, Joshua E; Olinares, Paul Dominic B; Darst, Seth A; Campbell, Elizabeth A; Paget, Mark S

    2015-06-01

    Gene expression is highly regulated at the step of transcription initiation, and transcription activators play a critical role in this process. RbpA, an actinobacterial transcription activator that is essential in Mycobacterium tuberculosis (Mtb), binds selectively to group 1 and certain group 2 σ-factors. To delineate the molecular mechanism of RbpA, we show that the Mtb RbpA σ-interacting domain (SID) and basic linker are sufficient for transcription activation. We also present the crystal structure of the Mtb RbpA-SID in complex with domain 2 of the housekeeping σ-factor, σ(A). The structure explains the basis of σ-selectivity by RbpA, showing that RbpA interacts with conserved regions of σ(A) as well as the nonconserved region (NCR), which is present only in housekeeping σ-factors. Thus, the structure is the first, to our knowledge, to show a protein interacting with the NCR of a σ-factor. We confirm the basis of selectivity and the observed interactions using mutagenesis and functional studies. In addition, the structure allows for a model of the RbpA-SID in the context of a transcription initiation complex. Unexpectedly, the structural modeling suggests that RbpA contacts the promoter DNA, and we present in vivo and in vitro studies supporting this finding. Our combined data lead to a better understanding of the mechanism of RbpA function as a transcription activator.

  11. Multiwavelength anomalous diffraction analyses of protein structures based on xenon and selenium resonances

    Science.gov (United States)

    Slama, Betty Nicole

    The 'phase problem' is central to X-ray crystallography, and multiwavelength anomalous diffraction (MAD) provides an elegant and broadly accessible solution. In the first part, the use of MAD at the xenon L3 edge is explored, as an alternative to the well established selenium K-edge phasing. In the second part, the structure of the bacterial protein Vibrio cholerae LuxQ, part of a two component signaling system involved in quorum sensing, is solved and analyzed. Keywords: anomalous scattering, x-ray diffraction, phasing, protein structure.

  12. Analysing the impact of buyers' personality constructs on the market structure of brands

    DEFF Research Database (Denmark)

    Chrysochou, Polymeros; Krystallis, Athanasios; Rungie, Cam

    2008-01-01

    In order to operationalize brand loyalty, various models have been applied that estimate brand measures and further describe patterns and the structure of the markets. A well known model in this area is the Dirichlet-NBD model. Despite major advancements to those models, how buyers' characteristics...... and psychographics influence actual brand measures and the overall market structure in repeat purchase occasions is still under-researched. Moreover, measuring the type and magnitude of buyer-related effects on brand loyalty could provide additional valuable information to brand managers. Aim of this paper...

  13. Optimal mother wavelet-based Lamb wave analyses and damage detection for composite structures

    Institute of Scientific and Technical Information of China (English)

    Li Fucai; Meng Guang; Ye Lin

    2007-01-01

    With the purpose of on-line structural health monitoring, a transducer network was embedded into composite structure to minimize the influence of surroundings. The intrinsic dispersion characteristic of Lamb wave makes the wavelet transform an effective signal processing method for guided waves. To get high precision in feature extraction, an information entropy-based optimal mother wavelet selection approach was proposed, which was used to choose the most appropriate basis function for particular Lamb wave analysis. By using the embedded sensor network and extracting time-of-flight, delamination in the composite laminate was identified and located. The results demonstrate the effectiveness of the proposed methods.

  14. Genes that affect brain structure and function identified by rare variant analyses of Mendelian neurologic disease

    Science.gov (United States)

    Karaca, Ender; Harel, Tamar; Pehlivan, Davut; Jhangiani, Shalini N.; Gambin, Tomasz; Akdemir, Zeynep Coban; Gonzaga-Jauregui, Claudia; Erdin, Serkan; Bayram, Yavuz; Campbell, Ian M.; Hunter, Jill V.; Atik, Mehmed M.; Van Esch, Hilde; Yuan, Bo; Wiszniewski, Wojciech; Isikay, Sedat; Yesil, Gozde; Yuregir, Ozge O.; Bozdogan, Sevcan Tug; Aslan, Huseyin; Aydin, Hatip; Tos, Tulay; Aksoy, Ayse; De Vivo, Darryl C.; Jain, Preti; Geckinli, B. Bilge; Sezer, Ozlem; Gul, Davut; Durmaz, Burak; Cogulu, Ozgur; Ozkinay, Ferda; Topcu, Vehap; Candan, Sukru; Cebi, Alper Han; Ikbal, Mevlit; Gulec, Elif Yilmaz; Gezdirici, Alper; Koparir, Erkan; Ekici, Fatma; Coskun, Salih; Cicek, Salih; Karaer, Kadri; Koparir, Asuman; Duz, Mehmet Bugrahan; Kirat, Emre; Fenercioglu, Elif; Ulucan, Hakan; Seven, Mehmet; Guran, Tulay; Elcioglu, Nursel; Yildirim, Mahmut Selman; Aktas, Dilek; Alikaşifoğlu, Mehmet; Ture, Mehmet; Yakut, Tahsin; Overton, John D.; Yuksel, Adnan; Ozen, Mustafa; Muzny, Donna M.; Adams, David R.; Boerwinkle, Eric; Chung, Wendy K.; Gibbs, Richard A.; Lupski, James R

    2015-01-01

    Development of the human nervous system involves complex interactions between fundamental cellular processes and requires a multitude of genes, many of which remain to be associated with human disease. We applied whole exome sequencing to 128 mostly consanguineous families with neurogenetic disorders that often included brain malformations. Rare variant analyses for both single nucleotide variant (SNV) and copy number variant (CNV) alleles allowed for identification of 45 novel variants in 43 known disease genes, 41 candidate genes, and CNVs in 10 families, with an overall potential molecular cause identified in >85% of families studied. Among the candidate genes identified, we found PRUNE, VARS, and DHX37 in multiple families, and homozygous loss of function variants in AGBL2, SLC18A2, SMARCA1, UBQLN1, and CPLX1. Neuroimaging and in silico analysis of functional and expression proximity between candidate and known disease genes allowed for further understanding of genetic networks underlying specific types of brain malformations. PMID:26539891

  15. Community structure of arbuscular mycorrhizal fungi in undisturbed vegetation revealed by analyses of LSU rdna sequences

    DEFF Research Database (Denmark)

    Rosendahl, Søren; Holtgrewe-Stukenbrock, Eva

    2004-01-01

    Arbuscular mycorrhizal fungi (AMF) form a mutualistic symbiosis with plant roots and are found in most ecosystems. In this study the community structure of AMF in a clade of the genus Glomus was examined in undisturbed costal grassland using LSU rDNA sequences amplified from roots of Hieracium pi...

  16. Testing Mediation Using Multiple Regression and Structural Equation Modeling Analyses in Secondary Data

    Science.gov (United States)

    Li, Spencer D.

    2011-01-01

    Mediation analysis in child and adolescent development research is possible using large secondary data sets. This article provides an overview of two statistical methods commonly used to test mediated effects in secondary analysis: multiple regression and structural equation modeling (SEM). Two empirical studies are presented to illustrate the…

  17. GSEVM v.2: MCMC software to analyse genetically structured environmental variance models

    DEFF Research Database (Denmark)

    Ibáñez-Escriche, N; Garcia, M; Sorensen, D

    2010-01-01

    This note provides a description of software that allows to fit Bayesian genetically structured variance models using Markov chain Monte Carlo (MCMC). The gsevm v.2 program was written in Fortran 90. The DOS and Unix executable programs, the user's guide, and some example files are freely availab...

  18. Second Order Nonlinear Hydroelastic Analyses of Floating Bodies - the Primary Consideration of Nonlinear Structure

    DEFF Research Database (Denmark)

    Chen, X.; Cui, W.; Jensen, Jørgen Juncher

    2003-01-01

    The theory and typical numerical results of a second order nonlinear hydroelastic analysis of floating bodies are presented in a series of papers in which only nonlinearity in fluids is considered. Under the assumption of linear fluid, the hydroelastic analysis methods of nonlinear structure are ...

  19. Ultra-Structure database design methodology for managing systems biology data and analyses

    Directory of Open Access Journals (Sweden)

    Hemminger Bradley M

    2009-08-01

    Full Text Available Abstract Background Modern, high-throughput biological experiments generate copious, heterogeneous, interconnected data sets. Research is dynamic, with frequently changing protocols, techniques, instruments, and file formats. Because of these factors, systems designed to manage and integrate modern biological data sets often end up as large, unwieldy databases that become difficult to maintain or evolve. The novel rule-based approach of the Ultra-Structure design methodology presents a potential solution to this problem. By representing both data and processes as formal rules within a database, an Ultra-Structure system constitutes a flexible framework that enables users to explicitly store domain knowledge in both a machine- and human-readable form. End users themselves can change the system's capabilities without programmer intervention, simply by altering database contents; no computer code or schemas need be modified. This provides flexibility in adapting to change, and allows integration of disparate, heterogenous data sets within a small core set of database tables, facilitating joint analysis and visualization without becoming unwieldy. Here, we examine the application of Ultra-Structure to our ongoing research program for the integration of large proteomic and genomic data sets (proteogenomic mapping. Results We transitioned our proteogenomic mapping information system from a traditional entity-relationship design to one based on Ultra-Structure. Our system integrates tandem mass spectrum data, genomic annotation sets, and spectrum/peptide mappings, all within a small, general framework implemented within a standard relational database system. General software procedures driven by user-modifiable rules can perform tasks such as logical deduction and location-based computations. The system is not tied specifically to proteogenomic research, but is rather designed to accommodate virtually any kind of biological research. Conclusion We find

  20. Syntheses,Structure Analyses and Thermal Stabilities of Two Schiff Base Metal Complexes

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yinli; CHEN Sanping; FAN Guang; ZHAO Zhijie; GAO Shengli

    2009-01-01

    A Schiff base ligand 1-salicylideneamino-l,3,4-triazole(L)was prepared.Two new complexes with Schiff base,takes a mononuclear zinc structure and the coordination geometry of zinc atom exhibits a distorted tetrahedron,in which a zig-zag chain is constructed through hydrogen bonding interactions.A 2D supramolecular network is formed through π-π stacking between triazole planes and phenyl planes of adjacent chains,and a 3D supramolecular network is further constructed by these non-covalent π-π stacking interactions between the triazole planes of neighboring layers.Complex 2 takes a dinuclear structure with the bidentate-bridging Schiff base ligands,and cobalt site exhibits a distorted octahedron.The lattice water molecules and neutral complex 2 units form a dimer with hydrogen bonding interactions.In addition,IR and thermal gravimetric analysis are presented.

  1. Topology Method for Analyses of 3—D Viscous Flow Structure in Transonic Turbomachinery

    Institute of Scientific and Technical Information of China (English)

    YanhuGuo; BaoguoWang; 等

    1997-01-01

    A topology method is presented in this paper to reveal flow tructure occurring insie turbomachinery,in which near wall flow structure is revealed by using wall limiting streamilines and space flow feature is revealed by using space streamilines and cross-section streamlines,As an example ,a computational three-dimensional viscous flow field inside a transonic turbine cascade is studied.Through the analysis,the form and evolution of vortex system and the whole process of separation occurring within this cascade are revealed.The application of topology method for analyze flow structure inside turbomachinmery is very important for understanding flow features and mechanism of flow loss even for improving the design of turbomachinery and increasing its efficiency.

  2. From Structure-Function Analyses to Protein Engineering for Practical Applications of DNA Ligase.

    Science.gov (United States)

    Tanabe, Maiko; Ishino, Yoshizumi; Nishida, Hirokazu

    2015-01-01

    DNA ligases are indispensable in all living cells and ubiquitous in all organs. DNA ligases are broadly utilized in molecular biology research fields, such as genetic engineering and DNA sequencing technologies. Here we review the utilization of DNA ligases in a variety of in vitro gene manipulations, developed over the past several decades. During this period, fewer protein engineering attempts for DNA ligases have been made, as compared to those for DNA polymerases. We summarize the recent progress in the elucidation of the DNA ligation mechanisms obtained from the tertiary structures solved thus far, in each step of the ligation reaction scheme. We also present some examples of engineered DNA ligases, developed from the viewpoint of their three-dimensional structures.

  3. From Structure-Function Analyses to Protein Engineering for Practical Applications of DNA Ligase

    Directory of Open Access Journals (Sweden)

    Maiko Tanabe

    2015-01-01

    Full Text Available DNA ligases are indispensable in all living cells and ubiquitous in all organs. DNA ligases are broadly utilized in molecular biology research fields, such as genetic engineering and DNA sequencing technologies. Here we review the utilization of DNA ligases in a variety of in vitro gene manipulations, developed over the past several decades. During this period, fewer protein engineering attempts for DNA ligases have been made, as compared to those for DNA polymerases. We summarize the recent progress in the elucidation of the DNA ligation mechanisms obtained from the tertiary structures solved thus far, in each step of the ligation reaction scheme. We also present some examples of engineered DNA ligases, developed from the viewpoint of their three-dimensional structures.

  4. Organic chemistry as a language and the implications of chemical linguistics for structural and retrosynthetic analyses.

    Science.gov (United States)

    Cadeddu, Andrea; Wylie, Elizabeth K; Jurczak, Janusz; Wampler-Doty, Matthew; Grzybowski, Bartosz A

    2014-07-28

    Methods of computational linguistics are used to demonstrate that a natural language such as English and organic chemistry have the same structure in terms of the frequency of, respectively, text fragments and molecular fragments. This quantitative correspondence suggests that it is possible to extend the methods of computational corpus linguistics to the analysis of organic molecules. It is shown that within organic molecules bonds that have highest information content are the ones that 1) define repeat/symmetry subunits and 2) in asymmetric molecules, define the loci of potential retrosynthetic disconnections. Linguistics-based analysis appears well-suited to the analysis of complex structural and reactivity patterns within organic molecules.

  5. Structural and Kinetic Analyses of Macrophage Migration Inhibitory Factor Active Site Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Crichlow, G.; Lubetsky, J; Leng, L; Bucala, R; Lolis, E

    2009-01-01

    Macrophage migration inhibitory factor (MIF) is a secreted protein expressed in numerous cell types that counters the antiinflammatory effects of glucocorticoids and has been implicated in sepsis, cancer, and certain autoimmune diseases. Interestingly, the structure of MIF contains a catalytic site resembling the tautomerase/isomerase sites of microbial enzymes. While bona fide physiological substrates remain unknown, model substrates have been identified. Selected compounds that bind in the tautomerase active site also inhibit biological functions of MIF. It had previously been shown that the acetaminophen metabolite, N-acetyl-p-benzoquinone imine (NAPQI), covalently binds to the active site of MIF. In this study, kinetic data indicate that NAPQI inhibits MIF both covalently and noncovalently. The structure of MIF cocrystallized with NAPQI reveals that the NAPQI has undergone a chemical alteration forming an acetaminophen dimer (bi-APAP) and binds noncovalently to MIF at the mouth of the active site. We also find that the commonly used protease inhibitor, phenylmethylsulfonyl fluoride (PMSF), forms a covalent complex with MIF and inhibits the tautomerase activity. Crystallographic analysis reveals the formation of a stable, novel covalent bond for PMSF between the catalytic nitrogen of the N-terminal proline and the sulfur of PMSF with complete, well-defined electron density in all three active sites of the MIF homotrimer. Conclusions are drawn from the structures of these two MIF-inhibitor complexes regarding the design of novel compounds that may provide more potent reversible and irreversible inhibition of MIF.

  6. Functional mapping of human dynamin-1-like GTPase domain based on x-ray structure analyses.

    Directory of Open Access Journals (Sweden)

    Julia Wenger

    Full Text Available Human dynamin-1-like protein (DNM1L is a GTP-driven molecular machine that segregates mitochondria and peroxisomes. To obtain insights into its catalytic mechanism, we determined crystal structures of a construct comprising the GTPase domain and the bundle signaling element (BSE in the nucleotide-free and GTP-analogue-bound states. The GTPase domain of DNM1L is structurally related to that of dynamin and binds the nucleotide 5'-Guanylyl-imidodiphosphate (GMP-PNP via five highly conserved motifs, whereas the BSE folds into a pocket at the opposite side. Based on these structures, the GTPase center was systematically mapped by alanine mutagenesis and kinetic measurements. Thus, residues essential for the GTPase reaction were characterized, among them Lys38, Ser39 and Ser40 in the phosphate binding loop, Thr59 from switch I, Asp146 and Gly149 from switch II, Lys216 and Asp218 in the G4 element, as well as Asn246 in the G5 element. Also, mutated Glu81 and Glu82 in the unique 16-residue insertion of DNM1L influence the activity significantly. Mutations of Gln34, Ser35, and Asp190 in the predicted assembly interface interfered with dimerization of the GTPase domain induced by a transition state analogue and led to a loss of the lipid-stimulated GTPase activity. Our data point to related catalytic mechanisms of DNM1L and dynamin involving dimerization of their GTPase domains.

  7. Tetrahydrolipstatin Inhibition, Functional Analyses, and Three-dimensional Structure of a Lipase Essential for Mycobacterial Viability

    Energy Technology Data Exchange (ETDEWEB)

    Crellin, Paul K.; Vivian, Julian P.; Scoble, Judith; Chow, Frances M.; West, Nicholas P.; Brammananth, Rajini; Proellocks, Nicholas I.; Shahine, Adam; Le Nours, Jerome; Wilce, Matthew C.J.; Britton, Warwick J.; Coppel, Ross L.; Rossjohn, Jamie; Beddoe, Travis (Monash); (Centenary)

    2010-09-17

    The highly complex and unique mycobacterial cell wall is critical to the survival of Mycobacteria in host cells. However, the biosynthetic pathways responsible for its synthesis are, in general, incompletely characterized. Rv3802c from Mycobacterium tuberculosis is a partially characterized phospholipase/thioesterase encoded within a genetic cluster dedicated to the synthesis of core structures of the mycobacterial cell wall, including mycolic acids and arabinogalactan. Enzymatic assays performed with purified recombinant proteins Rv3802c and its close homologs from Mycobacterium smegmatis (MSMEG{_}6394) and Corynebacterium glutamicum (NCgl2775) show that they all have significant lipase activities that are inhibited by tetrahydrolipstatin, an anti-obesity drug that coincidently inhibits mycobacterial cell wall biosynthesis. The crystal structure of MSMEG{_}6394, solved to 2.9 {angstrom} resolution, revealed an {alpha}/{beta} hydrolase fold and a catalytic triad typically present in esterases and lipases. Furthermore, we demonstrate direct evidence of gene essentiality in M. smegmatis and show the structural consequences of loss of MSMEG{_}6394 function on the cellular integrity of the organism. These findings, combined with the predicted essentiality of Rv3802c in M. tuberculosis, indicate that the Rv3802c family performs a fundamental and indispensable lipase-associated function in mycobacteria.

  8. Quasi-3D Waveform Inversion for Velocity Structures and Source Process Analyses Using its Results

    Science.gov (United States)

    Hikima, K.; Koketsu, K.

    2007-12-01

    In this study, we propose an efficient waveform inversion method for 2-D velocity structures and 3-D velocity structures are constructed by interpolating the results of the 2-D inversions. We apply these methods to a source process study of the 2003 Miyagi-ken Hokubu earthquake. We will first construct a velocity model, then determine the source processes of this earthquake sequence using the Green's function calculated with the resultant 3-D velocity model. We formulate the inversion procedure in a 2-D cross section. In a 2-D problem, an earthquake is forced to be a line source. Therefore, we introduce approximate transformation from a line source to a point source (Vidale and Helmberger, 1987). We use the 2-D velocity-stress staggered-grid finite difference scheme, so that the source representation is somewhat different from the original 'source box method' and we apply additional corrections to calculated waveforms. The boundary shapes of layers are expressed by connected nodes and we invert observed waveforms for layer thicknesses at the nodes. We perform 2-D velocity inversions along cross sections which involve a medium-size earthquake and observation points. We assemble the results for many stations and interpolated them to construct the 3-D velocity model. Finally, we calculate waveforms from the target earthquake by the 3-D finite difference method with this velocity model to confirm the validity of the model. We next perform waveform inversions for source processes of the 2003 Miyagi-ken Hokubu earthquake sequence using the resultant 3-D velocity model. We divide the fault plane into northern and southern subplanes, so that the southern subplane includes the hypocenter of the mainshock and the largest foreshock. The strike directions of the northern and southern subplanes were N-S and NE-SW, respectively. The Green's functions for these source inversions are calculated using the reciprocal theorem. We determine the slip models using the 3- D structure and

  9. Adolf Hitler's Parkinson's disease and an attempt to analyse his personality structure.

    Science.gov (United States)

    Gerstenbrand, F; Karamat, E

    1999-03-01

    It has been proved that Adolf Hitler suffered from idiopathic Parkinson's disease. No indication for postencephalitic parkinsonism was found in the clinical symptoms or the case history. Professor Max de Crinis established his diagnosis of Parkinson's disease in Hitler early in 1945 and informed the SS leadership, who decided to initiate treatment with a specially prepared 'antiparkinsonian mixture' to be administered by a physician. However, Hitler never received the mixture, this implies that the SS intended to remove the severely diseased 'Leader'. Two different character traits can be analysed in Hitler's personality: on the one hand the typical premorbid personality of parkinsonian patients with uncorrectable mental rigidity, extreme inflexibility and insupportable pedantry. On the other an antisocial personality disorder with lack of ethical and social values, a deeply rooted tendency to betray others and to deceive himself and uncontrollable emotional reactions. This special combination in Hitler's personality resulted in the uncritical conviction of his mission and an enormous driving for recognition. The neuropsychiatric analysis of Hitler's personality could lead to a better explanation of the pathological traits of one of the most conspicuous historical personalities.

  10. Structural analyses of Legionella LepB reveal a new GAP fold that catalytically mimics eukaryotic RasGAP

    Institute of Scientific and Technical Information of China (English)

    Qin Yu; Liyan Hu; Qing Yao; Yongqun Zhu; Na Dong; Da-Cheng Wang; Feng Shao

    2013-01-01

    Rab GTPases are emerging targets of diverse bacterial pathogens.Here,we perform biochemical and structural analyses of LepB,a Rab GTPase-activating protein (GAP) effector from Legionellapneumophila.We map LepB GAP domain to residues 313-618 and show that the GAP domain is Rab1 specific with a catalytic activity higher than the canonical eukaryotic TBC GAP and the newly identified VirA/EspG family of bacterial RabGAP effectors.Exhaustive mutation analyses identify Arg444 as the arginine finger,but no catalytically essential glutamine residues.Crystal structures of LepB313-618 alone and the GAP domain of Legionella drancourtii LepB in complex with Rab1-GDP-AIF3 support the catalytic role of Arg444,and also further reveal a 3D architecture and a GTPase-binding mode distinct from all known GAPs.Glu449,structurally equivalent to TBC RabGAP glutamine finger in apo-LepB,undergoes a drastic movement upon Rab1 binding,which induces Rab1 Gin70 side-chain flipping towards GDP-AIF3 through a strong ionic interaction.This conformationally rearranged Gln70 acts as the catalytic cis-glutamine,therefore uncovering an unexpected RasGAP-like catalytic mechanism for LepB.Our studies highlight an extraordinary structural and catalytic diversity of RabGAPs,particularly those from bacterial pathogens.

  11. Analyse et caracterisation d'interactions fluide-structure instationnaires en grands deplacements

    Science.gov (United States)

    Cori, Jean-Francois

    Flapping wings for flying and oscillating fins for swimming stand out as the most complex yet efficient propulsion methods found in nature. Understanding the phenomena involved is a great challenge generating significant interests, especially in the growing field of Micro Air Vehicles. The thrust and lift are induced by oscillating foils thanks to a complex phenomenon of unsteady fluid-structure interaction (FSI). The aim of the dissertation is to develop an efficient CFD framework for simulating the FSI process involved in the propulsion or the power extraction of an oscillating flexible airfoil in a viscous incompressible flow. The numerical method relies on direct implicit monolithic formulation using high-order implicit time integrators. We use an Arbitrary Lagrangian Eulerian (ALE) formulation of the equations designed to satisfy the Geometric Conservation Law (GCL) and to guarantee that the high order temporal accuracy of the time integrators observed on fixed meshes is preserved on ALE deforming meshes. Hyperelastic structural Saint-Venant Kirchhoff model, viscous incompressible Navier-Stokes equations for the flow, Newton's law for the point mass and equilibrium equations at the interface form one large monolithic system. The fully implicit FSI approach uses coincidents nodes on the fluid-structure interface, so that loads, velocities and displacements are evaluated at the same location and at the same time. The problem is solved in an implicit manner using a Newton-Raphson pseudo-solid finite element approach. High-order implicit Runge-Kutta time integrators are implemented (up to 5th order) to improve the accuracy and reduce the computational cost. In this context of stiff interaction problems, the highly stable fully implicit one-step approach is an original alternative to traditional multistep or explicit one-step finite element approaches. The methodology has been verified with three different test-cases. Thorough time-step refinement studies for a

  12. Tenant mix structure in shopping centres: some empirical analyses from Poland

    Directory of Open Access Journals (Sweden)

    Bartłomiej Marona

    2016-06-01

    Full Text Available Objective: The objective of this paper is to find an ideal tenant mix structure for the current shopping centres in Upper Silesian Urban Area Region in Poland, taking under consideration consumer preferences and behaviour. Research Design & Methods: Apart from literature review, empirical research is based on a survey questionnaire. The Analytic Hierarchy Process was applied in the analysis of the data collected. Findings: The research confirmed that to a great extent the valid tenant mix structure in the surveyed shopping centres meets with friendly attitude of customers. However, there are areas where improvement can increase the visitors’ satisfaction. Moreover, it was proven that shopping remains the main reason for customers’ visits in shopping centres, in spite of extending the offer of this type of places with new functions. Implications & Recommendations: Real estate managers are recommended to take actions aiming at increasing competitiveness on the market via the extension of the proposed shopping offer and their adjustment to customers’ expectations. For the managers, the results of the conducted research suggest lack of the necessity for radical transformations, and transforming Polish shopping centres into facilities of the fourth and fifth generation, which is slow in Poland, is, as it turns out, not necessarily expected, since customers identify shopping centres mainly with their traditional function. Contribution & Value Added: The proposed research model and findings can serve as a useful lens within the research of tenant mix structure in shopping centres in other parts of the Poland.

  13. Elucidation of the effect of ionic liquid pretreatment on rice husk via structural analyses

    Directory of Open Access Journals (Sweden)

    Ang Teck

    2012-09-01

    Full Text Available Abstract Background In the present study, three ionic liquids, namely 1-butyl-3-methylimidazolium chloride ([BMIM]Cl, 1-ethyl-3-methylimidazolium acetate ([EMIM]OAc, and 1-ethyl-3-methylimidazolium diethyl phosphate ([EMIM]DEP, were used to partially dissolve rice husk, after which the cellulose were regenerated by the addition of water. The aim of the investigation is to examine the implications of the ionic liquid pretreatments on rice husk composition and structure. Results From the attenuated total reflectance Fourier transform-infrared (ATR FT-IR spectroscopy, X-ray diffraction (XRD and scanning electron microscopy (SEM results, the regenerated cellulose were more amorphous, less crystalline, and possessed higher structural disruption compared with untreated rice husk. The major component of regenerated cellulose from [BMIM]Cl and [EMIM]DEP pretreatments was cellulose-rich material, while cellulose regenerated from [EMIM]OAc was a matrix of cellulose and lignin. Cellulose regenerated from ionic pretreatments could be saccharified via enzymatic hydrolysis, and resulted in relatively high reducing sugars yields, whereas enzymatic hydrolysis of untreated rice husk did not yield reducing sugars. Rice husk residues generated from the ionic liquid pretreatments had similar chemical composition and amorphousity to that of untreated rice husk, but with varying extent of surface disruption and swelling. Conclusions The structural architecture of the regenerated cellulose and rice husk residues showed that they could be used for subsequent fermentation or derivation of cellulosic compounds. Therefore, ionic liquid pretreatment is an alternative in the pretreatment of lignocellulosic biomass in addition to the conventional chemical pretreatments.

  14. Trophic structure of a coastal fish community determined with diet and stable isotope analyses.

    Science.gov (United States)

    Malek, A J; Collie, J S; Taylor, D L

    2016-09-01

    A combination of dietary guild analysis and nitrogen (δ(15) N) and carbon (δ(13) C) stable-isotope analysis was used to assess the trophic structure of the fish community in Rhode Island and Block Island Sounds, an area off southern New England identified for offshore wind energy development. In the autumn of 2009, 2010 and 2011, stomach and tissue samples were taken from 20 fish and invertebrate species for analysis of diet composition and δ(15) N and δ(13) C signatures. The food chain in Rhode Island and Block Island Sounds comprises approximately four trophic levels within which the fish community is divided into distinct dietary guilds, including planktivores, benthivores, crustacivores and piscivores. Within these guilds, inter-species isotopic and dietary overlap is high, suggesting that resource partitioning or competitive interactions play a major role in structuring the fish community. Carbon isotopes indicate that most fishes are supported by pelagic phytoplankton, although there is evidence that benthic production also plays a role, particularly for obligate benthivores such as skates Leucoraja spp. This type of analysis is useful for developing an ecosystem-based approach to management, as it identifies species that act as direct links to basal resources as well as species groups that share trophic roles.

  15. Analyses of structure of planetary boundary layer in ice camp over Arctic ocean

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The vertical structure of Planetary boundary layer over Arctic floating ice is presented by using about 50 atmospheric profiles and relevant data sounded at an ice station over Arctic Ocean from 22 August to 3 September, 2003. It shows that the height of the convective boundary layer in day is greater than that of the stability boundary layer in night. The boundary layer can be described as vertical structures of stability, instability and multipling The interaction between relative warm and wet down draft air from up level and cool air of surface layer is significant, which causes stronger wind shear, temperature and humidity inversion with typical wind shear of 10 m/s/100 m, intensity of temperature inversion of 8 ℃/100 m. While the larger pack ice is broken by such process, new ice free area in the high latitudes of arctic ocean. The interactions between air/ice/water are enhanced. The fact helps to understanding characteristics of atmospheric boundary layer and its effect in Arctic floating ice region.

  16. In silico analyses of dystrophin Dp40 cellular distribution, nuclear export signals and structure modeling

    Directory of Open Access Journals (Sweden)

    Alejandro Martínez-Herrera

    2015-09-01

    Full Text Available Dystrophin Dp40 is the shortest protein encoded by the DMD (Duchenne muscular dystrophy gene. This protein is unique since it lacks the C-terminal end of dystrophins. In this data article, we describe the subcellular localization, nuclear export signals and the three-dimensional structure modeling of putative Dp40 proteins using bioinformatics tools. The Dp40 wild type protein was predicted as a cytoplasmic protein while the Dp40n4 was predicted to be nuclear. Changes L93P and L170P are involved in the nuclear localization of Dp40n4 protein. A close analysis of Dp40 protein scored that amino acids 93LEQEHNNLV101 and 168LLLHDSIQI176 could function as NES sequences and the scores are lost in Dp40n4. In addition, the changes L93/170P modify the tertiary structure of putative Dp40 mutants. The analysis showed that changes of residues 93 and 170 from leucine to proline allow the nuclear localization of Dp40 proteins. The data described here are related to the research article entitled “EF-hand domains are involved in the differential cellular distribution of dystrophin Dp40” (J. Aragón et al. Neurosci. Lett. 600 (2015 115–120 [1].

  17. Crystal structure and biochemical analyses reveal Beclin 1 as a novel membrane binding protein

    Institute of Scientific and Technical Information of China (English)

    Weijiao Huang; Feng-Liang Wang; Haiteng Deng; Lei Liu; Ning Gao; Li Yu; Yigong Shi; Wooyoung Choi; Wanqiu Hu; Na Mi; Qiang Guo; Meisheng Ma; Mei Liu; Yuan Tian; Peilong Lu

    2012-01-01

    The Beclin 1 gene is a haplo-insufficient tumor suppressor and plays an essential role in autophagy.However,the molecular mechanism by which Beclin 1 functions remains largely unknown.Here we report the crystal structure of the evolutionarily conserved domain(ECD)of Beclin 1 at 1.6(A)resolution.Beclin 1 ECD exhibits a previously unreported fold,with three structural repeats arranged symmetrically around a central axis.Beclin 1 ECD defines a novel class of membrane-binding domain,with a strong preference for lipid membrane enriched with cardiolipin.The tip of a surface loop in Beclin 1 ECD,comprising three aromatic amino acids,acts as a hydrophobic finger to associate with lipid membrane,consequently resulting in the deformation of membrane and liposomes.Mutation of these aromatic residues rendered Beclin 1 unable to stably associate with lipid membrane in vitro and unable to fully rescue autophagy in Beclin 1-knockdown cells in vivo.These observations form an important framework for deciphering the biological functions of Beclin 1.

  18. Functional and structural analyses of a 1,4-β-endoglucanase from Ganoderma lucidum.

    Science.gov (United States)

    Liu, Guizhi; Li, Qian; Shang, Na; Huang, Jian-Wen; Ko, Tzu-Ping; Liu, Weidong; Zheng, Yingying; Han, Xu; Chen, Yun; Chen, Chun-Chi; Jin, Jian; Guo, Rey-Ting

    2016-05-01

    Ganoderma lucidum is a saprotrophic white-rot fungus which contains a rich set of cellulolytic enzymes. Here, we screened an array of potential 1,4-β-endoglucanases from G. lucidum based on the gene annotation library and found that one candidate gene, GlCel5A, exhibits CMC-hydrolyzing activity. The recombinant GlCel5A protein expressed in Pichia pastoris is able to hydrolyze CMC and β-glucan but not xylan and mannan. The enzyme exhibits optimal activity at 60°C and pH 3-4, and retained 50% activity at 80 and 90°C for at least 15 and 10min. The crystal structure of GlCel5A and its complex with cellobiose, solved at 2.7 and 2.86Å resolution, shows a classical (β/α)8 TIM-barrel fold as seen in other members of glycoside hydrolase family 5. The complex structure contains a cellobiose molecule in the +1 and +2 subsites, and reveals the interactions with the positive sites of the enzyme. Collectively, the present work provides the first comprehensive characterization of an endoglucanase from G. lucidum that possesses properties for industrial applications, and strongly encourages further studying in the cellulolytic enzyme system of G. lucidum.

  19. Information theory: Sources, Dirichlet series, and realistic analyses of data structures

    CERN Document Server

    Roux, Mathieu; 10.4204/EPTCS.63.26

    2011-01-01

    Most of the text algorithms build data structures on words, mainly trees, as digital trees (tries) or binary search trees (bst). The mechanism which produces symbols of the words (one symbol at each unit time) is called a source, in information theory contexts. The probabilistic behaviour of the trees built on words emitted by the same source depends on two factors: the algorithmic properties of the tree, together with the information-theoretic properties of the source. Very often, these two factors are considered in a too simplified way: from the algorithmic point of view, the cost of the Bst is only measured in terms of the number of comparisons between words --from the information theoretic point of view, only simple sources (memoryless sources or Markov chains) are studied. We wish to perform here a realistic analysis, and we choose to deal together with a general source and a realistic cost for data structures: we take into account comparisons between symbols, and we consider a general model of source, r...

  20. The Mitochondrial Genomes of Aquila fasciata and Buteo lagopus (Aves, Accipitriformes: Sequence, Structure and Phylogenetic Analyses.

    Directory of Open Access Journals (Sweden)

    Lan Jiang

    Full Text Available The family Accipitridae is one of the largest groups of non-passerine birds, including 68 genera and 243 species globally distributed. In the present study, we determined the complete mitochondrial sequences of two species of accipitrid, namely Aquila fasciata and Buteo lagopus, and conducted a comparative mitogenome analysis across the family. The mitogenome length of A. fasciata and B. lagopus are 18,513 and 18,559 bp with an A + T content of 54.2% and 55.0%, respectively. For both the two accipitrid birds mtDNAs, obvious positive AT-skew and negative GC-skew biases were detected for all 12 PCGs encoded by the H strand, whereas the reverse was found in MT-ND6 encoded by the L strand. One extra nucleotide'C'is present at the position 174 of MT-ND3 gene of A. fasciata, which is not observed at that of B. lagopus. Six conserved sequence boxes in the Domain II, named boxes F, E, D, C, CSBa, and CSBb, respectively, were recognized in the CRs of A. fasciata and B. lagopus. Rates and patterns of mitochondrial gene evolution within Accipitridae were also estimated. The highest dN/dS was detected for the MT-ATP8 gene (0.32493 among Accipitridae, while the lowest for the MT-CO1 gene (0.01415. Mitophylogenetic analysis supported the robust monophyly of Accipitriformes, and Cathartidae was basal to the balance of the order. Moreover, we performed phylogenetic analyses using two other data sets (two mitochondrial loci, and combined nuclear and mitochondrial loci. Our results indicate that the subfamily Aquilinae and all currently polytypic genera of this subfamily are monophyletic. These two novel mtDNA data will be useful in refining the phylogenetic relationships and evolutionary processes of Accipitriformes.

  1. The Mitochondrial Genomes of Aquila fasciata and Buteo lagopus (Aves, Accipitriformes): Sequence, Structure and Phylogenetic Analyses.

    Science.gov (United States)

    Jiang, Lan; Chen, Juan; Wang, Ping; Ren, Qiongqiong; Yuan, Jian; Qian, Chaoju; Hua, Xinghong; Guo, Zhichun; Zhang, Lei; Yang, Jianke; Wang, Ying; Zhang, Qin; Ding, Hengwu; Bi, De; Zhang, Zongmeng; Wang, Qingqing; Chen, Dongsheng; Kan, Xianzhao

    2015-01-01

    The family Accipitridae is one of the largest groups of non-passerine birds, including 68 genera and 243 species globally distributed. In the present study, we determined the complete mitochondrial sequences of two species of accipitrid, namely Aquila fasciata and Buteo lagopus, and conducted a comparative mitogenome analysis across the family. The mitogenome length of A. fasciata and B. lagopus are 18,513 and 18,559 bp with an A + T content of 54.2% and 55.0%, respectively. For both the two accipitrid birds mtDNAs, obvious positive AT-skew and negative GC-skew biases were detected for all 12 PCGs encoded by the H strand, whereas the reverse was found in MT-ND6 encoded by the L strand. One extra nucleotide'C'is present at the position 174 of MT-ND3 gene of A. fasciata, which is not observed at that of B. lagopus. Six conserved sequence boxes in the Domain II, named boxes F, E, D, C, CSBa, and CSBb, respectively, were recognized in the CRs of A. fasciata and B. lagopus. Rates and patterns of mitochondrial gene evolution within Accipitridae were also estimated. The highest dN/dS was detected for the MT-ATP8 gene (0.32493) among Accipitridae, while the lowest for the MT-CO1 gene (0.01415). Mitophylogenetic analysis supported the robust monophyly of Accipitriformes, and Cathartidae was basal to the balance of the order. Moreover, we performed phylogenetic analyses using two other data sets (two mitochondrial loci, and combined nuclear and mitochondrial loci). Our results indicate that the subfamily Aquilinae and all currently polytypic genera of this subfamily are monophyletic. These two novel mtDNA data will be useful in refining the phylogenetic relationships and evolutionary processes of Accipitriformes.

  2. Meiotic Recombination Analyses in Pigs Carrying Different Balanced Structural Chromosomal Rearrangements.

    Directory of Open Access Journals (Sweden)

    Nicolas Mary

    Full Text Available Correct pairing, synapsis and recombination between homologous chromosomes are essential for normal meiosis. All these events are strongly regulated, and our knowledge of the mechanisms involved in this regulation is increasing rapidly. Chromosomal rearrangements are known to disturb these processes. In the present paper, synapsis and recombination (number and distribution of MLH1 foci were studied in three boars (Sus scrofa domestica carrying different chromosomal rearrangements. One (T34he was heterozygote for the t(3;4(p1.3;q1.5 reciprocal translocation, one (T34ho was homozygote for that translocation, while the third (T34Inv was heterozygote for both the translocation and a pericentric inversion inv(4(p1.4;q2.3. All three boars were normal for synapsis and sperm production. This particular situation allowed us to rigorously study the impact of rearrangements on recombination. Overall, the rearrangements induced only minor modifications of the number of MLH1 foci (per spermatocyte or per chromosome and of the length of synaptonemal complexes for chromosomes 3 and 4. The distribution of MLH1 foci in T34he was comparable to that of the controls. Conversely, the distributions of MLH1 foci on chromosome 4 were strongly modified in boar T34Inv (lack of crossover in the heterosynaptic region of the quadrivalent, and crossover displaced to the chromosome extremities, and also in boar T34ho (two recombination peaks on the q-arms compared with one of higher magnitude in the controls. Analyses of boars T34he and T34Inv showed that the interference was propagated through the breakpoints. A different result was obtained for boar T34ho, in which the breakpoints (transition between SSC3 and SSC4 chromatin on the bivalents seemed to alter the transmission of the interference signal. Our results suggest that the number of crossovers and crossover interference could be regulated by partially different mechanisms.

  3. Mathematical and computational analyses of cracking formation fracture morphology and its evolution in engineering materials and structures

    CERN Document Server

    Sumi, Yoichi

    2014-01-01

    This book is about the pattern formation and the evolution of crack propagation in engineering materials and structures, bridging mathematical analyses of cracks based on singular integral equations, to computational simulation of engineering design. The first two parts of this book focus on elasticity and fracture and provide the basis for discussions on fracture morphology and its numerical simulation, which may lead to a simulation-based fracture control in engineering structures. Several design concepts are discussed for the prevention of fatigue and fracture in engineering structures, including safe-life design, fail-safe design, damage tolerant design. After starting with basic elasticity and fracture theories in parts one and two, this book focuses on the fracture morphology that develops due to the propagation of brittle cracks or fatigue cracks.   In part three, the mathematical analysis of a curved crack is precisely described, based on the perturbation method. The stability theory of interactive ...

  4. Reporting Results from Structural Equation Modeling Analyses in Archives of Scientific Psychology.

    Science.gov (United States)

    Hoyle, Rick H; Isherwood, Jennifer C

    2013-02-01

    Psychological research typically involves the analysis of data (e.g., questionnaire responses, records of behavior) using statistical methods. The description of how those methods are used and the results they produce is a key component of scholarly publications. Despite their importance, these descriptions are not always complete and clear. In order to ensure the completeness and clarity of these descriptions, the Archives of Scientific Psychology requires that authors of manuscripts to be considered for publication adhere to a set of publication standards. Although the current standards cover most of the statistical methods commonly used in psychological research, they do not cover them all. In this manuscript, we propose adjustments to the current standards and the addition of additional standards for a statistical method not adequately covered in the current standards-structural equation modeling (SEM). Adherence to the standards we propose would ensure that scholarly publications that report results of data analyzed using SEM are complete and clear.

  5. Sequencing and analyses of all known human rhinovirus genomes reveal structure and evolution.

    Science.gov (United States)

    Palmenberg, Ann C; Spiro, David; Kuzmickas, Ryan; Wang, Shiliang; Djikeng, Appolinaire; Rathe, Jennifer A; Fraser-Liggett, Claire M; Liggett, Stephen B

    2009-04-03

    Infection by human rhinovirus (HRV) is a major cause of upper and lower respiratory tract disease worldwide and displays considerable phenotypic variation. We examined diversity by completing the genome sequences for all known serotypes (n = 99). Superimposition of capsid crystal structure and optimal-energy RNA configurations established alignments and phylogeny. These revealed conserved motifs; clade-specific diversity, including a potential newly identified species (HRV-D); mutations in field isolates; and recombination. In analogy with poliovirus, a hypervariable 5' untranslated region tract may affect virulence. A configuration consistent with nonscanning internal ribosome entry was found in all HRVs and may account for rapid translation. The data density from complete sequences of the reference HRVs provided high resolution for this degree of modeling and serves as a platform for full genome-based epidemiologic studies and antiviral or vaccine development.

  6. Age-related changes of normal adult brain structure: analysed with diffusion tensor imaging

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yun-ting; ZHANG Chun-yan; ZHANG Jing; LI Wei

    2005-01-01

    Background It is known that the brain structure changes with normal aging. The objective of this study was to quantify the anisotropy and average diffusion coefficient (DCavg) of the brain in normal adults to demonstrate the microstructure changes of brain with aging.Methods One hundred and six normal adults were examined with diffusion tensor imaging (DTI). The fractional anisotropy (FA), 1-volume ratio (1-VR), relative anisotropy (RA) and average diffusion coefficient (DCavg) of different anatomic sites of brain were measured, correlated with age and compared among three broad age groups.Results Except in lentiform nucleus, the anisotropy increased and DCavg decreased with aging. Both anisotropy and DCavg of lentiform nucleus increased with aging. The normal reference values of DTI parameters of normal Chinese adult in major anatomic sites were acquired. Conclusions DTI data obtained noninvasively can reflect the microstructural changes with aging. The normal reference values acquired can serve as reference standards in differentiation of brain white matter diseases.

  7. Analysis of metal-matrix composite structures. I - Micromechanics constitutive theory. II - Laminate analyses

    Science.gov (United States)

    Arenburg, R. T.; Reddy, J. N.

    1991-01-01

    The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.

  8. Structural Response of Submerged Air-Backed Plates by Experimental and Numerical Analyses

    Directory of Open Access Journals (Sweden)

    Lloyd Hammond

    2000-01-01

    Full Text Available This paper presents the results of a series of small-scale underwater shock experiments that measured the structural responses of submerged, fully clamped, air-backed, steel plates to a range of high explosive charge sizes. The experimental results were subsequently used to validate a series of simulations using the coupled LS-DYNA/USA finite element/boundary element codes. The modelling exercise was complicated by a significant amount of local cavitation occurring in the fluid adjacent to the plate and difficulties in modelling the boundary conditions of the test plates. The finite element model results satisfactorily predicted the displacement-time history of the plate over a range of shock loadings although a less satisfactory correlation was achieved for the peak velocities. It is expected that the predictive capability of the finite element model will be significantly improved once hydrostatic initialisation can be fully utilised with the LS-DYNA/USA software.

  9. Mathematical modeling of materially nonlinear problems in structural analyses, Part II: Application in contemporary software

    Directory of Open Access Journals (Sweden)

    Bonić Zoran

    2010-01-01

    Full Text Available The paper presents application of nonlinear material models in the software package Ansys. The development of the model theory is presented in the paper of the mathematical modeling of material nonlinear problems in structural analysis (part I - theoretical foundations, and here is described incremental-iterative procedure for solving problems of nonlinear material used by this package and an example of modeling of spread footing by using Bilinear-kinematics and Drucker-Prager mode was given. A comparative analysis of the results obtained by these modeling and experimental research of the author was made. Occurrence of the load level that corresponds to plastic deformation was noted, development of deformations with increasing load, as well as the distribution of dilatation in the footing was observed. Comparison of calculated and measured values of reinforcement dilatation shows their very good agreement.

  10. Analysing green supply chain management practices in Brazil's electrical/electronics industry using interpretive structural modelling

    DEFF Research Database (Denmark)

    Govindan, Kannan; Kannan, Devika; Mathiyazhagan, K.

    2013-01-01

    Industries need to adopt the environmental management concepts in the traditional supply chain management. The green supply chain management (GSCM) is an established concept to ensure environment-friendly activities in industry. This paper identifies the relationship of driving and dependence...... that exists between GSCM practices with regard to their adoption within Brazilian electrical/electronic industry with the help of interpretive structural modelling (ISM). From the results, we infer that cooperation with customers for eco-design practice is driving other practices, and this practice acts...... as a vital role among other practices. Commitment to GSCM from senior managers and cooperation with customers for cleaner production occupy the highest level. © 2013 © 2013 Taylor & Francis....

  11. A hybrid approach to analyse a beam-soil structure under a moving random load

    Science.gov (United States)

    Si, L. T.; Zhao, Y.; Zhang, Y. H.; Kennedy, D.

    2016-11-01

    To study the stochastic response of a beam-soil structure under a moving random load, a hybrid approach based on the pseudo-excitation method and the wavelet method is proposed. Using the pseudo-excitation method, the non-stationary random vibration analysis is transformed into a conventional moving harmonic load problem. Analytical solutions of the power spectral density and standard deviation of vertical displacement are derived in an integral form. However, the integrand is singular and highly oscillatory, and the computational time is an important consideration because a large number of frequency points must be computed. To calculate the response accurately and efficiently, a wavelet approach is introduced. Numerical results show that the frequency band which brings the most significant response is dependent on the load velocity. The hybrid method provides a useful tool to estimate the ground vibration caused by traffic loads.

  12. Glucokinase gene mutations: structural and genotype-phenotype analyses in MODY children from South Italy.

    Directory of Open Access Journals (Sweden)

    Nadia Tinto

    Full Text Available BACKGROUND: Maturity onset diabetes of the young type 2 (or GCK MODY is a genetic form of diabetes mellitus provoked by mutations in the glucokinase gene (GCK. METHODOLOGY/PRINCIPAL FINDINGS: We screened the GCK gene by direct sequencing in 30 patients from South Italy with suspected MODY. The mutation-induced structural alterations in the protein were analyzed by molecular modeling. The patients' biochemical, clinical and anamnestic data were obtained. Mutations were detected in 16/30 patients (53%; 9 of the 12 mutations identified were novel (p.Glu70Asp, p.Phe123Leu, p.Asp132Asn, p.His137Asp, p.Gly162Asp, p.Thr168Ala, p.Arg392Ser, p.Glu290X, p.Gln106_Met107delinsLeu and are in regions involved in structural rearrangements required for catalysis. The prevalence of mutation sites was higher in the small domain (7/12: approximately 59% than in the large (4/12: 33% domain or in the connection (1/12: 8% region of the protein. Mild diabetic phenotypes were detected in almost all patients [mean (SD OGTT = 7.8 mMol/L (1.8] and mean triglyceride levels were lower in mutated than in unmutated GCK patients (p = 0.04. CONCLUSIONS: The prevalence of GCK MODY is high in southern Italy, and the GCK small domain is a hot spot for MODY mutations. Both the severity of the GCK mutation and the genetic background seem to play a relevant role in the GCK MODY phenotype. Indeed, a partial genotype-phenotype correlation was identified in related patients (3 pairs of siblings but not in two unrelated children bearing the same mutation. Thus, the molecular approach allows the physician to confirm the diagnosis and to predict severity of the mutation.

  13. Analysing the transverse structure of the relativistic jets of active galactic nuclei

    Science.gov (United States)

    Murphy, E.; Cawthorne, T. V.; Gabuzda, D. C.

    2013-04-01

    This paper describes a method of fitting total intensity and polarization profiles in very long baseline interferometry (VLBI) images of astrophysical jets to profiles predicted by a theoretical model. As an example, the method is used to fit profiles of the jet in the active galactic nucleus (AGN) Mrk 501 with profiles predicted by a model in which a cylindrical jet of synchrotron plasma is threaded by a magnetic field with helical and disordered components. This fitting yields model Stokes Q profiles that agree with the observed profiles to within the 1-2σ uncertainties; the I model and observed profiles are overall not in such good agreement, with the model I profiles being generally more symmetrical than the observed profiles. Consistent fitting results are obtained for profiles derived from 6-cm VLBI images at two distances from the core, and also for profiles obtained for different wavelengths at a single location in the VLBI jet. The most striking success of the model is its ability to reproduce the spine-sheath polarization structure observed across the jet. Using the derived viewing angle in the jet rest frame, δ' ≃ 83°, together with a superluminal speed reported in the literature, βapp = 3.3, yields a solution for the viewing angle and velocity of the jet in the observer's frame, δ ≃ 15° and β ≃ 0.96. Although these results for Mrk 501 must be considered tentative, the combined analysis of polarization profiles and apparent component speeds holds promise as a means of further elucidating the magnetic field structures and other parameters of parsec-scale AGN jets.

  14. An improved lake model for climate simulations: Model structure, evaluation, and sensitivity analyses in CESM1

    Directory of Open Access Journals (Sweden)

    Zachary Subin

    2012-02-01

    Full Text Available Lakes can influence regional climate, yet most general circulation models have, at best, simple and largely untested representations of lakes. We developed the Lake, Ice, Snow, and Sediment Simulator(LISSS for inclusion in the land-surface component (CLM4 of an earth system model (CESM1. The existing CLM4 lake modelperformed poorly at all sites tested; for temperate lakes, summer surface water temperature predictions were 10–25uC lower than observations. CLM4-LISSS modifies the existing model by including (1 a treatment of snow; (2 freezing, melting, and ice physics; (3 a sediment thermal submodel; (4 spatially variable prescribed lakedepth; (5 improved parameterizations of lake surface properties; (6 increased mixing under ice and in deep lakes; and (7 correction of previous errors. We evaluated the lake model predictions of water temperature and surface fluxes at three small temperate and boreal lakes where extensive observational data was available. We alsoevaluated the predicted water temperature and/or ice and snow thicknesses for ten other lakes where less comprehensive forcing observations were available. CLM4-LISSS performed very well compared to observations for shallow to medium-depth small lakes. For large, deep lakes, the under-prediction of mixing was improved by increasing the lake eddy diffusivity by a factor of 10, consistent with previouspublished analyses. Surface temperature and surface flux predictions were improved when the aerodynamic roughness lengths were calculated as a function of friction velocity, rather than using a constant value of 1 mm or greater. We evaluated the sensitivity of surface energy fluxes to modeled lake processes and parameters. Largechanges in monthly-averaged surface fluxes (up to 30 W m22 were found when excluding snow insulation or phase change physics and when varying the opacity, depth, albedo of melting lake ice, and mixing strength across ranges commonly found in real lakes. Typical

  15. Structural and spectroscopic analyses of europium doped yttrium oxyfluoride powders prepared by combustion synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Rakov, Nikifor [PG-Ciência dos Materiais, Universidade Federal do Vale do São Francisco, 48902-300 Juazeiro, BA (Brazil); Guimarães, R. B.; Maciel, Glauco S. [Instituto de Física, Universidade Federal Fluminense, 24210-346 Niterói, RJ (Brazil); Lozano B, W. [Departamento de Física, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil)

    2013-07-28

    A facile widely spread technique employed to produce low-cost high-yield oxide powders, combustion synthesis, was used to prepare yttrium oxyfluoride crystalline ceramic powders. The structure of the powders was analyzed by X-ray powder diffraction and Rietveld refinement. Samples heat treated at 700 °C had a predominance of vernier orthorhombic Y{sub 6}O{sub 5}F{sub 8} phase, while samples heat treated at 800 °C crystallized in stoichiometric rhombohedral YOF phase. The samples were doped with luminescent europium trivalent ions (Eu{sup 3+}) in different concentrations (1–15 wt.%) and Judd-Ofelt theory was used to probe the distortion from the inversion symmetry of the local crystal field and the degree of covalency between the rare-earth ion and the surrounding ligands. The luminescence lifetime was measured and the luminescence quantum efficiency (LQE) was estimated. We observed that Eu{sup 3+}:Y{sub 6}O{sub 5}F{sub 8} samples presented higher LQE in spite of the larger local crystal field anisotropy found for Eu{sup 3+}:YOF samples.

  16. Structural and spectroscopic analyses of europium doped yttrium oxyfluoride powders prepared by combustion synthesis

    Science.gov (United States)

    Rakov, Nikifor; Guimarães, R. B.; Lozano B., W.; Maciel, Glauco S.

    2013-07-01

    A facile widely spread technique employed to produce low-cost high-yield oxide powders, combustion synthesis, was used to prepare yttrium oxyfluoride crystalline ceramic powders. The structure of the powders was analyzed by X-ray powder diffraction and Rietveld refinement. Samples heat treated at 700 °C had a predominance of vernier orthorhombic Y6O5F8 phase, while samples heat treated at 800 °C crystallized in stoichiometric rhombohedral YOF phase. The samples were doped with luminescent europium trivalent ions (Eu3+) in different concentrations (1-15 wt.%) and Judd-Ofelt theory was used to probe the distortion from the inversion symmetry of the local crystal field and the degree of covalency between the rare-earth ion and the surrounding ligands. The luminescence lifetime was measured and the luminescence quantum efficiency (LQE) was estimated. We observed that Eu3+:Y6O5F8 samples presented higher LQE in spite of the larger local crystal field anisotropy found for Eu3+:YOF samples.

  17. Phytophthora community structure analyses in Oregon nurseries inform systems approaches to disease management.

    Science.gov (United States)

    Parke, Jennifer L; Knaus, Brian J; Fieland, Valerie J; Lewis, Carrie; Grünwald, Niklaus J

    2014-10-01

    Nursery plants are important vectors for plant pathogens. Understanding what pathogens occur in nurseries in different production stages can be useful to the development of integrated systems approaches. Four horticultural nurseries in Oregon were sampled every 2 months for 4 years to determine the identity and community structure of Phytophthora spp. associated with different sources and stages in the nursery production cycle. Plants, potting media, used containers, water, greenhouse soil, and container yard substrates were systematically sampled from propagation to the field. From 674 Phytophthora isolates recovered, 28 different species or taxa were identified. The most commonly isolated species from plants were Phytophthora plurivora (33%), P. cinnamomi (26%), P. syringae (19%), and P. citrophthora (11%). From soil and gravel substrates, P. plurivora accounted for 25% of the isolates, with P. taxon Pgchlamydo, P. cryptogea, and P. cinnamomi accounting for 18, 17, and 15%, respectively. Five species (P. plurivora, P. syringae, P. taxon Pgchlamydo, P. gonapodyides, and P. cryptogea) were found in all nurseries. The greatest diversity of taxa occurred in irrigation water reservoirs (20 taxa), with the majority of isolates belonging to internal transcribed spacer clade 6, typically including aquatic opportunists. Nurseries differed in composition of Phytophthora communities across years, seasons, and source within the nursery. These findings suggest likely contamination hazards and target critical control points for management of Phytophthora disease using a systems approach.

  18. Nanoscale “Quantum” Islands on Metal Substrates: Microscopy Studies and Electronic Structure Analyses

    Directory of Open Access Journals (Sweden)

    Da-Jiang Liu

    2010-07-01

    Full Text Available Confinement of electrons can occur in metal islands or in continuous films grown heteroepitaxially upon a substrate of a different metal or on a metallic alloy. Associated quantum size effects (QSE can produce a significant height-dependence of the surface free energy for nanoscale thicknesses of up to 10–20 layers. This may suffice to induce height selection during film growth. Scanning STM analysis has revealed remarkable flat-topped or mesa-like island and film morphologies in various systems. We discuss in detail observations of QSE and associated film growth behavior for Pb/Cu(111, Ag/Fe(100, and Cu/fcc-Fe/Cu(100 [A/B or A/B/A], and for Ag/NiAl(110 with brief comments offered for Fe/Cu3Au(001 [A/BC binary alloys]. We also describe these issues for Ag/5-fold i-Al-Pd-Mn and Bi/5-fold i-Al-Cu-Fe [A/BCD ternary icosohedral quasicrystals]. Electronic structure theory analysis, either at the level of simple free electron gas models or more sophisticated Density Functional Theory calculations, can provide insight into the QSE-mediated thermodynamic driving force underlying height selection.

  19. A large format in operando wound cell for analysing the structural dynamics of lithium insertion materials

    Science.gov (United States)

    Brant, William R.; Roberts, Matthew; Gustafsson, Torbjörn; Biendicho, Jordi Jacas; Hull, Stephen; Ehrenberg, Helmut; Edström, Kristina; Schmid, Siegbert

    2016-12-01

    This paper presents a large wound cell for in operando neutron diffraction (ND) from which high quality diffraction patterns are collected every 15 min while maintaining conventional electrochemical performance. Under in operando data collection conditions the oxygen atomic displacement parameters (ADPs) and cell parameters were extracted for Li0.18Sr0.66Ti0.5Nb0.5O3. Analysis of diffraction data collected under in situ conditions revealed that the lithium is located on the (0.5 0.5 0) site, corresponding to the 3c Wyckoff position in the cubic perovskite unit cell, after the cell is discharged to 1 V. When the cell is discharged under potentiostatic conditions the quantity of lithium on this site increases, indicating a potential position where lithium becomes pinned in the thermodynamically stable phase. During this potentiostatic step the oxygen ADPs reduce significantly. On discharge, however, the oxygen ADPs were observed to increase gradually as more lithium is inserted into the structure. Finally, the rate of unit cell expansion changed by ∼44% once the lithium content approached ∼0.17 Li per formula unit. A link between lithium content and degree of mobility, disorder of the oxygen positions and changing rate of unit cell expansion at various stages during lithium insertion and extraction is thus presented.

  20. Structured multiplicity and confirmatory statistical analyses in pharmacodynamic studies using the quantitative electroencephalogram.

    Science.gov (United States)

    Ferber, Georg; Staner, Luc; Boeijinga, Peter

    2011-09-30

    Pharmacodynamic (PD) clinical studies are characterised by a high degree of multiplicity. This multiplicity is the result of the design of these studies that typically investigate effects of a number of biomarkers at various doses and multiple time points. Measurements are taken at many or all points of a "hyper-grid" that can be understood as the cross-product of a number of dimensions each of which has typically 3-30 discrete values. This exploratory design helps understanding the phenomena under investigation, but has made a confirmatory statistical analysis of these studies difficult, so that such an analysis is often missing in this type of studies. In this contribution we show that the cross-product structure of PD studies allows to combine several well-known techniques to address multiplicity in an effective way, so that a confirmatory analysis of these studies becomes feasible without unrealistic loss of power. We demonstrate the application of this technique in two studies that use the quantitative EEG (qEEG) as biomarker for drug activity at the GABA-A receptor. QEEG studies suffer particularly from the curse of multiplicity, since, in addition to the common dimensions like dose and time, the qEEG is measured at many locations over the scalp and in a number of frequency bands which inflate the multiplicity by a factor of about 250.

  1. Combining microtomy and confocal laser scanning microscopy for structural analyses of plant-fungus associations.

    Science.gov (United States)

    Rath, Magnus; Grolig, Franz; Haueisen, Janine; Imhof, Stephan

    2014-05-01

    The serious problem of extended tissue thickness in the analysis of plant-fungus associations was overcome using a new method that combines physical and optical sectioning of the resin-embedded sample by microtomy and confocal microscopy. Improved tissue infiltration of the fungal-specific, high molecular weight fluorescent probe wheat germ agglutinin conjugated to Alexa Fluor® 633 resulted in high fungus-specific fluorescence even in deeper tissue sections. If autofluorescence was insufficient, additional counterstaining with Calcofluor White M2R or propidium iodide was applied in order to visualise the host plant tissues. Alternatively, the non-specific fluorochrome acid fuchsine was used for rapid staining of both, the plant and the fungal cells. The intricate spatial arrangements of the plant and fungal cells were preserved by immobilization in the hydrophilic resin Unicryl™. Microtomy was used to section the resin-embedded roots or leaves until the desired plane was reached. The data sets generated by confocal laser scanning microscopy of the remaining resin stubs allowed the precise spatial reconstruction of complex structures in the plant-fungus associations of interest. This approach was successfully tested on tissues from ectomycorrhiza (Betula pendula), arbuscular mycorrhiza (Galium aparine; Polygala paniculata, Polygala rupestris), ericoid mycorrhiza (Calluna vulgaris), orchid mycorrhiza (Limodorum abortivum, Serapias parviflora) and on one leaf-fungus association (Zymoseptoria tritici on Triticum aestivum). The method provides an efficient visualisation protocol applicable with a wide range of plant-fungus symbioses.

  2. Phylogeographic analyses of submesophotic snappers Etelis coruscans and Etelis "marshi" (family Lutjanidae reveal concordant genetic structure across the Hawaiian Archipelago.

    Directory of Open Access Journals (Sweden)

    Kimberly R Andrews

    Full Text Available The Hawaiian Archipelago has become a natural laboratory for understanding genetic connectivity in marine organisms as a result of the large number of population genetics studies that have been conducted across this island chain for a wide taxonomic range of organisms. However, population genetic studies have been conducted for only two species occurring in the mesophotic or submesophotic zones (30+m in this archipelago. To gain a greater understanding of genetic connectivity in these deepwater habitats, we investigated the genetic structure of two submesophotic fish species (occurring ∼200-360 m in this archipelago. We surveyed 16 locations across the archipelago for submesophotic snappers Etelis coruscans (N = 787 and E. "marshi" (formerly E. carbunculus; N = 770 with 436-490 bp of mtDNA cytochrome b and 10-11 microsatellite loci. Phylogeographic analyses reveal no geographic structuring of mtDNA lineages and recent coalescence times that are typical of shallow reef fauna. Population genetic analyses reveal no overall structure across most of the archipelago, a pattern also typical of dispersive shallow fishes. However some sites in the mid-archipelago (Raita Bank to French Frigate Shoals had significant population differentiation. This pattern of no structure between ends of the Hawaiian range, and significant structure in the middle, was previously observed in a submesophotic snapper (Pristipomoides filamentosus and a submesophotic grouper (Hyporthodus quernus. Three of these four species also have elevated genetic diversity in the mid-archipelago. Biophysical larval dispersal models from previous studies indicate that this elevated diversity may result from larval supplement from Johnston Atoll, ∼800 km southwest of Hawaii. In this case the boundaries of stocks for fishery management cannot be defined simply in terms of geography, and fishery management in Hawaii may need to incorporate external larval supply into management

  3. Social Capital and Well-Being: Structural Analyses of Latina Mothers by Nativity.

    Science.gov (United States)

    Held, Mary L; Cuellar, Matthew

    2016-09-01

    Objective This study examined the direct and mediating effects of maternal social capital on health and well-being for native- and foreign-born Latina mothers and their children. Methods Data were drawn from the baseline and nine-year follow up waves of the Fragile Families and Child Well-being Study. The study included a sample of 874 Latina mothers. Mplus7 was used to perform structural equation modeling to determine whether exogenous indicators (age, education, and economic well-being) predicted social capital, whether social capital predicted mother and child well-being, and whether mediating effects helped explain each relationship. Results For native-born Latinas (n = 540), social capital did not predict maternal or child well-being. However, social capital significantly mediated the effects of age, education, and economic well-being on maternal well-being. For foreign-born Latinas (n = 334), social capital was a significant predictor of maternal well-being. Social capital also mediated the effects of age, education, and economic well-being on maternal, but not child well-being. Younger and foreign-born Latinas who report higher educational attainment and economic well-being have greater social capital, and thus better self-reported health. Conclusion Findings suggest that social capital is particularly relevant to the health of foreign-born Latinas. For all Latina mothers, social capital may serve as a protective mitigating factor to better health. Health service providers should evaluate the potential to integrate programs that promote social capital accumulation for Latinas. Further research should examine factors to improve the health of Latinas' children.

  4. Experiments and analyses on melt-structure-water interactions during severe accidents

    Energy Technology Data Exchange (ETDEWEB)

    Seghal, B.R.; Dinh, T.N.; Bui, V.A.; Green, J.A.; Nourgaliev, R.R.; Okkonen, T.O.; Dinh, A.T. [Royal Inst. of Tech., Stockholm (Sweden). Div. of Nuclear Power Safety

    1998-04-01

    This report is the final report for the research project Melt Structure Water Interactions (MSWI). It describes results of analytical and experimental studies concerning MSWI during the course of a hypothetical core meltdown accident in a LWR. Emphasis has been placed on phenomena which govern vessel failure mode and timing and the mechanisms and properties which govern the fragmentation and breakup of melt jets and droplets. It was found that: 2-D effects significantly diminished the focusing effect of an overlying metallic layer on top of an oxide melt pool. This result improves the feasibility of in-vessel retention of a melt pool through external cooling of the lower head; phenomena related to hole ablation and melt discharge, in the event of vessel failure, are affected significantly by crust formation; the jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters but also on the melt physical properties, which change as the melt cools down from liquid to solid temperature; film boiling was investigated by developing a two-phase flow model and inserting it in a multi-D fluid dynamics code. It was concluded that the thickness of the film on the surface of a melt jet would be small and that the effects of the film on the process should not be large. This conclusion is contrary to the modeling employed in some other codes. The computer codes were developed and validated against the data obtained in the MSWI Project. The melt vessel interaction thermal analysis code describes the process of melt pool formation and convection and the resulting vessel thermal loadings. In addition, several innovative models were developed to describe the melt-water interaction process. The code MELT-3D treats the melt jet as a collection of particles whose movement is described with a three-dimensional Eulerian formulation. The model (SIPHRA) tracks the melt jet with an additional equation, using the

  5. Mechanism of Epac Activation: STRUCTURAL AND FUNCTIONAL ANALYSES OF Epac2 HINGE MUTANTS WITH CONSTITUTIVE AND REDUCED ACTIVITIES*

    OpenAIRE

    Tsalkova, Tamara; Blumenthal, Donald K.; Mei, Fang C.; White, Mark A.; Cheng, Xiaodong

    2009-01-01

    Epac2 is a member of the family of exchange proteins directly activated by cAMP (Epac). Our previous studies suggest a model of Epac activation in which cAMP binding to the enzyme induces a localized “hinge” motion that reorients the regulatory lobe relative to the catalytic lobe without inducing large conformational changes within individual lobes. In this study, we identified the location of the major hinge in Epac2 by normal mode motion correlation and structural alignment analyses. Target...

  6. Structural analyses of a rigid pavement overlaying a sub-surface void

    Science.gov (United States)

    Adam, Fatih Alperen

    Pavement failures are very hazardous for public safety and serviceability. These failures in pavements are mainly caused by subsurface voids, cracks, and undulation at the slab-base interface. On the other hand, current structural analysis procedures for rigid pavement assume that the slab-base interface is perfectly planar and no imperfections exist in the sub-surface soil. This assumption would be violated if severe erosion were to occur due to inadequate drainage, thermal movements, and/or mechanical loading. Until now, the effect of erosion was only considered in the faulting performance model, but not with regards to transverse cracking at the mid-slab edge. In this research, the bottom up fatigue cracking potential, caused by the combined effects of wheel loading and a localized imperfection in the form of a void below the mid-slab edge, is studied. A robust stress and surface deflection analysis was also conducted to evaluate the influence of a sub-surface void on layer moduli back-calculation. Rehabilitative measures were considered, which included a study on overlay and fill remediation. A series regression of equations was proposed that provides a relationship between void size, layer moduli stiffness, and the overlay thickness required to reduce the stress to its original pre-void level. The effect of the void on 3D pavement crack propagation was also studied under a single axle load. The amplifications to the stress intensity was shown to be high but could be mitigated substantially if stiff material is used to fill the void and impede crack growth. The pavement system was modeled using the commercial finite element modeling program Abaqus RTM. More than 10,000 runs were executed to do the following analysis: stress analysis of subsurface voids, E-moduli back-calculation of base layer, pavement damage calculations of Beaumont, TX, overlay thickness estimations, and mode I crack analysis. The results indicate that the stress and stress intensity are, on

  7. Impact of branched structures on cycloalkane ignition in a motored engine: Detailed product and conformational analyses

    KAUST Repository

    Kang, Dongil

    2015-04-01

    The ignition process of ethylcyclohexane (ECH) and its two isomers, 1,3-dimethylcyclohexane (13DMCH) and 1,2-dimethylcyclohexane (12DMCH) was investigated in a modified CFR engine. The experiment was conducted with intake air temperature of 155. °C, equivalence ratio of 0.5 and engine speed of 600. rpm. The engine compression ratio (CR) was gradually increased in a stepwise manner until autoignition occurred. It was found that ECH exhibited a significantly higher oxidation reactivity compared to its two isomers. The autoignition criterion was based on CO emissions and the apparent heat release rates. Ethylcyclohexane (ECH) indicated noticeable two stage ignition behavior, while less significant heat release occurred for the two isomers at comparable conditions. The mole fractions of unreacted fuel and stable intermediate species over a wide range of compression ratios were analyzed by GC-MS and GC-FID. Most of the species indicated constant rates of formation and the trends of relative yield to unreacted fuel are well in agreement with the oxidation reactivity in the low temperature regime. The major intermediate species are revealed as a group of conjugate olefins, which possess the same molecular structure as the original fuel compound except for the presence of a double carbon bond. Conjugate olefins were mostly formed through (1,4) H-shift isomerization during the low temperature oxidation of alkylcyclohexanes. Conformation analysis explains the reactivity differences in the three isomers as well as the fractions of intermediate species. The hydrogen availability located in alkyl substituents plays an important role in determining oxidation reactivity, requiring less activation energy for abstraction through the (1,5) H-shift isomerization. This reactivity difference contributes to building up the major intermediate species observed during oxidation of each test fuel. 12DMCH, whose ignition reactivity is the lowest, less favors β-scission of C-C backbone of

  8. Comments on the use of network structures to analyse commercial companies’ evolution and their impact on economic behaviour

    Science.gov (United States)

    Costea, Carmen

    2006-10-01

    Network analysis studies the development of the social structure of relationships around a group or an institutional body, and how it affects beliefs and behaviours. Causal constraints require a special and deeper attention to the social structure. The purpose of this paper is to give a new approach to the idea that this reality should be primarily conceived and investigated from the perspective of the properties of relations between and within units, instead of the properties of these units themselves. The relationship may refer to the exchange of products, labour, information and money. By mapping these relationships, network analysis can help to uncover the emergent and informal communication patterns of commercial companies that may be compared to the formal communication structures. These emergent patterns can be used to explain institutional and individuals’ behaviours. Network analysis techniques focus on the communication structure of an organization that can be subdivided and handled with different approaches. Structural features that can be analysed through the use of network analysis techniques are, for example, the (formal and informal) communication patterns in an organization or the identification of specific groups within an organization. Special attention may be given to specific aspects of communication patterns.

  9. Laterality interacts with sex across the schizophrenia/bipolarity continuum: an interpretation of meta-analyses of structural MRI.

    Science.gov (United States)

    Crow, Timothy J; Chance, Steven A; Priddle, Thomas H; Radua, Joaquim; James, Anthony C

    2013-12-30

    Review of the first comprehensive meta-analysis of VBM (voxel-based morphometry) studies in schizophrenia indicates asymmetrical reductions of anterior cingulate gyrus to the right, and medial temporal lobe (including the uncus) and para-hippocampal gyrus to the left. In subsequent meta-analyses of schizophrenia and bipolar disorder change in these limbic structures is systematically related to change in the insula. Deficits in insula (and para-hippocampal gyrus) to the left, and dorsal anterior cingulate gyrus to the right are greater in schizophrenic psychoses whereas deficits in anterior cingulate to the left and insula to the right are greater in bipolar illness. Thus (1) brain structures implicated in schizophrenia include those implicated in bipolar disorder, (2) the variation that separates the prototypical psychoses may be a subset of that relating to the structural asymmetry (the "torque") characteristic of the human brain, and (3) the meta-analysis of Bora et al. (2012) indicates that laterality of involvement of the insula and cingulate gyrus across the spectrum of bipolar and schizophrenic psychoses is critically dependent upon the sex ratio. Thus structural change underlying the continuum of psychosis relates to the interaction of laterality and sex.

  10. Molecular docking and 3D-quantitative structure activity relationship analyses of peptidyl vinyl sulfones: Plasmodium Falciparum cysteine proteases inhibitors

    Science.gov (United States)

    Teixeira, Cátia; Gomes, José R. B.; Couesnon, Thierry; Gomes, Paula

    2011-08-01

    Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) based on three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were conducted on a series (39 molecules) of peptidyl vinyl sulfone derivatives as potential Plasmodium Falciparum cysteine proteases inhibitors. Two different methods of alignment were employed: (i) a receptor-docked alignment derived from the structure-based docking algorithm GOLD and (ii) a ligand-based alignment using the structure of one of the ligands derived from a crystal structure from the PDB databank. The best predictions were obtained for the receptor-docked alignment with a CoMFA standard model ( q 2 = 0.696 and r 2 = 0.980) and with CoMSIA combined electrostatic, and hydrophobic fields ( q 2 = 0.711 and r 2 = 0.992). Both models were validated by a test set of nine compounds and gave satisfactory predictive r 2 pred values of 0.76 and 0.74, respectively. CoMFA and CoMSIA contour maps were used to identify critical regions where any change in the steric, electrostatic, and hydrophobic fields may affect the inhibitory activity, and to highlight the key structural features required for biological activity. Moreover, the results obtained from 3D-QSAR analyses were superimposed on the Plasmodium Falciparum cysteine proteases active site and the main interactions were studied. The present work provides extremely useful guidelines for future structural modifications of this class of compounds towards the development of superior antimalarials.

  11. Novel evolutionary lineages revealed in the Chaetothyriales (fungi based on multigene phylogenetic analyses and comparison of its secondary structure.

    Directory of Open Access Journals (Sweden)

    Martina Réblová

    Full Text Available Cyphellophora and Phialophora (Chaetothyriales, Pezizomycota comprise species known from skin infections of humans and animals and from a variety of environmental sources. These fungi were studied based on the comparison of cultural and morphological features and phylogenetic analyses of five nuclear loci, i.e., internal transcribed spacer rDNA operon (ITS, large and small subunit nuclear ribosomal DNA (nuc28S rDNA, nuc18S rDNA, β-tubulin, DNA replication licensing factor (mcm7 and second largest subunit of RNA polymerase II (rpb2. Phylogenetic results were supported by comparative analysis of ITS1 and ITS2 secondary structure of representatives of the Chaetothyriales and the identification of substitutions among the taxa analyzed. Base pairs with non-conserved, co-evolving nucleotides that maintain base pairing in the RNA transcript and unique evolutionary motifs in the ITS2 that characterize whole clades or individual taxa were mapped on predicted secondary structure models. Morphological characteristics, structural data and phylogenetic analyses of three datasets, i.e., ITS, ITS-β-tubulin and 28S-18S-rpb2-mcm7, define a robust clade containing eight species of Cyphellophora (including the type and six species of Phialophora. These taxa are now accommodated in the Cyphellophoraceae, a novel evolutionary lineage within the Chaetothyriales. Cyphellophora is emended and expanded to encompass species with both septate and nonseptate conidia formed on discrete, intercalary, terminal or lateral phialides. Six new combinations in Cyphellophora are proposed and a dichotomous key to species accepted in the genus is provided. Cyphellophora eugeniae and C. hylomeconis, which grouped in the Chaetothyriaceae, represent another novel lineage and are introduced as the type species of separate genera.

  12. Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses

    Science.gov (United States)

    Degrève, Léo; Fuzo, Carlos A.; Caliri, Antonio

    2012-12-01

    The Dengue has become a global public health threat, with over 100 million infections annually; to date there is no specific vaccine or any antiviral drug. The structures of the envelope (E) proteins of the four known serotype of the dengue virus (DENV) are already known, but there are insufficient molecular details of their structural behavior in solution in the distinct environmental conditions in which the DENVs are submitted, from the digestive tract of the mosquito up to its replication inside the host cell. Such detailed knowledge becomes important because of the multifunctional character of the E protein: it mediates the early events in cell entry, via receptor endocytosis and, as a class II protein, participates determinately in the process of membrane fusion. The proposed infection mechanism asserts that once in the endosome, at low pH, the E homodimers dissociate and insert into the endosomal lipid membrane, after an extensive conformational change, mainly on the relative arrangement of its three domains. In this work we employ all-atom explicit solvent Molecular Dynamics simulations to specify the thermodynamic conditions in that the E proteins are induced to experience extensive structural changes, such as during the process of reducing pH. We study the structural behavior of the E protein monomer at acid pH solution of distinct ionic strength. Extensive simulations are carried out with all the histidine residues in its full protonated form at four distinct ionic strengths. The results are analyzed in detail from structural and energetic perspectives, and the virtual protein movements are described by means of the principal component analyses. As the main result, we found that at acid pH and physiological ionic strength, the E protein suffers a major structural change; for lower or higher ionic strengths, the crystal structure is essentially maintained along of all extensive simulations. On the other hand, at basic pH, when all histidine residues are in

  13. Genome-Wide Analyses of Individual Strongyloides stercoralis (Nematoda: Rhabditoidea) Provide Insights into Population Structure and Reproductive Life Cycles

    Science.gov (United States)

    Aung, Myo Pa Pa Thet Hnin Htwe; Afrin, Tanzila; Nagayasu, Eiji; Tanaka, Ryusei; Higashiarakawa, Miwa; Win, Kyu Kyu; Hirata, Tetsuo; Htike, Wah Win; Fujita, Jiro; Maruyama, Haruhiko

    2016-01-01

    The helminth Strongyloides stercoralis, which is transmitted through soil, infects 30–100 million people worldwide. S. stercoralis reproduces sexually outside the host as well as asexually within the host, which causes a life-long infection. To understand the population structure and transmission patterns of this parasite, we re-sequenced the genomes of 33 individual S. stercoralis nematodes collected in Myanmar (prevalent region) and Japan (non-prevalent region). We utilised a method combining whole genome amplification and next-generation sequencing techniques to detect 298,202 variant positions (0.6% of the genome) compared with the reference genome. Phylogenetic analyses of SNP data revealed an unambiguous geographical separation and sub-populations that correlated with the host geographical origin, particularly for the Myanmar samples. The relatively higher heterozygosity in the genomes of the Japanese samples can possibly be explained by the independent evolution of two haplotypes of diploid genomes through asexual reproduction during the auto-infection cycle, suggesting that analysing heterozygosity is useful and necessary to infer infection history and geographical prevalence. PMID:28033376

  14. Sensitivity to model geometry in finite element analyses of reconstructed skeletal structures: experience with a juvenile pelvis.

    Science.gov (United States)

    Watson, Peter J; Fagan, Michael J; Dobson, Catherine A

    2015-01-01

    Biomechanical analysis of juvenile pelvic growth can be used in the evaluation of medical devices and investigation of hip joint disorders. This requires access to scan data of healthy juveniles, which are not always freely available. This article analyses the application of a geometric morphometric technique, which facilitates the reconstruction of the articulated juvenile pelvis from cadaveric remains, in biomechanical modelling. The sensitivity of variation in reconstructed morphologies upon predicted stress/strain distributions is of particular interest. A series of finite element analyses of a 9-year-old hemi-pelvis were performed to examine differences in predicted strain distributions between a reconstructed model and the originally fully articulated specimen. Only minor differences in the minimum principal strain distributions were observed between two varying hemi-pelvic morphologies and that of the original articulation. A Wilcoxon rank-sum test determined there was no statistical significance between the nodal strains recorded at 60 locations throughout the hemi-pelvic structures. This example suggests that finite element models created by this geometric morphometric reconstruction technique can be used with confidence, and as observed with this hemi-pelvis model, even a visual morphological difference does not significantly affect the predicted results. The validated use of this geometric morphometric reconstruction technique in biomechanical modelling reduces the dependency on clinical scan data.

  15. Genetic diversity and population structure of black Dahe pig based on DNA sequences analyses of mitochondrial and nuclear genes.

    Science.gov (United States)

    Tang, Lizhou; Yu, Long; Wang, Junjie; Liu, Chao; Shi, Xiaodong; Ding, Wei; Zhu, Lei; Guo, Songchang

    2016-01-01

    To investigate the genetic diversity and population structure of black Dahe pigs, we collected 175 samples from 5 local populations and sequenced them using a combination of two selected molecular markers for mitochondrial cytochrome b and Major Histocompatibility Complex (MHC) DRB. Overall, the results of AMOVA and phylogenetic tree and gene flow analyses detected high levels of gene flow among the five populations, particularly individual pigs from Dahe town (Pop1) or Yingshang town (Pop2) to other populations (Pop3, Pop4, and Pop5). The genetic diversity analyses showed that the diversity indices of the five populations did not vary significantly, but they were much lower than those of other Chinese pig species. These results suggest that distinct gene flow, unstable population pattern, and lower genetic diversity have been influenced mainly by human introductions for economic ends. These findings provide genetic information that could be used for the preservation and further genetic improvement of the black Dahe pig, as well as an important reference for the evaluation, conservation, and utilization of the genetic resources of this breed.

  16. Crowd-structure interaction in footbridges: Modelling, application to a real case-study and sensitivity analyses

    Science.gov (United States)

    Bruno, Luca; Venuti, Fiammetta

    2009-06-01

    A mathematical and computational model used to simulate crowd-structure interaction in lively footbridges is presented in this work. The model is based on the mathematical and numerical decomposition of the coupled multiphysical nonlinear system into two interacting subsystems. The model was conceived to simulate the synchronous lateral excitation phenomenon caused by pedestrians walking on footbridges. The model was first applied to simulate a crowd event on an actual footbridge, the T-bridge in Japan. Three sensitivity analyses were then performed on the same benchmark to evaluate the properties of the model. The simulation results show good agreement with the experimental data found in literature and the model could be considered a useful tool for designers and engineers in the different phases of footbridge design.

  17. Specific catalysis of asparaginyl deamidation by carboxylic acids: kinetic, thermodynamic, and quantitative structure-property relationship analyses.

    Science.gov (United States)

    Connolly, Brian D; Tran, Benjamin; Moore, Jamie M R; Sharma, Vikas K; Kosky, Andrew

    2014-04-07

    Asparaginyl (Asn) deamidation could lead to altered potency, safety, and/or pharmacokinetics of therapeutic protein drugs. In this study, we investigated the effects of several different carboxylic acids on Asn deamidation rates using an IgG1 monoclonal antibody (mAb1*) and a model hexapeptide (peptide1) with the sequence YGKNGG. Thermodynamic analyses of the kinetics data revealed that higher deamidation rates are associated with predominantly more negative ΔS and, to a lesser extent, more positive ΔH. The observed differences in deamidation rates were attributed to the unique ability of each type of carboxylic acid to stabilize the energetically unfavorable transition-state conformations required for imide formation. Quantitative structure property relationship (QSPR) analysis using kinetic data demonstrated that molecular descriptors encoding for the geometric spatial distribution of atomic properties on various carboxylic acids are effective determinants for the deamidation reaction. Specifically, the number of O-O and O-H atom pairs on carboxyl and hydroxyl groups with interatomic distances of 4-5 Å on a carboxylic acid buffer appears to determine the rate of deamidation. Collectively, the results from structural and thermodynamic analyses indicate that carboxylic acids presumably form multiple hydrogen bonds and charge-charge interactions with the relevant deamidation site and provide alignment between the reactive atoms on the side chain and backbone. We propose that carboxylic acids catalyze deamidation by stabilizing a specific, energetically unfavorable transition-state conformation of l-asparaginyl intermediate II that readily facilitates bond formation between the γ-carbonyl carbon and the deprotonated backbone nitrogen for cyclic imide formation.

  18. Structure elucidation and toxicity analyses of the radiolytic products of aflatoxin B{sub 1} in methanol-water solution

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Feng [Institute of Agro-food Science and Technology of Chinese Academy of Agricultural Sciences, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Key Opening Laboratory of Agricultural Products Processing and Quality Control, Ministry of Agriculture, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Graduate School of Chinese Academy of Agricultural Sciences, 12th Zhongguancun South Road, Hai Dian District, Beijing 100081 (China); Xie, Fang [Institute of Agro-food Science and Technology of Chinese Academy of Agricultural Sciences, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Key Opening Laboratory of Agricultural Products Processing and Quality Control, Ministry of Agriculture, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Xue, Xiaofeng [Bee Research Institute of Chinese Academy of Agricultural Sciences, 1st Xiangshan North Ditch, Hai Dian District, Beijing 100093 (China); Wang, Zhidong; Fan, Bei [Institute of Agro-food Science and Technology of Chinese Academy of Agricultural Sciences, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Key Opening Laboratory of Agricultural Products Processing and Quality Control, Ministry of Agriculture, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Ha, Yiming, E-mail: wxfay2011@hotmail.com [Institute of Agro-food Science and Technology of Chinese Academy of Agricultural Sciences, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China); Key Opening Laboratory of Agricultural Products Processing and Quality Control, Ministry of Agriculture, 2nd Yuanmingyuan West Road, Hai Dian District, Beijing 100193 (China)

    2011-09-15

    Highlights: {yields} Radiolytic products of aflatoxin B{sub 1} were produced under gamma irradiation. {yields} Seven key radiolytic products were structure-elucidated. {yields} Free-radical species in radiolytic solution resulted in the formation of products. {yields} Based on the structure-activity relationship analysis, the toxicity of radiolytic products was significantly reduced compared with that of AFB{sub 1}. {yields} The addition reaction on furan ring double bond was the reason for the reduced toxicity. - Abstract: The identification of the radiolytic products of mycotoxins is a key issue in the feasibility study of gamma ray radiation detoxification. Methanol-water solution (60:40, v/v) spiked with aflatoxin B{sub 1} (AFB{sub 1}; 20 mg L{sup -1}) was irradiated with Co{sup 60} gamma ray to generate radiolytic products. Liquid chromatography-quadruple time-of-flight mass spectrometry was applied to identify the radiolytic products of AFB{sub 1}. Accurate mass and proposed molecular formulas with a high-matching property of more than 20 radiolytic products were obtained. Seven key radiolytic products were proposed based on the molecular formulas and tandem mass spectrometry spectra. The analyses of toxicity and formation pathways were proposed based on the structure of the radiolytic products. The addition reaction caused by the free-radical species in the methanol-water solution resulted in the formation of most radiolytic products. Based on the structure-activity relationship analysis, the toxicity of radiolytic products was significantly reduced compared with that of AFB{sub 1} because of the addition reaction that occurred on the double bond in the terminal furan ring. For this reason, gamma irradiation is deemed an effective tool for the detoxification of AFB{sub 1}.

  19. Analyse économique de la structure des coûts de production apicole au Cameroun

    Directory of Open Access Journals (Sweden)

    Muluh, GA.

    2008-01-01

    Full Text Available Economic Analysis of the Bee Farming Costs Structure in Cameroon. Beekeeping is spreading in Cameroon, and contributes to the sustainable management of the non timber forest products. This study presents the structure of the bee farms production factors in the North-West of the aforesaid country. The assumption is that there would be a significant difference in the production costs components between the types of bee-farms in the North-West of Cameroon. The data collected in 2005 related to the operation of the exploitations, the cost factors and income. The analyses were made using Excel and SPSS software, and the principal results are the following. Bee farming returns to scale are decreasing in the North-West of Cameroon. The bee farms of this zone invest more in the capital factor. Their follow-up is very insufficient, whereas all can maximize profit. Although there is a significant difference of the total fixed costs of production between the traditional bee exploitations and the semi modern ones, there is no difference in variable costs, nor in total cost of production between them. The setting-up of an apiculture policy which insists on extension services close to the bee-farmers is essential for the rise of this sub sector.

  20. Structural Stability and Vibrational Analyses of Haloselenonyl Azides, XSeO2-NNN, where X is F, Cl, Br

    Directory of Open Access Journals (Sweden)

    Wolfgang Förِner

    2005-10-01

    Full Text Available The structural stability of haloselenonyl azides was investigated by quantum mechanical Møller-Plesset perturbation theory of second order and density functional theory calculations. The 6-311+G** basis set was used to include polarization and diffuse functions in the calculations at the DFT-B3LYP level. The potential scans for the rotation of the -NNN rotor were calculated and found to be consistent with a single minimum that corresponds to a gauche conformation (-NNN moiety nearly eclipses one of the two selenonyl Se=O bonds for the three halogens at ambient temperature. The structural parameters for the minima calculated by MP2 and DFT turned out to be very similar. The vibrational modes, infrared and Raman intensities as well as depolarization ratios were calculated at DFT-B3LYP/6-311+G** level for the three molecules in their gauche conformations. The potential energy distributions among symmetry coordinates of the normal modes of the molecules in their gauche conformation were then computed from normal coordinate analyses.

  1. Soil microbial community structure in diverse land use systems:A comparative study using Biolog,DGGE,and PLFA analyses

    Institute of Scientific and Technical Information of China (English)

    XUE Dong; YAO Huai-Ying; GE De-Yong; HUANG Chang-Yong

    2008-01-01

    Biolog,16S rRNA gene denaturing gradient gel electrophoresis (DGGE),and phospholipid fatty acid (PLFA) analyses were used to assess soil microbial community characteristics in a chronosequence of tea garden systems (8-,50-,and 90year-old tea gardens),an adjacent wasteland,and a 90-year-old forest.Biolog analysis showed that the average well color development (AWCD) of all carbon sources and the functional diversity based on the Shannon index decreased (P<0.05)in the following order:wasteland>forest>tea garden.For the DGGE analysis,the genetic diversity based on the Shannon index was significantly lower in the tea garden soils than in the wasteland.However,compared to the 90-year-old forest,the tea garden soils showed significantly higher genetic diversity.PLFA analysis showed that the ratio of Gram positive bacteria to Gram negative bacteria was significantly higher in the tea garden soils than in the wasteland,and the highest value was found in the 90-year-old forest.Both the fungal PLFA and the ratio of fungi to bacteria were significantly higher in the three tea garden soils than in the wasteland and forest,indicating that fungal PLFA was significantly affected by land-use change.Based on cluster analysis of the soil microbial community structure,all three analytical methods showed that land-use change had a greater effect on soil microbial community structure than tea garden age.

  2. Structural and gene expression analyses of uptake hydrogenases and other proteins involved in nitrogenase protection in Frankia

    Indian Academy of Sciences (India)

    K H Richau; R L Kudahettige; P Pujic; N P Kudahettige; A Sellstedt

    2013-11-01

    The actinorhizal bacterium Frankia expresses nitrogenase and can therefore convert molecular nitrogen into ammonia and the by-product hydrogen. However, nitrogenase is inhibited by oxygen. Consequently, Frankia and its actinorhizal hosts have developed various mechanisms for excluding oxygen from their nitrogen-containing compartments. These include the expression of oxygen-scavenging uptake hydrogenases, the formation of hopanoid-rich vesicles, enclosed by multi-layered hopanoid structures, the lignification of hyphal cell walls, and the production of haemoglobins in the symbiotic nodule. In this work, we analysed the expression and structure of the so-called uptake hydrogenase (Hup), which catalyses the in vivo dissociation of hydrogen to recycle the energy locked up in this ‘waste’ product. Two uptake hydrogenase syntons have been identified in Frankia: synton 1 is expressed under free-living conditions while synton 2 is expressed during symbiosis. We used qPCR to determine synton 1 hup gene expression in two Frankia strains under aerobic and anaerobic conditions. We also predicted the 3D structures of the Hup protein subunits based on multiple sequence alignments and remote homology modelling. Finally, we performed BLAST searches of genome and protein databases to identify genes that may contribute to the protection of nitrogenase against oxygen in the two Frankia strains. Our results show that in Frankia strain ACN14a, the expression patterns of the large (HupL1) and small (HupS1) uptake hydrogenase subunits depend on the abundance of oxygen in the external environment. Structural models of the membrane-bound hydrogenase subunits of ACN14a showed that both subunits resemble the structures of known [NiFe] hydrogenases (Volbeda et al. 1995), but contain fewer cysteine residues than the uptake hydrogenase of the Frankia DC12 and Eu1c strains. Moreover, we show that all of the investigated Frankia strains have two squalene hopane cyclase genes (shc1 and shc2

  3. Virulence Structure of Blumeria graminis f. sp. tritici and Its Genetic Diversity by ISSR and SRAP Profiling Analyses.

    Directory of Open Access Journals (Sweden)

    Na Liu

    Full Text Available Blumeria graminis f. sp. tritici, which causes wheat powdery mildew, is an obligate biotrophic pathogen that can easily genetically adapt to its host plant. Understanding the virulence structure of and genetic variations in this pathogen is essential for disease control and for breeding resistance to wheat powdery mildew. This study investigated 17 pathogenic populations in Sichuan, China and classified 109 isolates into two distinct groups based on pathogenicity analysis: high virulence (HV, 92 isolates and low virulence (LV, 17 isolates. Populations from Yibin (Southern region, Xichang (Western region, and Meishan (Middle region showed lower virulence frequencies than populations from other regions. Many of the previously known resistance genes did not confer resistance in this study. The resistance gene Pm21 displayed an immune response to pathogenic challenge with all populations in Sichuan, and Pm13, Pm5b, Pm2+6, and PmXBD maintained resistance. AMOVA revealed significantly higher levels of variation within populations and lower levels of variation among populations within regions. High levels of gene flow were detected among populations in the four regions. Closely related populations within each region were distinguished by cluster analyses using ISSR and SRAP alleles. Both ISSR and SRAP allele profiling analyses revealed high levels of genetic diversity among pathogenic populations in Sichuan. Although ISSR and SRAP profiling analysis showed similar resolutions, the SRAP alleles appeared to be more informative. We did not detect any significant association between these alleles and the virulence or pathogenicity of the pathogen. Our results suggest that ISSR and SRAP alleles are more efficient for the characterization of small or closely related populations versus distantly related populations.

  4. Seismic analysis of the Mirror Fusion Test Facility: soil structure interaction analyses of the Axicell vacuum vessel. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Maslenikov, O.R.; Mraz, M.J.; Johnson, J.J.

    1986-03-01

    This report documents the seismic analyses performed by SMA for the MFTF-B Axicell vacuum vessel. In the course of this study we performed response spectrum analyses, CLASSI fixed-base analyses, and SSI analyses that included interaction effects between the vessel and vault. The response spectrum analysis served to benchmark certain modeling differences between the LLNL and SMA versions of the vessel model. The fixed-base analysis benchmarked the differences between analysis techniques. The SSI analyses provided our best estimate of vessel response to the postulated seismic excitation for the MFTF-B facility, and included consideration of uncertainties in soil properties by calculating response for a range of soil shear moduli. Our results are presented in this report as tables of comparisons of specific member forces from our analyses and the analyses performed by LLNL. Also presented are tables of maximum accelerations and relative displacements and plots of response spectra at various selected locations.

  5. Mechanism of Epac activation: structural and functional analyses of Epac2 hinge mutants with constitutive and reduced activities.

    Science.gov (United States)

    Tsalkova, Tamara; Blumenthal, Donald K; Mei, Fang C; White, Mark A; Cheng, Xiaodong

    2009-08-28

    Epac2 is a member of the family of exchange proteins directly activated by cAMP (Epac). Our previous studies suggest a model of Epac activation in which cAMP binding to the enzyme induces a localized "hinge" motion that reorients the regulatory lobe relative to the catalytic lobe without inducing large conformational changes within individual lobes. In this study, we identified the location of the major hinge in Epac2 by normal mode motion correlation and structural alignment analyses. Targeted mutagenesis was then performed to test the functional importance of hinge bending for Epac activation. We show that substitution of the conserved residue phenylalanine 435 with glycine (F435G) facilitates the hinge bending and leads to a constitutively active Epac2 capable of stimulating nucleotide exchange in the absence of cAMP. In contrast, substitution of the same residue with a bulkier side chain, tryptophan (F435W), impedes the hinge motion and results in a dramatic decrease in Epac2 catalytic activity. Structural parameters determined by small angle x-ray scattering further reveal that whereas the F435G mutant assumes a more extended conformation in the absence of cAMP, the F435W mutant is incapable of adopting the fully extended and active conformation in the presence of cAMP. These findings demonstrate the importance of hinge motion in Epac activation. Our study also suggests that phenylalanine at position 435 is the optimal size side chain to keep Epac closed and inactive in the absence of cAMP while still allowing the proper hinge motion for full Epac extension and activation in the presence of cAMP.

  6. Synthesis, X-ray crystal structures and thermal analyses of some new antimicrobial zinc complexes: New configurations and nano-size structures.

    Science.gov (United States)

    Masoudiasl, A; Montazerozohori, M; Naghiha, R; Assoud, A; McArdle, P; Safi Shalamzari, M

    2016-04-01

    Some new five coordinated ZnLX2 complexes, where L is N3-Schiff base ligand obtained by condensation reaction between diethylenetriamine and (E)-3-(2-nitrophenyl)acrylaldehyde and X (Cl(-), Br(-), I(-), N3(-) and NCS(-)), were synthesized and characterized by FT-IR, (1)H and (13)CNMR, UV-visible, ESI-mass spectra and molar conductivity measurements. The structures of zinc iodide and thiocyanate complexes were determined by X-ray crystallographic analysis. The X-ray results showed that the Zn (II) center in these complexes is five-coordinated in a distorted trigonal-bipyramidal configuration. Zinc iodide and thiocyanate complexes crystallize in the monoclinic and triclinic systems with space groups of C2/c and P1- with eight and two molecules per unit cell respectively. The crystal packing of the complexes consists of intermolecular interactions such as C-H(…)O and C-H(…)I, C-H(···)S, N(…)O, together with π-π stacking and some other unexpected interactions. The mentioned interactions cause three-dimensional supramolecular structure in the solid state. Zinc complexes were also prepared in nano-structure by sonochemical method confirmed by XRD, SEM and TEM analyses. Moreover, ZnO nanoparticles were synthesized by direct thermolysis of zinc iodide complex. Furthermore, antimicrobial and thermal properties of the compounds were completely investigated.

  7. Structure investigation of sertraline drug and its iodine product using mass spectrometry, thermal analyses and MO-calculations

    Science.gov (United States)

    Zayed, M. A.; Hawash, M. F.; Fahmey, M. A.; El-Habeeb, Abeer A.

    2007-11-01

    Sertraline (C 17H 17Cl 2N) as an antidepressant drug was investigated using thermal analysis (TA) measurements (TG/DTG and DTA) in comparison with electron impact (EI) mass spectral (MS) fragmentation at 70 eV. Semi-empirical MO-calculations, using PM3 procedure, has been carried out on neutral molecule and positively charged species. These calculations included bond length, bond order, bond strain, partial charge distribution and heats of formation (Δ Hf). Also, in the present work sertraline-iodine product was prepared and its structure was investigated using elemental analyses, IR, 1H NMR, 13C NMR, MS and TA. It was also subjected to molecular orbital calculations (MOC) in order to confirm its fragmentation behavior by both MS and TA in comparison with the sertraline parent drug. In MS of sertraline the initial rupture occurred was CH 3NH 2+ fragment ion via H-rearrangement while in sertraline-iodine product the initial rupture was due to the loss of I + and/or HI + fragment ions followed by CH 2dbnd NH + fragment ion loss. In thermal analyses (TA) the initial rupture in sertraline is due to the loss of C 6H 3Cl 2 followed by the loss of CH 3-NH forming tetraline molecule which thermally decomposed to give C 4H 8, C 6H 6 or the loss of H 2 forming naphthalene molecule which thermally sublimated. In sertraline-iodine product as a daughter the initial thermal rupture is due to successive loss of HI and CH 3NH followed by the loss of C 6H 5HI and HCl. Sertraline biological activity increases with the introduction of iodine into its skeleton. The activities of the drug and its daughter are mainly depend upon their fragmentation to give their metabolites in vivo systems, which are very similar to the identified fragments in both MS and TA. The importance of the present work is also due to the decision of the possible mechanism of fragmentation of the drug and its daughter and its confirmation by MOC.

  8. Structures des fractions lourdes. Méthodes d'analyse et préparation des charges Structures of Heavy Fractions. Feedstock Analysis and Preparation Methods

    Directory of Open Access Journals (Sweden)

    Vercier P.

    2006-11-01

    Full Text Available Après avoir défini les termes fractions lourdes et pétroles bruts lourds, et avoir souligné l'intérêt économique qu'il y a à utiliser ces matériaux, on passera en revue les techniques analytiques disponibles pour aborder les difficiles problèmes technologiques que soulève l'emploi des équipements et des méthodes conventionnels. On montrera que les analystes auront besoin de techniques améliorées ou même entièrement nouvelles pour séparer ces produits en des fractions plus simples, susceptibles d'être alors analysées par les méthodes plus traditionnelles : distillation à haute température (jusqu'à 650 °C ; séparation en asphaltènes, résines et huile ; séparation en acides, bases, neutres, saturés, mono-, di-, poly-aromatiques ; analyses structurales (analyses élémentaires, détermination des masses moléculaires, spectrométrie de masse, RMN, pyrolyse et détection à l'aide de détecteurs spécifiques pour le soufre et l'azote. Comme le facteur temps est important dans les études pilote, il sera montré que la mise au point des méthodes rapides et modernes de chromatographie liquide sera l'objectif prioritaire de la recherche analytique dans le futur proche. After defining the terms heavy fractionsand heavy crudesand then stressing the economic interest there is in using such materials, a survey is made of the analytical techniques available for tackling the difficult technological problems arising from the use of conventional equipment and methods. It is shown that analysts will need improved or even completely new techniques for separating such products into simpler fractions so that they can be analyzed by more traditional methods, i. e. high-temperature distillation (up to 650°C; separation into asphaltenes, resins and oils; structural analyses (elemental analyses, determining molecular weights, mass spectrometry, NMR, pyrolysis and detection with specific sulfur and nitrogen detectors. Since the time

  9. New five coordinated supramolecular structured cadmium complex as precursor for CdO nanoparticles: Synthesis, crystal structure, theoretical and 3D Hirshfeld surface analyses

    Science.gov (United States)

    Ghanbari Niyaky, S.; Montazerozohori, M.; Masoudiasl, A.; White, J. M.

    2017-03-01

    In this paper, a combined experimental and theoretical study on a new CdLBr2 complex (L = N1-(2-bromobenzylidene)-N2-(2-((E)-(2-bromobenzylidene) amino)ethyl) ethane-1,2-diamine) synthesized via template method, is described. The crystal structure analysis of the complex indicates that, the Cd(II) ion is centered in a distorted square pyramidal space constructed by three iminic nitrogens of the ligand as well as two bromide anions. More analysis of crystal packing proposed a supramolecular structure stabilized by some non-covalent interactions such as Br⋯Br and Xsbnd H⋯Br (X = N and C) in solid state. Furthermore, 3D Hirshfeld surface analyses and DFT studies were applied for theoretical investigation of the complexes. Theoretical achievements were found in a good agreement with respect to the experimental data. To evaluate the nature of bonding and the strength of the intra and inter-molecular interactions a natural bond orbital (NBO) analysis on the complex structure was performed. Time dependent density functional theory (TD-DFT) was also applied to predict the electronic spectral data of the complex as compared with the experimental ones. CdLBr2 complex as nano-structure compound was also prepared under ultrasonic conditions and characterized by scanning electron microscopy (SEM) and X-ray powder diffraction (XRPD). Finally, it was found that the cadmium complex can be used as a suitable precursor for preparation of CdO nanoparticles via calcination process at 600 °C under air atmosphere.

  10. Coupled optical-thermal-fluid and structural analyses of novel light-trapping tubular panels for concentrating solar power receivers

    Science.gov (United States)

    Ortega, Jesus D.; Christian, Joshua M.; Yellowhair, Julius E.; Ho, Clifford K.

    2015-09-01

    Traditional tubular receivers used in concentrating solar power are formed using tubes connected to manifolds to form panels; which in turn are arranged in cylindrical or rectangular shapes. Previous and current tubular receivers, such as the ones used in Solar One, Solar Two, and most recently the Ivanpah solar plants, have used a black paint coating to increase the solar absorptance of the receiver. However, these coatings degrade over time and must be reapplied, increasing the receiver maintenance cost. This paper presents the thermal efficiency evaluation of novel receiver tubular panels that have a higher effective solar absorptance due to a light-trapping effect created by arranging the tubes in each panel into unique geometric configurations. Similarly, the impact of the incidence angle on the effective solar absorptance and thermal efficiency is evaluated. The overarching goal of this work is to achieve effective solar absorptances of ~90% and thermal efficiencies above 85% without using an absorptance coating. Several panel geometries were initially proposed and were down-selected based on structural analyses considering the thermal and pressure loading requirements of molten salt and supercritical carbon-dioxide receivers. The effective solar absorptance of the chosen tube geometries and panel configurations were evaluated using the ray-tracing modeling capabilities of SolTrace. The thermal efficiency was then evaluated by coupling computational fluid dynamics with the ray-tracing results using ANSYS Fluent. Compared to the base case analysis (flat tubular panel), the novel tubular panels have shown an increase in effective solar absorptance and thermal efficiency by several percentage points.

  11. Comparative Chloroplast Genome Analyses of Streptophyte Green Algae Uncover Major Structural Alterations in the Klebsormidiophyceae, Coleochaetophyceae and Zygnematophyceae.

    Science.gov (United States)

    Lemieux, Claude; Otis, Christian; Turmel, Monique

    2016-01-01

    The Streptophyta comprises all land plants and six main lineages of freshwater green algae: Mesostigmatophyceae, Chlorokybophyceae, Klebsormidiophyceae, Charophyceae, Coleochaetophyceae and Zygnematophyceae. Previous comparisons of the chloroplast genome from nine streptophyte algae (including four zygnematophyceans) revealed that, although land plant chloroplast DNAs (cpDNAs) inherited most of their highly conserved structural features from green algal ancestors, considerable cpDNA changes took place during the evolution of the Zygnematophyceae, the sister group of land plants. To gain deeper insights into the evolutionary dynamics of the chloroplast genome in streptophyte algae, we sequenced the cpDNAs of nine additional taxa: two klebsormidiophyceans (Entransia fimbriata and Klebsormidium sp. SAG 51.86), one coleocheatophycean (Coleochaete scutata) and six zygnematophyceans (Cylindrocystis brebissonii, Netrium digitus, Roya obtusa, Spirogyra maxima, Cosmarium botrytis and Closterium baillyanum). Our comparative analyses of these genomes with their streptophyte algal counterparts indicate that the large inverted repeat (IR) encoding the rDNA operon experienced loss or expansion/contraction in all three sampled classes and that genes were extensively shuffled in both the Klebsormidiophyceae and Zygnematophyceae. The klebsormidiophycean genomes boast greatly expanded IRs, with the Entransia 60,590-bp IR being the largest known among green algae. The 206,025-bp Entransia cpDNA, which is one of the largest genome among streptophytes, encodes 118 standard genes, i.e., four additional genes compared to its Klebsormidium flaccidum homolog. We inferred that seven of the 21 group II introns usually found in land plants were already present in the common ancestor of the Klebsormidiophyceae and its sister lineages. At 107,236 bp and with 117 standard genes, the Coleochaete IR-less genome is both the smallest and most compact among the streptophyte algal cpDNAs analyzed thus

  12. The Anxiety Sensitivity Index--Revised: Confirmatory Factor Analyses, Structural Invariance in Caucasian and African American Samples, and Score Reliability and Validity

    Science.gov (United States)

    Arnau, Randolph C.; Broman-Fulks, Joshua J.; Green, Bradley A.; Berman, Mitchell E.

    2009-01-01

    The most commonly used measure of anxiety sensitivity is the 36-item Anxiety Sensitivity Index--Revised (ASI-R). Exploratory factor analyses have produced several different factors structures for the ASI-R, but an acceptable fit using confirmatory factor analytic approaches has only been found for a 21-item version of the instrument. We evaluated…

  13. Kvalitative analyser ..

    DEFF Research Database (Denmark)

    Boolsen, Merete Watt

    bogen forklarer de fundamentale trin i forskningsprocessen og applikerer dem på udvalgte kvalitative analyser: indholdsanalyse, Grounded Theory, argumentationsanalyse og diskursanalyse......bogen forklarer de fundamentale trin i forskningsprocessen og applikerer dem på udvalgte kvalitative analyser: indholdsanalyse, Grounded Theory, argumentationsanalyse og diskursanalyse...

  14. Numerical analyses of the effect of SG-interlayer shear stiffness on the structural performance of reinforced glass beams

    DEFF Research Database (Denmark)

    Louter, C.; Nielsen, Jens Henrik

    2013-01-01

    at the post-breakage stage - is investigated. From the results of the analyses it is observed that the residual load-bearing capacity, i.e. the load-bearing capacity after glass fracture, increases with an increasing shear modulus of the SG-interlayer. Furthermore, the load-displacement response from...

  15. Proposal of the Methodology for Analysing the Structural Relationship in the System of Random Process Using the Data Mining Methods

    Science.gov (United States)

    Michaľčonok, German; Kalinová, Michaela Horalová; Németh, Martin

    2014-12-01

    The aim of this paper is to present the possibilities of applying data mining techniques to the problem of analysis of structural relationships in the system of stationary random processes. In this paper, we will approach the area of the random processes, present the process of structural analysis and select suitable circuit data mining methods applicable to the area of structural analysis. We will propose the methodology for the structural analysis in the system of stationary stochastic processes using data mining methods for active experimental approach, based on the theoretical basis.

  16. Proposal of the Methodology for Analysing the Structural Relationship in the System of Random Process Using the Data Mining Methods

    Directory of Open Access Journals (Sweden)

    Michaľčonok German

    2014-12-01

    Full Text Available The aim of this paper is to present the possibilities of applying data mining techniques to the problem of analysis of structural relationships in the system of stationary random processes. In this paper, we will approach the area of the random processes, present the process of structural analysis and select suitable circuit data mining methods applicable to the area of structural analysis. We will propose the methodology for the structural analysis in the system of stationary stochastic processes using data mining methods for active experimental approach, based on the theoretical basis.

  17. Effective modelling, analysis and fatigue assessment of welded structures; Effektive Modellbildung, Analyse und Bewertung fuer die rechnerische Lebensdaueranalyse geschweisster Strukturen

    Energy Technology Data Exchange (ETDEWEB)

    Rauch, R.; Schiele, S. [CADFEM GmbH, Stuttgart (Germany); Rother, K.

    2007-07-01

    Analysis of welded structures is a challenge for the analyst. Improvements of Soft- and Hardware enable an analysis containing full assemblies. Especially for welded structures these possibilities show significant benefits leading to more detailed descriptions of the flux of forces and reducing the effort for the engineer. This paper covers the method for modeling, structural analysis and assessment of welded structures using Finite Element Analysis. A hierarchical concept to localize highly stressed regions using a global model and a local approach according to a notch stress analysis will be presented. (orig.)

  18. Response Analyses of Tuned Mass Dampers to Structures Exposed to Vortex Loading of Simiu-Scanlan Type

    DEFF Research Database (Denmark)

    Andersen, Lars; Birch, N. W.; Hansen, A. H.

    2001-01-01

    Vortex-induced loads on slender one-dimensional structures vibrating at lock-in conditions consist of a self-induced part in phase with the velocity of the structure in addition to an additive, almost harmonially varying component representing the same type of load as the vortex-induced force on ...

  19. Structural analyses of very large semi-submersibles in waves; Choogata hansensuishiki futai no harochu kozo oto kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Iijima, K.; Yoshida, K.; Suzuki, H. [The University of Tokyo, Tokyo (Japan)

    1997-08-01

    An analysis method in which the technique of a vehicle obtained when a three-dimensional singular point distribution method and Kagemoto`s mutual interaction theory are combined was expanded for the fluid area was proposed as the structural analysis of very large semi-submersibles in waves. A partial structure method is used for the structure. In a fluid area, the number of unknown quantities appearing in a final expression could be largely reduced by introducing the new concept of a group body. In this process, both hydro-elasticity and hydrodynamic mutual interaction are considered. As a result, floating bodies that could not be previously calculated can be modeled as a three-dimensional frame structure and the response analysis in waves can be carried out without damaging the accuracy. The calculation result is used as the input data required for analyzing the structural fatigue locally during structural design of very large semi-submersibles in the 3,000 (m) class. This study can present a series of procedures between the response analysis of very large floating bodies in waves and the structural design. 11 refs., 14 figs., 1 tab.

  20. Structural Conditions for Collaboration and Learning in Innovation Networks: Using an Innovation System Performance Lens to Analyse Agricultural Knowledge Systems

    NARCIS (Netherlands)

    Hermans, F.; Klerkx, L.W.A.; Roep, D.

    2015-01-01

    Purpose: We investigate how the structural conditions of eight different European agricultural innovation systems can facilitate or hinder collaboration and social learning in multidisciplinary innovation networks. Methodology: We have adapted the Innovation System Failure Matrix to investigate the

  1. 3D crustal velocity structure beneath the broadband seismic array in the Gyeongju area of Korea by receiver function analyses

    Science.gov (United States)

    Lee, Dong Hun; Lee, Jung Mo; Cho, Hyun-Moo; Kang, Tae-Seob

    2016-10-01

    A temporary seismic array was in operation between October 2010 and March 2013 in the Gyeongju area of Korea. Teleseismic records of the seismic array appropriate for receiver function analysis were collected, and selected seismograms were split into five groups based on epicenters-the Banda-Molucca, Sumatra, Iran, Aleutian, and Vanuatu groups. 1D velocity structures beneath each seismic station were estimated by inverting the stacked receiver functions for possible groups. The inversion was done by applying a genetic algorithm, whereas surface wave dispersion data were used as constraints to avoid non-uniqueness in the inversion. The composite velocity structure was constructed by averaging the velocity structures weighted by the number of receiver functions used in stacking. The uncertainty analysis for the velocity structures showed that the average of 95% confidence intervals was ± 0.1 km/s. The 3D velocity structure was modeled through interpolation of 1D composite velocity structures. Moho depths were determined in each composite velocity structure based on the AK135-F S-wave velocity model, and the depths were similar to the H-κ analysis results. The deepest Moho depth in the study area was found to be 31.9 km, and the shallowest, was 25.9 km. The Moho discontinuity dips in a southwestward direction beneath the area. A low velocity layer was also detected between 4 and 14 km depth. Adakitic intrusions and/or a high geothermal gradient appear to be the causes of this low velocity layer. The 3D velocity structure can be used to reliably assess seismic hazards in this area.

  2. Numerical Analyses of Bearing Capacity of Deep-Embedded Large-Diameter Cylindrical Structure on Soft Ground Against Lateral Loads

    Institute of Scientific and Technical Information of China (English)

    LUAN Mao-tian; FAN Qing-lai

    2006-01-01

    Presented in this paper is a three-dimensional plastic limit analysis method of bearing capacity of the deeply-embedded large-diameter cylindrical structure in the cross-anisotropic soft ground. The most likely failure mechanism is assumed to be of a composite rupture surface which is composed of an individual wedge in the passive zone or two wedges in both active and passive zones near the mudline, depending on the separation or bonding state at the interface between the cylindrical structure and neighboring soils in the active wedge, and a truncated spherical slip surface at the base of the cylinder when the structure tends to overturn around a point located on the symmetry axis of the structure. The cylindrical structure and soil interaction system under consideration is also numerically analyzed by the finite element method by virtue of the general-purpose FEM software ABAQUS, in which the soil is assumed to obey tie Hill's criterion of yield. Both the failure mechanism assumed and the plastic limit analysis predictions are validated by numerical computations based on FEM. For the K0-consolidated ground of clays typically with anisotropic undrained strength property, it is indicated through a parametric study that limit analysis without consideration of anisotropy of soil overestimates the lateral ultimate bearing capacity of a deeply-embedded cylindrical structure in soft ground in a certain condition.

  3. Thermal/structural analyses of several hydrogen-cooled leading-edge concepts for hypersonic flight vehicles

    Science.gov (United States)

    Gladden, Herbert J.; Melis, Matthew E.; Mockler, Theodore T.; Tong, Mike

    1990-01-01

    The aerodynamic heating at high flight Mach numbers, when shock interference heating is included, can be extremely high and can exceed the capability of most conventional metallic and potential ceramic materials available. Numerical analyses of the heat transfer and thermal stresses are performed on three actively cooled leading-edge geometries (models) made of three different materials to address the issue of survivability in a hostile environment. These analyses show a mixture of results from one configuration to the next. Results for each configuration are presented and discussed. Combinations of enhanced internal film coefficients and high material thermal conductivity of copper and tungsten are predicted to maintain the maximum wall temperature for each concept within acceptable operating limits. The exception is the TD nickel material which is predicted to melt for most cases. The wide range of internal impingement film coefficients (based on correlations) for these conditions can lead to a significant uncertainty in expected leading-edge wall temperatures. The equivalent plastic strain, inherent in each configuration which results from the high thermal gradients, indicates a need for further cyclic analysis to determine component life.

  4. Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.

    Science.gov (United States)

    Wang, Ling; Althoff, Eric A; Bolduc, Jill; Jiang, Lin; Moody, James; Lassila, Jonathan K; Giger, Lars; Hilvert, Donald; Stoddard, Barry; Baker, David

    2012-01-20

    We report the cocrystal structures of a computationally designed and experimentally optimized retro-aldol enzyme with covalently bound substrate analogs. The structure with a covalently bound mechanism-based inhibitor is similar to, but not identical with, the design model, with an RMSD of 1.4 Å over active-site residues and equivalent substrate atoms. As in the design model, the binding pocket orients the substrate through hydrophobic interactions with the naphthyl moiety such that the oxygen atoms analogous to the carbinolamine and β-hydroxyl oxygens are positioned near a network of bound waters. However, there are differences between the design model and the structure: the orientation of the naphthyl group and the conformation of the catalytic lysine are slightly different; the bound water network appears to be more extensive; and the bound substrate analog exhibits more conformational heterogeneity than typical native enzyme-inhibitor complexes. Alanine scanning of the active-site residues shows that both the catalytic lysine and the residues around the binding pocket for the substrate naphthyl group make critical contributions to catalysis. Mutating the set of water-coordinating residues also significantly reduces catalytic activity. The crystal structure of the enzyme with a smaller substrate analog that lacks naphthyl ring shows the catalytic lysine to be more flexible than in the naphthyl-substrate complex; increased preorganization of the active site would likely improve catalysis. The covalently bound complex structures and mutagenesis data highlight the strengths and weaknesses of the de novo enzyme design strategy.

  5. Synchrotron radiation structure analyses of the light-induced radical pair of a hexaarylbiimidazolyl derivative. Origin of the spin-multiplicity change

    CERN Document Server

    Kawano, M; Matsubara, K; Imabayashi, H; Mitsumi, M; Toriumi, K; Ohashi, Y

    2002-01-01

    In situ synchrotron radiation structure analyses of a light-induced radical pair from o-Cl-HABI were performed by using an X-ray vacuum camera at 23-70K at the BL02B1 station of SPring-8. The combined results of X-ray analysis with theoretical calculation, IR, and UV-vis spectroscopy reveal that a slight conformational change of the radical pair causes the drastic spin-multiplicity change during 2-140K. (author)

  6. Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc

    Science.gov (United States)

    Stettner, Eva; Jeffers, Scott Allen; Pérez-Vargas, Jimena; Pehau-Arnaudet, Gerard; Tortorici, M. Alejandra; Jestin, Jean-Luc; England, Patrick; Tischler, Nicole D.; Rey, Félix A.

    2016-01-01

    Hantaviruses are zoonotic viruses transmitted to humans by persistently infected rodents, giving rise to serious outbreaks of hemorrhagic fever with renal syndrome (HFRS) or of hantavirus pulmonary syndrome (HPS), depending on the virus, which are associated with high case fatality rates. There is only limited knowledge about the organization of the viral particles and in particular, about the hantavirus membrane fusion glycoprotein Gc, the function of which is essential for virus entry. We describe here the X-ray structures of Gc from Hantaan virus, the type species hantavirus and responsible for HFRS, both in its neutral pH, monomeric pre-fusion conformation, and in its acidic pH, trimeric post-fusion form. The structures confirm the prediction that Gc is a class II fusion protein, containing the characteristic β-sheet rich domains termed I, II and III as initially identified in the fusion proteins of arboviruses such as alpha- and flaviviruses. The structures also show a number of features of Gc that are distinct from arbovirus class II proteins. In particular, hantavirus Gc inserts residues from three different loops into the target membrane to drive fusion, as confirmed functionally by structure-guided mutagenesis on the HPS-inducing Andes virus, instead of having a single “fusion loop”. We further show that the membrane interacting region of Gc becomes structured only at acidic pH via a set of polar and electrostatic interactions. Furthermore, the structure reveals that hantavirus Gc has an additional N-terminal “tail” that is crucial in stabilizing the post-fusion trimer, accompanying the swapping of domain III in the quaternary arrangement of the trimer as compared to the standard class II fusion proteins. The mechanistic understandings derived from these data are likely to provide a unique handle for devising treatments against these human pathogens. PMID:27783711

  7. Physical Description and Determinants of Evolution of Structures. An Attempt to Analyse Their Implications for Optimising Architectural and Urban Space Planning

    Directory of Open Access Journals (Sweden)

    Jerzy Z. Hubert

    2006-07-01

    Full Text Available Physical conditions for spontaneous growth and development of complex structures are discussed: using the concept of {free energy (thermodynamic negentropy} -> {structural information (Shanonnian negentropy} transformation. The phenomena of structure ageing and decay are analysed. Degree of complexity of a structure, direction of its evolution is related to the number of elementary configurations (of constructing of its elements that could be used to construct its identity. Practical conclusions which are drawn refer to the proposition of the optimum architectural design and city planning. As a criterion in this optimisation the best conditions for human well being, development and assuring the best conditions for flourishing of their creativity. Important for non mathematical scientists: presentation is written in simple language using only simple mathematical formulas. It is illustrated by examples in house construction.

  8. Pseudomonas community structure and antagonistic potential in the rhizosphere : insights gained by combining phylogenetic and functional gene-based analyses

    NARCIS (Netherlands)

    Costa, Rodrigo; Gomes, Newton C. M.; Kroegerrecklenfort, Ellen; Opelt, Katja; Berg, Gabriele; Smalla, Kornelia

    2007-01-01

    The Pseudomonas community structure and antagonistic potential in the rhizospheres of strawberry and oilseed rape (host plants of the fungal phytopathogen Verticillium dahliae) were assessed. The use of a new PCR-DGGE system, designed to target Pseudomonas-specific gacA gene fragments in environment

  9. Isolation, Structural Analyses and Biological Activity Assays against Chronic Lymphocytic Leukemia of Two Novel Cytochalasins - Sclerotionigrin A and B

    DEFF Research Database (Denmark)

    Petersen, Lene Maj; Bladt, Tanja Thorskov; Duerr, Claudia;

    2014-01-01

    Two new cytochalasins, sclerotionigrin A (1) and B (2) were isolated together with the known proxiphomin (3) from the filamentous fungus Aspergillus sclerotioniger. The structures and relative stereochemistry of 1 and 2 were determined based on comparison with 3, and from extensive 1D and 2D NMR...

  10. The Decline of Industrial Unionism in the Meatpacking Industry: Event-Structure Analyses of Labor Unrest, 1946-1987.

    Science.gov (United States)

    Brueggemann, John; Brown, Cliff

    2003-01-01

    A study of the United Packinghouse Workers of America compared the postwar years and the Reagan era. Using event-structure analysis, the development of new corporate strategies (new technologies, production reorganization, cheap nonunion labor) fundamentally transformed the capital-labor relationship and led to the collapse of industrial unionism…

  11. Structural Conditions for Collaboration and Learning in Innovation Networks: Using an Innovation System Performance Lens to Analyse Agricultural Knowledge Systems

    Science.gov (United States)

    Hermans, Frans; Klerkx, Laurens; Roep, Dirk

    2015-01-01

    Purpose: We investigate how the structural conditions of eight different European agricultural innovation systems can facilitate or hinder collaboration and social learning in multidisciplinary innovation networks. Methodology: We have adapted the Innovation System Failure Matrix to investigate the main barriers and enablers eight countries…

  12. Analyses of the temporal and spatial structures of heavy rainfall from a catalog of high-resolution radar rainfall fields

    DEFF Research Database (Denmark)

    Thorndahl, Søren; Smith, James A.; Baeck, Mary Lynn

    2014-01-01

    that relate to size, structure and evolution of heavy rainfall. Extreme rainfall is also linked with severe weather (tornados, large hail and damaging wind). The diurnal cycle of rainfall for heavy rain days is characterized by an early peak in the largest rainfall rates, an afternoon-evening peak in rain...

  13. Alterations in T-tubule and dyad structure in heart disease: challenges and opportunities for computational analyses.

    Science.gov (United States)

    Poláková, Eva; Sobie, Eric A

    2013-05-01

    Compelling recent experimental results make clear that sub-cellular structures are altered in ventricular myocytes during the development of heart failure, in both human samples and diverse experimental models. These alterations can include, but are not limited to, changes in the clusters of sarcoplasmic reticulum (SR) Ca(2+)-release channels, ryanodine receptors, and changes in the average distance between the cell membrane and ryanodine receptor clusters. In this review, we discuss the potential consequences of these structural alterations on the triggering of SR Ca(2+) release during excitation-contraction coupling. In particular, we describe how mathematical models of local SR Ca(2+) release can be used to predict functional changes resulting from diverse modifications that occur in disease states. We review recent studies that have used simulations to understand the consequences of sub-cellular structural changes, and we discuss modifications that will allow for future modelling studies to address unresolved questions. We conclude with a discussion of improvements in both experimental and mathematical modelling techniques that will be required to provide a stronger quantitative understanding of the functional consequences of changes in sub-cellular structure in heart disease.

  14. MOLECULAR DOCKING ANALYSES OF CYNODON DACTYLON DERIVED PHYTOCHEMICALS AGAINST WHITE SPOT SYNDROME VIRUS (WSSV STRUCTURAL PROTEIN VP26

    Directory of Open Access Journals (Sweden)

    Damayanthi Devi.I

    2015-05-01

    Full Text Available White spot disease is a major infectious disease of penaeid shrimps caused by the white spot syndrome virus (WSSV. The viral structural proteins are responsib le for binding virus to the cellular membranes of the host that is being systematically infected. An In silic o attempt was made to identify the potential drug to inhibit the WSSV spread of diseases. For that an effort , was made to deduce the antiviral potentiality of Cynodon dactylon derived phytochemicals with docking tec hnique. To stimulate the structure based drug design the, 3D structure of the VP26 (PDB-ID: 2EDM, a tegument protein thought to be i nvolved in the entry of WSSV nucleocapsid into the host nucleus, is retrieved from PDB datab ase and docking studies are carried out with the sketched phytochemical structures using GOLD software. Among the phytochemicals scr eened, luteolin and apigenin shows the best binding affinity with binding energies of 42.51 and 38.92 K.cal/m ol exhibiting the potential to block VP26 (2EDM protein of WSSV. This study will be helpful in developing novel antiviral drugs from plant sources against aquatic important pathogens.

  15. Structured modelling and nonlinear analysis of PEM fuel cells; Strukturierte Modellierung und nichtlineare Analyse von PEM-Brennstoffzellen

    Energy Technology Data Exchange (ETDEWEB)

    Hanke-Rauschenbach, R.

    2007-10-26

    In the first part of this work a model structuring concept for electrochemical systems is presented. The application of such a concept for the structuring of a process model allows it to combine different fuel cell models to form a whole model family, regardless of their level of detail. Beyond this the concept offers the opportunity to flexibly exchange model entities on different model levels. The second part of the work deals with the nonlinear behaviour of PEM fuel cells. With the help of a simple, spatially lumped and isothermal model, bistable current-voltage characteristics of PEM fuel cells operated with low humidified feed gases are predicted and discussed in detail. The cell is found to exhibit current-voltage curves with pronounced local extrema in a parameter range that is of practical interest when operated at constant feed gas flow rates. (orig.)

  16. Examination of Hurricane Sandy's (2012 structure and intensity evolution from full-field and anomaly-field analyses

    Directory of Open Access Journals (Sweden)

    Wei-Hong Qian

    2016-08-01

    Full Text Available An anomaly-based field analysis approach and a set of simple beta-advection models (BAMs have been used to examine the structure evolution and unusual left turn of Hurricane Sandy (2012 before it made the landfall and caused severe damage along the eastern US coast. Results show that the anomaly-based analysis approach can clearly reveal Sandy's structure evolution, including its interaction with other synoptic-scale systems as well as the intensification and extratropical transition (ET processes. During its lifetime, Sandy experienced two consecutive periods of intensification caused by the merging of anomalous vortices on 27 and 29 October. The unusual left turn and the ET process prior to the landfall are respectively influenced by an anomalous anticyclone to the northeast and an anomalous cold vortex at the 300–850 hPa layer to the northwest, which is confirmed by the experiments using the generalised BAM.

  17. Complete Soil-Structure Interaction (SSI) Analyses of I-walls Embedded in Level Ground During Flood Loading

    Science.gov (United States)

    2012-09-01

    8217 El=-2.5’ Sheet pile tip ERDC/ITL TR-12-4 10 (CWALSHT) ( Dawkins 1991) and procedures outlined in HQUSACE (1994). The initial design depth of...mechanics. 6th ed. New York: Chapman and Hall. Dawkins , W. P. 1991. User’s guide: Computer program for design and analysis of sheet- pile walls by... Dawkins , R. Mosher, and I. Hallal. 1997. Soil-structure interaction effects in floodwalls. Electronic Journal of Geotechnical Engineering. http

  18. Ion aggregation in high salt solutions. V. Graph entropy analyses of ion aggregate structure and water hydrogen bonding network

    Science.gov (United States)

    Choi, Jun-Ho; Cho, Minhaeng

    2016-05-01

    Dissolved ions in water tend to form polydisperse ion aggregates such as ion pairs, relatively compact ion clusters, and even spatially extended ion networks with increasing salt concentration. Combining molecular dynamics simulation and graph theoretical analysis methods, we recently studied morphological structures of ion aggregates with distinctively different characteristics. They can be distinguished from each other by calculating various spectral graph theoretical properties such as eigenvalues and eigenvectors of adjacency matrices of ion aggregates and water hydrogen-bonding networks, minimum path lengths, clustering coefficients, and degree distributions. Here, we focus on percolation and graph entropic properties of ion aggregates and water hydrogen-bonding networks in high salt solutions. Ion network-forming K+ and SCN- ions at high concentrations show a percolating behavior in their aqueous solutions, but ion cluster-forming ions in NaCl solutions do not show such a transition from isolated ion aggregates to percolating ion-water mixture morphology. Despite that the ion aggregate structures are strikingly different for either cluster- or network-forming ions in high salt solutions, it is interesting that the water structures remain insensitive to the electrostatic properties, such as charge densities and polydentate properties, of dissolved ions, and morphological structures of water H-bonding networks appear to be highly robust regardless of the nature and concentration of salt. We anticipate that the present graph entropy analysis results would be of use in understanding a variety of anomalous behaviors of interfacial water around biomolecules as well as electric conductivities of high electrolyte solutions.

  19. Genetic and structural analyses suggest that a novel SPG3A mutation causes severe phenotypes of hereditary spastic paraplegia

    Institute of Scientific and Technical Information of China (English)

    CHEN Suqin; ZHOU Yan; LI Xunhua; Labu; HUANG Shuang; HUANG Weijun; ZHOU Chunlong; liu; WANG Yiming

    2006-01-01

    Hereditary spastic paraplegia (HSP) is a group of neurodegenerative diseases. The genotypes and phenotypes of HSP are extremely heterogenous. SPG3A is one of the identified genes underlying HSP, and codes for a GTPase, atlastin. Mutations in SPG3A are currently believed to be associated with early onset and mild phenotypes. And most structural predictions could not detect gross changes in the mutant protein. However, in a severely affected HSP family we have identified a novel SPG3A mutation, c.1228G>A (p.G410R), in a Tibetan kindred. The mutation occurred at the highly conserved nucleotide and co-segregated with the disease, and was absent in the control subjects. Structural predictions showed that the Tibetan mutation occurred at the linking part between the guanylate-binding protein domain (GB, the ball region) and the transmembrane helices (TM, the rod region) at the start point of an α-helix, which may disrupt the helix, and cause changes in the overall structure of the transmembrane region of the molecule. Our results indicate that severe phenotypes can also arise from SPG3A mutations and the linking part of the guanylate-binding protein domain and the transmembrane helices might be crucial in determining the severity of the disease. This paper not only presents the first SPG3A mutational report from the Chinese population, but also provides potential evidence for a possible correlation between the severity of the phenotypes of HSP with the extension of the changes in the protein structures of atlastin.

  20. Structural features of the southern Tulum Fault System, western central Argentina, through gravimetric data and geomorphologic analyses

    Science.gov (United States)

    Rodríguez, Aixa I.; Christiansen, Rodolfo O.; Suvires, Graciela M.; Lince Klinger, Federico; Martinez, M. Patricia

    2016-12-01

    A gravimetric analysis over the Tulum Valley was made. This data was used to reveal the structural setting of the Tulum Fault System situated in the southeastern part of San Juan province in the arid western part of Argentina. This system is the boundary between two geological provinces, the eastern Precordillera Oriental and the Sierras Pampeanas Occidentales. Gravity data was processed using upward continuation and vertical derivative filters and all the results were compared with the geomorphological and the drainage systems maps of the area. Our assessment confirms the presence of two structures in the Pampeano basement with positive anomalies similar to those found in Valdivia and Barboza hills, two important depocenters with low gravimetric gradients separated by a zone with higher gravity anomalies than the depocenters to the east and west. In view of this, a structural map is proposed for the area. This system is important not only because it is the boundary between two geological provinces and has significance regarding regional tectonic issues but also because it controls the surface drainage, soils distribution and groundwater flow of the Tulum basin conditioning the land use distribution.

  1. Simulations of the grand design galaxy M51: a case study for analysing tidally induced spiral structure

    Science.gov (United States)

    Dobbs, C. L.; Theis, C.; Pringle, J. E.; Bate, M. R.

    2010-04-01

    We present hydrodynamical models of the grand design spiral M51 (NGC 5194), and its interaction with its companion NGC 5195. Despite the simplicity of our models, our simulations capture the present-day spiral structure of M51 remarkably well, and even reproduce details such as a kink along one spiral arm, and spiral arm bifurcations. We investigate the offset between the stellar and gaseous spiral arms, and find at most times (including the present day) there is no offset between the stars and gas within our error bars. We also compare our simulations with recent observational analysis of M51. We compute the pattern speed versus radius, and similar to observations, find no single global pattern speed. We also show that the spiral arms cannot be fitted well by logarithmic spirals. We interpret these findings as evidence that M51 does not exhibit a quasi-steady density wave, as would be predicted by density wave theory. The internal structure of M51 derives from the complicated and dynamical interaction with its companion, resulting in spiral arms showing considerable structure in the form of short-lived kinks and bifurcations. Rather than trying to model such galaxies in terms of global spiral modes with fixed pattern speeds, it is more realistic to start from a picture in which the spiral arms, while not being simple material arms, are the result of tidally induced kinematic density `waves' or density patterns, which wind up slowly over time.

  2. Structural and Functional Analyses of a Glycoside Hydrolase Family 5 Enzyme with an Unexpected [beta]-Fucosidase Activity

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, Shosuke; Park, David S.; Bae, Brian; Mackie, Roderick; Cann, Isaac K.O.; Nair, Satish K. (UIUC)

    2012-02-15

    We present characterization of PbFucA, a family 5 glycoside hydrolase (GH5) from Prevotella bryantii B{sub 1}4. While GH5 members typically are xylanases, PbFucA shows no activity toward xylan polysaccharides. A screen against a panel of p-nitrophenol coupled sugars identifies PbFucA as a {beta}-D-fucosidase. We also present the 2.2 {angstrom} resolution structure of PbFucA and use structure-based mutational analysis to confirm the role of catalytically essential residues. A comparison of the active sites of PbFucA with those of family 5 and 51 glycosidases reveals that while the essential catalytic framework is identical between these enzymes, the steric contours of the respective active site clefts are distinct and likely account for substrate discrimination. Our results show that members of this cluster of orthologous group (COG) 5520 have {beta}-D-fucosidase activities, despite showing an overall sequence and structural similarity to GH-5 xylanases.

  3. Simplified method for the frequency analysis of offshore structures with inclined members; Methode simplifiee pour l`analyse dynamique en frequence des structures offshore a membres inclines

    Energy Technology Data Exchange (ETDEWEB)

    Genatios, C.; Lafuente, M.; Garces, F. [Universidad Central de Venezuela, IMME, Caracas (Venezuela); Ferrante, A. [Universidade Federal do Rio de Janeiro, COPPE (Brazil)

    1998-12-01

    This paper presents a simplified procedure for the deterministic dynamic analysis of offshore structures with inclined members in the frequency domain. This simplified procedure requires the linearization of the velocity term of the Morison formula. A direct time integration method is implemented in the time domain, in order to verify the efficiency of the frequency domain procedure and the consequences of the involved simplifications. Three typical structures: a caisson, a steel jacket and a reinforced concrete lacustrine structure, are analyzed. Linearization of the velocity term, leads to more conservative results with a maximal error of 15 % for the three analyzed structures. (authors) 19 refs.

  4. Volumetric and shape analyses of subcortical structures in United States service members with mild traumatic brain injury.

    Science.gov (United States)

    Tate, David F; Wade, Benjamin S C; Velez, Carmen S; Drennon, Ann Marie; Bolzenius, Jacob; Gutman, Boris A; Thompson, Paul M; Lewis, Jeffrey D; Wilde, Elisabeth A; Bigler, Erin D; Shenton, Martha E; Ritter, John L; York, Gerald E

    2016-10-01

    Mild traumatic brain injury (mTBI) is a significant health concern. The majority who sustain mTBI recover, although ~20 % continue to experience symptoms that can interfere with quality of life. Accordingly, there is a critical need to improve diagnosis, prognostic accuracy, and monitoring (recovery trajectory over time) of mTBI. Volumetric magnetic resonance imaging (MRI) has been successfully utilized to examine TBI. One promising improvement over standard volumetric approaches is to analyze high-dimensional shape characteristics of brain structures. In this study, subcortical shape and volume in 76 Service Members with mTBI was compared to 59 Service Members with orthopedic injury (OI) and 17 with post-traumatic stress disorder (PTSD) only. FreeSurfer was used to quantify structures from T1-weighted 3 T MRI data. Radial distance (RD) and Jacobian determinant (JD) were defined vertex-wise on parametric mesh-representations of subcortical structures. Linear regression was used to model associations between morphometry (volume and shape), TBI status, and time since injury (TSI) correcting for age, sex, intracranial volume, and level of education. Volumetric data was not significantly different between the groups. JD was significantly increased in the accumbens and caudate and significantly reduced in the thalamus of mTBI participants. Additional significant associations were noted between RD of the amygdala and TSI. Positive trend-level associations between TSI and the amygdala and accumbens were observed, while a negative association was observed for third ventricle. Our findings may aid in the initial diagnosis of mTBI, provide biological targets for functional examination, and elucidate regions that may continue remodeling after injury.

  5. Combining Internet monitoring processes, packaging and isotopic analyses to determine the market structure: example of Gamma Butyrolactone.

    Science.gov (United States)

    Pazos, Diego; Giannasi, Pauline; Rossy, Quentin; Esseiva, Pierre

    2013-07-10

    The Internet is becoming more and more popular among drug users. The use of websites and forums to obtain illicit drugs and relevant information about the means of consumption is a growing phenomenon mainly for new synthetic drugs. Gamma Butyrolactone (GBL), a chemical precursor of Gamma Hydroxy Butyric acid (GHB), is used as a "club drug" and also in drug facilitated sexual assaults. Its market takes place mainly on the Internet through online websites but the structure of the market remains unknown. This research aims to combine digital, physical and chemical information to help understand the distribution routes and the structure of the GBL market. Based on an Internet monitoring process, thirty-nine websites selling GBL, mainly in the Netherlands, were detected between January 2010 and December 2011. Seventeen websites were categorized into six groups based on digital traces (e.g. IP addresses and contact information). In parallel, twenty-five bulk GBL specimens were purchased from sixteen websites for packaging comparisons and carbon isotopic measurements. Packaging information showed a high correlation with digital data confirming the links previously established whereas chemical information revealed undetected links and provided complementary information. Indeed, while digital and packaging data give relevant information about the retailers, the supply routes and the distribution close to the consumer, the carbon isotopic data provides upstream information about the production level and in particular the synthesis pathways and the chemical precursors. A three-level structured market has been thereby identified with a production level mainly located in China and in Germany, an online distribution level mainly hosted in the Netherlands and the customers who order on the Internet.

  6. Numerical analyses of the effect of SG‐interlayer shear stiffness on the structural performance of reinforced glass beams

    DEFF Research Database (Denmark)

    Louter, C.; Nielsen, Jens Henrik

    2013-01-01

    This paper focuses on the numerical modelling of SentryGlas-laminated reinforced glass beams. In these beams, which have been experimentally investigated in preceding research, a stainless steel reinforcement section is laminated at the inner recessed edge of a triple-layer glass beam by means of...... of SentryGlas (SG) interlayer sheets. The current contribution numerically investigates the effect of the SG-interlayer shear stiffness on the overall structural response of the beams. This is done by means of a 3D finite element model in which the individual glass layers, the SG...

  7. Novel amide-type ligand bearing bis-pyridine cores: Synthesis, spectral characterizations and X-ray structure analyses

    Science.gov (United States)

    Ke, Shaoyong

    2016-08-01

    The novel salicylamide-type ligand containing bis-pyridine moieties, i.e. 2-((6-chloropyridin-3-yl)methoxy)-N-(2-((6-chloropyridin-3-yl)methylthio)phenyl)benzamide, which has been successfully synthesized and characterized by typical spectroscopic techniques mainly including IR, 1H NMR and ESI-MS. The structure of target compound was further determined by single crystal X-ray diffraction method and which crystallized in the monoclinic system with space group P2(1)/c.

  8. Simulations of the grand design galaxy M51: a case study for analysing tidally induced spiral structure

    CERN Document Server

    Dobbs, C L; Pringle, J E; Bate, M R

    2009-01-01

    We present hydrodynamical models of the grand design spiral M51 (NGC 5194), and its interaction with its companion NGC 5195. Despite the simplicity of our models, our simulations capture the present day spiral structure of M51 remarkably well, and even reproduce details such as a kink along one spiral arm, and spiral arm bifurcations. We investigate the offset between the stellar and gaseous spiral arms, and find at most times (including the present day) there is no offset between the stars and gas to within our error bars. We also compare our simulations with recent observational analysis of M51. We compute the pattern speed versus radius, and like the observations, find no single global pattern speed. We also show that the spiral arms cannot be fitted well by logarithmic spirals. We interpret these findings as evidence that M51 does not exhibit a quasi-steady density wave, as would be predicted by density wave theory. The internal structure of M51 derives from the complicated and dynamical interaction with ...

  9. The Pectin Methylesterase Gene Complement of Phytophthora sojae: Structural and Functional Analyses, and the Evolutionary Relationships with Its Oomycete Homologs.

    Science.gov (United States)

    Horowitz, Brent B; Ospina-Giraldo, Manuel D

    2015-01-01

    Phytophthora sojae is an oomycete pathogen that causes the disease known as root and stem rot in soybean plants, frequently leading to massive economic damage. Additionally, P. sojae is increasingly being utilized as a model for phytopathogenic oomycete research. Despite the economic and scientific importance of P. sojae, the mechanism by which it penetrates the host roots is not yet fully understood. It has been found that oomycetes are not capable of penetrating the cell wall solely through mechanical force, suggesting that alternative factors facilitate breakdown of the host cell wall. Pectin methylesterases have been suggested to be important for Phytophthora pathogenicity, but no data exist on their role in the P. sojae infection process. We have scanned the newly revised version of the annotated P. sojae genome for the presence of putative pectin methylesterases genes and conducted a sequence analysis of all gene models found. We also searched for potential regulatory motifs in the promoter region of the proposed P. sojae models, and investigated the gene expression levels throughout the early course of infection on soybean plants. We found that P. sojae contains a large repertoire of pectin methylesterase-coding genes and that most of these genes display similar motifs in the promoter region, indicating the possibility of a shared regulatory mechanism. Phylogenetic analyses confirmed the evolutionary relatedness of the pectin methylesterase-coding genes within and across Phytophthora spp. In addition, the gene duplication events that led to the emergence of this gene family appear to have occurred prior to many speciation events in the genus Phytophthora. Our results also indicate that the highest levels of expression occurred in the first 24 hours post inoculation, with expression falling after this time. Our study provides evidence that pectin methylesterases may be important for the early action of the P. sojae infection process.

  10. Combined genomic and structural analyses of a cultured magnetotactic bacterium reveals its niche adaptation to a dynamic environment

    Directory of Open Access Journals (Sweden)

    Ana Carolina Vieira Araujo

    2016-10-01

    Full Text Available Abstract Background Magnetotactic bacteria (MTB are a unique group of prokaryotes that have a potentially high impact on global geochemical cycling of significant primary elements because of their metabolic plasticity and the ability to biomineralize iron-rich magnetic particles called magnetosomes. Understanding the genetic composition of the few cultivated MTB along with the unique morphological features of this group of bacteria may provide an important framework for discerning their potential biogeochemical roles in natural environments. Results Genomic and ultrastructural analyses were combined to characterize the cultivated magnetotactic coccus Magnetofaba australis strain IT-1. Cells of this species synthesize a single chain of elongated, cuboctahedral magnetite (Fe3O4 magnetosomes that cause them to align along magnetic field lines while they swim being propelled by two bundles of flagella at velocities up to 300 μm s−1. High-speed microscopy imaging showed the cells move in a straight line rather than in the helical trajectory described for other magnetotactic cocci. Specific genes within the genome of Mf. australis strain IT-1 suggest the strain is capable of nitrogen fixation, sulfur reduction and oxidation, synthesis of intracellular polyphosphate granules and transporting iron with low and high affinity. Mf. australis strain IT-1 and Magnetococcus marinus strain MC-1 are closely related phylogenetically although similarity values between their homologous proteins are not very high. Conclusion Mf. australis strain IT-1 inhabits a constantly changing environment and its complete genome sequence reveals a great metabolic plasticity to deal with these changes. Aside from its chemoautotrophic and chemoheterotrophic metabolism, genomic data indicate the cells are capable of nitrogen fixation, possess high and low affinity iron transporters, and might be capable of reducing and oxidizing a number of sulfur compounds. The relatively

  11. The Research on Modal Analyse of Mini-car Body Structure%微型客车车身结构模态分析研究

    Institute of Scientific and Technical Information of China (English)

    李慧; 程丹; 黄宗斌

    2011-01-01

    采用模态分析方法,针对由于振动带来的车身结构变形进行了分析,获得了车身在原始设计状态下的振动频率和结构变形,预测出了车身在不同频率下的振动模态,通过增加局部结构件的方式在加强车身的刚度的同时提高了车身的低阶振动频率,进而降低车身的结构变形.通过模态分析和实验结合的方式获得了满足车身刚度设计要求的车身结构.路试证明,模态分析是一种有效的预测方法,增加的局部结构件能够有效地提高车身的刚度.%Abstract By the way of modal analyses, the deformation about the structure of mini-car body caused by vibrate was analyzed.Frequency of vibration and structure deformation of white car body in the original design state were achieved.At the same time, the modals of vibration in different frequency were predicted.Local strengthen parts were designed to increase the stiffness of whole white car body.The low level vibration frequency was increased simultaneously.With the design changing, the deformation of structure is decreased.At last, satisfied structure met the requirement of original design was obtained by the way of combination of modal analyses and experiment.Road tried by driving showed that modal analyses is an effect studying way and strengthen local parts can increase whole white boy stiffness efficiently.

  12. Discovery of potent NEK2 inhibitors as potential anticancer agents using structure-based exploration of NEK2 pharmacophoric space coupled with QSAR analyses.

    Science.gov (United States)

    Khanfar, Mohammad A; Banat, Fahmy; Alabed, Shada; Alqtaishat, Saja

    2017-02-01

    High expression of Nek2 has been detected in several types of cancer and it represents a novel target for human cancer. In the current study, structure-based pharmacophore modeling combined with multiple linear regression (MLR)-based QSAR analyses was applied to disclose the structural requirements for NEK2 inhibition. Generated pharmacophoric models were initially validated with receiver operating characteristic (ROC) curve, and optimum models were subsequently implemented in QSAR modeling with other physiochemical descriptors. QSAR-selected models were implied as 3D search filters to mine the National Cancer Institute (NCI) database for novel NEK2 inhibitors, whereas the associated QSAR model prioritized the bioactivities of captured hits for in vitro evaluation. Experimental validation identified several potent NEK2 inhibitors of novel structural scaffolds. The most potent captured hit exhibited an [Formula: see text] value of 237 nM.

  13. Integrated Design Analysis and Optimisation of Aircraft Structures (L’Analyse pour la Conception Integree et l’Optimisation des Structures d’Aeronefs)

    Science.gov (United States)

    1992-02-01

    Panel Chairman: Mr Samuel L. Venneri Deputy Chairman: Mr Roger Labourdette Director, Materials & Structures Directeur Scientifique des Structures...JJ.Kacprzynski CA M.L.Minges us H.H.Ottens NL R.Potter UK M.Rother GE A. Salvetti IT N. Sandsmark NO ’.F Tovar de Lemos PO S.L.Venneri us A.P Ward UK

  14. Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.

    Directory of Open Access Journals (Sweden)

    Rodrigo Torres

    Full Text Available Human diseases are attributed in part to the ability of pathogens to evade the eukaryotic immune systems. A subset of these pathogens has developed mechanisms to survive in human macrophages. Yersinia pestis, the causative agent of the bubonic plague, is a predominately extracellular pathogen with the ability to survive and replicate intracellularly. A previous study has shown that a novel rip (required for intracellular proliferation operon (ripA, ripB and ripC is essential for replication and survival of Y. pestis in postactivated macrophages, by playing a role in lowering macrophage-produced nitric oxide (NO levels. A bioinformatics analysis indicates that the rip operon is conserved among a distally related subset of macrophage-residing pathogens, including Burkholderia and Salmonella species, and suggests that this previously uncharacterized pathway is also required for intracellular survival of these pathogens. The focus of this study is ripA, which encodes for a protein highly homologous to 4-hydroxybutyrate-CoA transferase; however, biochemical analysis suggests that RipA functions as a butyryl-CoA transferase. The 1.9 Å X-ray crystal structure reveals that RipA belongs to the class of Family I CoA transferases and exhibits a unique tetrameric state. Molecular dynamics simulations are consistent with RipA tetramer formation and suggest a possible gating mechanism for CoA binding mediated by Val227. Together, our structural characterization and molecular dynamic simulations offer insights into acyl-CoA specificity within the active site binding pocket, and support biochemical results that RipA is a butyryl-CoA transferase. We hypothesize that the end product of the rip operon is butyrate, a known anti-inflammatory, which has been shown to lower NO levels in macrophages. Thus, the results of this molecular study of Y. pestis RipA provide a structural platform for rational inhibitor design, which may lead to a greater understanding of the

  15. DFT study with inclusion of the Grimme potential on anatase TiO2: structure, electronic, and vibrational analyses.

    Science.gov (United States)

    Albuquerque, Anderson R; Garzim, Marcos L; Santos, Iêda M G dos; Longo, Valeria; Longo, Elson; Sambrano, Julio R

    2012-11-29

    Periodic DFT/B3LYP calculations for TiO(2) anatase bulk were carried out including semiempirical dispersive interactions (DFT-D2) to pure Khon-Sham DFT energy. From this standard methodology, van der Waals (vdW) radii were optimized to 1.4214 Å for titanium and 1.3420 Å for oxygen centers in order to achieve a better structural description. The results from this approach (here named DFT/B3LYP-D*) showed a better description for lattice constants, vibrational IR and Raman, energy band gaps, and bulk modulus than default DFT/B3LYP and DFT/B3LYP-D. The dispersion correction showed more reliable results and was necessary to achieve a good agreement with reported single crystal results, without new formalism or additional computational cost.

  16. Structural and Physiological Analyses of the Alkanesulphonate-Binding Protein (SsuA) of the Citrus Pathogen Xanthomonas citri

    Science.gov (United States)

    Tófoli de Araújo, Fabiano; Bolanos-Garcia, Victor M.; Pereira, Cristiane T.; Sanches, Mario; Oshiro, Elisa E.; Ferreira, Rita C. C.; Chigardze, Dimitri Y.; Barbosa, João Alexandre Gonçalves; de Souza Ferreira, Luís Carlos; Benedetti, Celso E.; Blundell, Tom L.; Balan, Andrea

    2013-01-01

    Background The uptake of sulphur-containing compounds plays a pivotal role in the physiology of bacteria that live in aerobic soils where organosulfur compounds such as sulphonates and sulphate esters represent more than 95% of the available sulphur. Until now, no information has been available on the uptake of sulphonates by bacterial plant pathogens, particularly those of the Xanthomonas genus, which encompasses several pathogenic species. In the present study, we characterised the alkanesulphonate uptake system (Ssu) of Xanthomonas axonopodis pv. citri 306 strain (X. citri), the etiological agent of citrus canker. Methodology/Principal Findings A single operon-like gene cluster (ssuEDACB) that encodes both the sulphur uptake system and enzymes involved in desulphurisation was detected in the genomes of X. citri and of the closely related species. We characterised X. citri SsuA protein, a periplasmic alkanesulphonate-binding protein that, together with SsuC and SsuB, defines the alkanesulphonate uptake system. The crystal structure of SsuA bound to MOPS, MES and HEPES, which is herein described for the first time, provides evidence for the importance of a conserved dipole in sulphate group coordination, identifies specific amino acids interacting with the sulphate group and shows the presence of a rather large binding pocket that explains the rather wide range of molecules recognised by the protein. Isolation of an isogenic ssuA-knockout derivative of the X. citri 306 strain showed that disruption of alkanesulphonate uptake affects both xanthan gum production and generation of canker lesions in sweet orange leaves. Conclusions/Significance The present study unravels unique structural and functional features of the X. citri SsuA protein and provides the first experimental evidence that an ABC uptake system affects the virulence of this phytopathogen. PMID:24282519

  17. Structural and physiological analyses of the alkanesulphonate-binding protein (SsuA of the citrus pathogen Xanthomonas citri.

    Directory of Open Access Journals (Sweden)

    Fabiano Tófoli de Araújo

    Full Text Available BACKGROUND: The uptake of sulphur-containing compounds plays a pivotal role in the physiology of bacteria that live in aerobic soils where organosulfur compounds such as sulphonates and sulphate esters represent more than 95% of the available sulphur. Until now, no information has been available on the uptake of sulphonates by bacterial plant pathogens, particularly those of the Xanthomonas genus, which encompasses several pathogenic species. In the present study, we characterised the alkanesulphonate uptake system (Ssu of Xanthomonas axonopodis pv. citri 306 strain (X. citri, the etiological agent of citrus canker. METHODOLOGY/PRINCIPAL FINDINGS: A single operon-like gene cluster (ssuEDACB that encodes both the sulphur uptake system and enzymes involved in desulphurisation was detected in the genomes of X. citri and of the closely related species. We characterised X. citri SsuA protein, a periplasmic alkanesulphonate-binding protein that, together with SsuC and SsuB, defines the alkanesulphonate uptake system. The crystal structure of SsuA bound to MOPS, MES and HEPES, which is herein described for the first time, provides evidence for the importance of a conserved dipole in sulphate group coordination, identifies specific amino acids interacting with the sulphate group and shows the presence of a rather large binding pocket that explains the rather wide range of molecules recognised by the protein. Isolation of an isogenic ssuA-knockout derivative of the X. citri 306 strain showed that disruption of alkanesulphonate uptake affects both xanthan gum production and generation of canker lesions in sweet orange leaves. CONCLUSIONS/SIGNIFICANCE: The present study unravels unique structural and functional features of the X. citri SsuA protein and provides the first experimental evidence that an ABC uptake system affects the virulence of this phytopathogen.

  18. Analysing urban planning implications from an electric vehicles scenario for urban structure-, transport- and energy-systems

    Energy Technology Data Exchange (ETDEWEB)

    Rid, Wolfgang [Stuttgart Univ. (Germany). Lehrstuhl Stadtplanung und Entwerfen; Fachhochschule Erfurt (Germany). Fachgebiet Stadt- und Regionaloekonomie; Pesch, Franz; Wewer, Max; Sperle, Tilman [Stuttgart Univ. (Germany). Lehrstuhl Stadtplanung und Entwerfen

    2013-06-01

    Depending on scenarios of actual electric vehicles on the road, ''electric mobility'' will heavily affect urban planning and infrastructure. We analyze these effects by developing an ''urban typology for electro-mobility''. By doing so, we seek to demonstrate that both requirements from electric vehicle scenarios (infrastructure, on-site provision of renewable energy etc.) and potential benefits (noise-reduction, NOx-reduction, modal-split etc.) are dependent on the urban context. The typology was developed according to preliminary studies' results recommending to use the GFZ (Gross Floor Area) and residential density to describe different types of urban structure, but additionally makes use of the proportion of public space and number of resident families (per ha net residential area) to extract five different ''urban types for electro-mobility''. Electro-mobility will have a significant climate effect only if 'green' electric power production is able to provide the additional amount of renewable energy needed. On-site power plants must be further developed to reduce externalities from large scale power plants providing C02-free energy (e.g. externalities from offshore wind energy plants). The potential to produce renewable energy from on-site power plants is dependent on the type of the urban context: Advanced ''plus-energy-concepts'' for example, today, are restricted to building scales of low-density residential zones, whereas in inner city zones, buildings have to provide energy for far more people per floorspace or for cooling purposes, as well. On-site renewable energy plants should be placed in urban settings, where they can work most efficiently and where they can be best integrated into the urban context given, hence, electro-mobility needs to be viewed from an urban perspective. Many other projects, so far, have investigated technical solutions to improve

  19. Physicochemical analyses of a bioactive 4-aminoantipyrine analogue - synthesis, crystal structure, solid state interactions, antibacterial, conformational and docking studies

    Science.gov (United States)

    Alam, Mohammad Sayed; Lee, Dong-Ung

    2016-01-01

    A novel Schiff base derivative of 4-aminoantipyrine, that is, (E)-4-(2-methoxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (MBA-dMPP), was synthesized and characterized by FT-IR, 1H-NMR, and EI-MS. Single-crystal X-ray diffraction data revealed MBA-dMPP adopts a trans configuration around its central C=N double bond, and forms orthorhombic crystals. XRD revealed that MBA-dMPP possess two different planes, in which the pyrazolone and benzylidene groups attached to C9 of the pyrazolone ring are almost coplanar and the phenyl ring connected to the N1 atom of the pyrazolone moiety lies in another plane. The intermolecular, host-guest C-H…O, C-H…N, and C-H…C van der Waals interactions were found to form a 3D network and confer stability to the MBA-dMPP crystal structure. The quantitative and qualitative solid state behaviors of MBA-dMPP were subjected to 3D Hirshfeld surface analysis and 2D fingerprint plotting. Reciprocal H…H contacts contributed most (52.9 %) to the Hirshfeld surface, followed by C…H/H…C contacts (30.2 %), whereas, O…H/H…O and N…H/H…N interactions contributed 15.5 % to the Hirshfeld surface. Electrostatic potentials were mapped over the Hirshfeld surface to analyze electrostatic complementarities within the MBA-dMPP crystal. In addition, geometrical descriptors were also analyzed to the extent of surface interactions. MBA-dMPP was also investigated for in vitro antibacterial activity against Gram-positive and Gram-negative bacterial strains, and showed highest activity against Bacillus cereus (MIC = 12.5 μg mL-1) and Salmonella tythimurium (MIC = 50 μg mL-1). In silico screening was conducted by docking MBA-dMPP on the active site of S12 bacterial protein (an important therapeutic target of antibacterial agents) and its binding properties were compared with those of ciprofloxacin. Moreover, a field points map of MBA-dMPP ligand was studied to determine electrostatic and van der Waals forces, hydrophobic potentials

  20. Physicochemical analyses of a bioactive 4-aminoantipyrine analogue - synthesis, crystal structure, solid state interactions, antibacterial, conformational and docking studies.

    Science.gov (United States)

    Alam, Mohammad Sayed; Lee, Dong-Ung

    2016-01-01

    A novel Schiff base derivative of 4-aminoantipyrine, that is, (E)-4-(2-methoxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (MBA-dMPP), was synthesized and characterized by FT-IR, (1)H-NMR, and EI-MS. Single-crystal X-ray diffraction data revealed MBA-dMPP adopts a trans configuration around its central C=N double bond, and forms orthorhombic crystals. XRD revealed that MBA-dMPP possess two different planes, in which the pyrazolone and benzylidene groups attached to C9 of the pyrazolone ring are almost coplanar and the phenyl ring connected to the N1 atom of the pyrazolone moiety lies in another plane. The intermolecular, host-guest C-H…O, C-H…N, and C-H…C van der Waals interactions were found to form a 3D network and confer stability to the MBA-dMPP crystal structure. The quantitative and qualitative solid state behaviors of MBA-dMPP were subjected to 3D Hirshfeld surface analysis and 2D fingerprint plotting. Reciprocal H…H contacts contributed most (52.9 %) to the Hirshfeld surface, followed by C…H/H…C contacts (30.2 %), whereas, O…H/H…O and N…H/H…N interactions contributed 15.5 % to the Hirshfeld surface. Electrostatic potentials were mapped over the Hirshfeld surface to analyze electrostatic complementarities within the MBA-dMPP crystal. In addition, geometrical descriptors were also analyzed to the extent of surface interactions. MBA-dMPP was also investigated for in vitro antibacterial activity against Gram-positive and Gram-negative bacterial strains, and showed highest activity against Bacillus cereus (MIC = 12.5 μg mL(-1)) and Salmonellatythimurium (MIC = 50 μg mL(-1)). In silico screening was conducted by docking MBA-dMPP on the active site of S12 bacterial protein (an important therapeutic target of antibacterial agents) and its binding properties were compared with those of ciprofloxacin. Moreover, a field points map of MBA-dMPP ligand was studied to determine electrostatic and van der Waals forces, hydrophobic

  1. Secondary structure analyses of the nuclear rRNA internal transcribed spacers and assessment of its phylogenetic utility across the Brassicaceae (mustards.

    Directory of Open Access Journals (Sweden)

    Patrick P Edger

    Full Text Available The internal transcribed spacers of the nuclear ribosomal RNA gene cluster, termed ITS1 and ITS2, are the most frequently used nuclear markers for phylogenetic analyses across many eukaryotic groups including most plant families. The reasons for the popularity of these markers include: 1. Ease of amplification due to high copy number of the gene clusters, 2. Available cost-effective methods and highly conserved primers, 3. Rapidly evolving markers (i.e. variable between closely related species, and 4. The assumption (and/or treatment that these sequences are non-functional, neutrally evolving phylogenetic markers. Here, our analyses of ITS1 and ITS2 for 50 species suggest that both sequences are instead under selective constraints to preserve proper secondary structure, likely to maintain complete self-splicing functions, and thus are not neutrally-evolving phylogenetic markers. Our results indicate the majority of sequence sites are co-evolving with other positions to form proper secondary structure, which has implications for phylogenetic inference. We also found that the lowest energy state and total number of possible alternate secondary structures are highly significantly different between ITS regions and random sequences with an identical overall length and Guanine-Cytosine (GC content. Lastly, we review recent evidence highlighting some additional problematic issues with using these regions as the sole markers for phylogenetic studies, and thus strongly recommend additional markers and cost-effective approaches for future studies to estimate phylogenetic relationships.

  2. Non-linear dynamic analyses of 3D masonry structures by means of a homogenized rigid body and spring model (HRBSM)

    Science.gov (United States)

    Bertolesi, Elisa; Milani, Gabriele; Casolo, Siro

    2016-12-01

    A simple homogenized rigid body and spring model (HRBSM) is presented and applied for the non-linear dynamic analysis of 3D masonry structures. The approach, previously developed by the authors for the modeling of in-plane loaded walls is herein extended to real 3D buildings subjected to in- and out-of-plane deformation modes. The elementary cell is discretized by means of three-noded plane stress elements and non-linear interfaces. At a structural level, the non-linear analyses are performed replacing the homogenized orthotropic continuum with a rigid element and non-linear spring assemblage (RBSM) by means of which both in and out of plane mechanisms are allowed. All the simulations here presented are performed using the commercial software Abaqus. In order to validate the proposed model for the analyses of full scale structures subjected to seismic actions, two different examples are critically discussed, namely a church façade and an in-scale masonry building, both subjected to dynamic excitation. The results obtained are compared with experimental or numerical results available in literature.

  3. Structural, optical and morphological analyses of pristine titanium di-oxide nanoparticles--synthesized via sol-gel route.

    Science.gov (United States)

    Praveen, P; Viruthagiri, G; Mugundan, S; Shanmugam, N

    2014-01-03

    Pure titanium di-oxide nanoparticles (TiO2) were synthesized by sol-gel technique at room temperature with appropriate reactants. The synthesis of anatase phase TiO2 nanoparticles was achieved by tetraisopropyl orthotitanate and 2-propanol as common starting materials and the product was annealed at 450 °C for 4 h. The synthesized product was characterized by X-ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FTIR), UV-VIS-Diffuse reflectance spectroscopy (DRS), Photoluminescence (PL) spectroscopy and Scanning electron microscopy (SEM) with Energy dispersive X-ray (EDX) analysis. XRD pattern confirmed the crystalline nature and tetragonal structure of synthesized composition. Average grain size was determined from X-ray line broadening, using the Debye-Scherrer relation. The functional groups present in the sample were identified by FTIR spectroscopy. Diffuse reflectance measurement indicated an absorption band edge on UV-region. The allowed direct and indirect band gap energies, as well as the crystallite size of pure TiO2 nanoparticles are calculated from DRS analysis. The microstructure and elemental identification were done by SEM with EDX analysis.

  4. Structural and biochemical analyses of the DEAD-box ATPase Sub2 in association with THO or Yra1

    Science.gov (United States)

    Ren, Yi; Schmiege, Philip; Blobel, Günter

    2017-01-01

    mRNA is cotranscrptionally processed and packaged into messenger ribonucleoprotein particles (mRNPs) in the nucleus. Prior to export through the nuclear pore, mRNPs undergo several obligatory remodeling reactions. In yeast, one of these reactions involves loading of the mRNA-binding protein Yra1 by the DEAD-box ATPase Sub2 as assisted by the hetero-pentameric THO complex. To obtain molecular insights into reaction mechanisms, we determined crystal structures of two relevant complexes: a THO hetero-pentamer bound to Sub2 at 6.0 Å resolution; and Sub2 associated with an ATP analogue, RNA, and a C-terminal fragment of Yra1 (Yra1-C) at 2.6 Å resolution. We found that the 25 nm long THO clamps Sub2 in a half-open configuration; in contrast, when bound to the ATP analogue, RNA and Yra1-C, Sub2 assumes a closed conformation. Both THO and Yra1-C stimulated Sub2’s intrinsic ATPase activity. We propose that THO surveys common landmarks in each nuclear mRNP to localize Sub2 for targeted loading of Yra1. DOI: http://dx.doi.org/10.7554/eLife.20070.001 PMID:28059701

  5. Solid-state 13C and 1H spin diffusion NMR analyses of the microfibril structure for bacterial cellulose.

    Science.gov (United States)

    Masuda, Kenji; Adachi, Masayuki; Hirai, Asako; Yamamoto, Hiroyuki; Kaji, Hironori; Horii, Fumitaka

    2003-06-01

    To obtain further information about the cause for the rather large splitting of the C4 resonance line into the downfield (C4D) and upfield (C4U) lines in CP/MAS 13C NMR spectra for native cellulose, 13C and 1H spin diffusion measurements have been conducted by using different types of bacterial cellulose samples. In 13C spin diffusion measurements, the C4D resonance line is selectively inverted by the Dante pi pulse sequence and the 13C spin diffusion is allowed to proceed from the C4D carbons to other carbons including the C4U carbons with use of the 13C4-enriched bacterial cellulose sample. The analysis based on the simple spin diffusion theory for the process experimentally observed reveals that the C4U carbons may be located at distances less than about 1 nm from the C4D carbons. In 1H spin diffusion measurements, poly(vinyl alcohol) (PVA) films in which ribbon assemblies of bacterial cellulose are dispersed are employed and the 1H spin diffusion process is examined from the water-swollen PVA continuous phase to the dispersed ribbon assemblies by the 13C detection through the 1H-13C CP technique. As a result, it is found that the C4D and C4U carbons are almost equally subjected to the 1H spin diffusion from the PVA phase, indicating that the C4U carbons are not localized in some limited area, e.g. in the surfacial region, but are distributed in the whole area in the microfibrils. These experimental results suggest that the C4U carbons may exist as structural defects probably due to conformational irregularity associated with disordered hydrogen bonding of the CH(2)OH groups in the microfibrils.

  6. Development of an icosahedral quasicrystal and two approximants in the Ca-Au-Sn system: syntheses and structural analyses.

    Science.gov (United States)

    Lin, Qisheng; Corbett, John D

    2010-11-15

    The realm of Tsai-type (YCd(6)-type) quasicrystals (QCs) and their approximants (ACs) continues to expand to the east in the periodic table. The heavy tetrel Sn is now one of the major components in the new Ca(15.0(5))Au(60.0(4))Sn(25.0(2)) (atom %) icosahedral QC and in the corresponding 1/1 and 2/1 ACs. (The 2/1 AC with Yb is also established.) Single-crystal X-ray diffraction on a 1/1 AC gives the refined formula of Ca(3)Au(14.36(3))Sn(4.38(5)) in space group Im3, a = 15.131(1) Å, whereas a representative 2/1 AC gives Ca(13)Au(47.2(1))Sn(28.1(1)), Pa3 and a = 24.444(1) Å. Both ACs contain five-shell multiply endohedral triacontahedral clusters as the common building blocks, as in the parent structure of YCd(6). The 2/1 AC also contains four Ca(2)-dimer-centered prolate rhombohedra (PRs) in the unit cell. The long-range order between triacontahedra and PRs in the 2/1 AC is the same as those in Bergman-type 2/1 ACs. A TB-LMTO-ASA calculation on an ideal 1/1 AC model reveals a shallow pseudogap in the total densities-of-states data around the Fermi energy, as expected. The depth of the pseudogap is considerably enhanced through interactions between the Ca 3d states and s and p states of Au and Sn.

  7. Impact of Forest Harvesting on Trophic Structure of Eastern Canadian Boreal Shield Lakes: Insights from Stable Isotope Analyses

    Science.gov (United States)

    Glaz, Patricia; Sirois, Pascal; Archambault, Philippe; Nozais, Christian

    2014-01-01

    Perturbations on ecosystems can have profound immediate effects and can, accordingly, greatly alter the natural community. Land-use such as forestry activities in the Canadian Boreal region have increased in the last decades, raising concerns about their potential impact on aquatic ecosystems. The objective of this study was to evaluate the impact of forest harvesting on trophic structure in eastern Canadian Boreal Shield lakes. We measured carbon and nitrogen stable isotopes values for aquatic primary producers, terrestrial detritus, benthic macroinvertebrates, zooplankton and brook trout (Salvelinus fontinalis) over a three-year period in eight eastern Boreal Shield lakes. Four lakes were studied before, one and two years after forest harvesting (perturbed lakes) and compared with four undisturbed reference lakes (unperturbed lakes) sampled at the same time. Stable isotope mixing models showed leaf-litter to be the main food source for benthic primary consumers in both perturbed and unperturbed lakes, suggesting no logging impact on allochthonous subsidies to the littoral food web. Brook trout derived their food mainly from benthic predatory macroinvertebrates in unperturbed lakes. However, in perturbed lakes one year after harvesting, zooplankton appeared to be the main contributor to brook trout diet. This change in brook trout diet was mitigated two years after harvesting. Size-related diet shift were also observed for brook trout, indicating a diet shift related to size. Our study suggests that carbon from terrestrial habitat may be a significant contribution to the food web of oligotrophic Canadian Boreal Shield lakes. Forest harvesting did not have an impact on the diet of benthic primary consumers. On the other hand, brook trout diet composition was affected by logging with greater zooplankton contribution in perturbed lakes, possibly induced by darker-colored environment in these lakes one year after logging. PMID:24763366

  8. The unique architecture and function of cellulose-interacting proteins in oomycetes revealed by genomic and structural analyses

    Directory of Open Access Journals (Sweden)

    Larroque Mathieu

    2012-11-01

    Full Text Available Abstract Background Oomycetes are fungal-like microorganisms evolutionary distinct from true fungi, belonging to the Stramenopile lineage and comprising major plant pathogens. Both oomycetes and fungi express proteins able to interact with cellulose, a major component of plant and oomycete cell walls, through the presence of carbohydrate-binding module belonging to the family 1 (CBM1. Fungal CBM1-containing proteins were implicated in cellulose degradation whereas in oomycetes, the Cellulose Binding Elicitor Lectin (CBEL, a well-characterized CBM1-protein from Phytophthora parasitica, was implicated in cell wall integrity, adhesion to cellulosic substrates and induction of plant immunity. Results To extend our knowledge on CBM1-containing proteins in oomycetes, we have conducted a comprehensive analysis on 60 fungi and 7 oomycetes genomes leading to the identification of 518 CBM1-containing proteins. In plant-interacting microorganisms, the larger number of CBM1-protein coding genes is expressed by necrotroph and hemibiotrophic pathogens, whereas a strong reduction of these genes is observed in symbionts and biotrophs. In fungi, more than 70% of CBM1-containing proteins correspond to enzymatic proteins in which CBM1 is associated with a catalytic unit involved in cellulose degradation. In oomycetes more than 90% of proteins are similar to CBEL in which CBM1 is associated with a non-catalytic PAN/Apple domain, known to interact with specific carbohydrates or proteins. Distinct Stramenopile genomes like diatoms and brown algae are devoid of CBM1 coding genes. A CBM1-PAN/Apple association 3D structural modeling was built allowing the identification of amino acid residues interacting with cellulose and suggesting the putative interaction of the PAN/Apple domain with another type of glucan. By Surface Plasmon Resonance experiments, we showed that CBEL binds to glycoproteins through galactose or N-acetyl-galactosamine motifs. Conclusions This study

  9. Molecular interactions investigated with DFT calculations of QTAIM and NBO analyses: An application to dimeric structures of rice α-amylase/subtilisin inhibitor

    Science.gov (United States)

    Astani, Elahe K.; Hadipour, Nasser L.; Chen, Chun-Jung

    2017-03-01

    Characterization of the dimer interactions at the dimeric interface of the crystal structure of rice α-amylase/subtilisin inhibitor (RASI) were performed using the quantum theory of atoms in molecules (QTAIM) and natural bonding orbital (NBO) analyses at the density-functional theory (DFT) level. The results revealed that Gly27 and Arg151 of chain A are the main residues involved in hydrogen bonds, dipole-dipole, and charge-dipole interactions with Gly64, Ala66, Ala67 and Arg81 of chain B at the dimeric interface. Calcium ion of chain A plays the significant role in the stability of the dimeric structure through a strong charge-charge interaction with Ala66.

  10. Structure-Function Analyses of the Interactions between Rab11 and Rab14 Small GTPases with Their Shared Effector Rab Coupling Protein (RCP).

    Science.gov (United States)

    Lall, Patrick; Lindsay, Andrew J; Hanscom, Sara; Kecman, Tea; Taglauer, Elizabeth S; McVeigh, Una M; Franklin, Edward; McCaffrey, Mary W; Khan, Amir R

    2015-07-24

    Rab GTPases recruit effector proteins, via their GTP-dependent switch regions, to distinct subcellular compartments. Rab11 and Rab25 are closely related small GTPases that bind to common effectors termed the Rab11 family of interacting proteins (FIPs). The FIPs are organized into two subclasses (class I and class II) based on sequence and domain organization, and both subclasses contain a highly conserved Rab-binding domain at their C termini. Yeast two-hybrid and biochemical studies have revealed that the more distantly related Rab14 also interacts with class I FIPs. Here, we perform detailed structural, thermodynamic, and cellular analyses of the interactions between Rab14 and one of the class I FIPs, the Rab-coupling protein (RCP), to clarify the molecular aspects of the interaction. We find that Rab14 indeed binds to RCP, albeit with reduced affinity relative to conventional Rab11-FIP and Rab25-FIP complexes. However, in vivo, Rab11 recruits RCP onto biological membranes. Furthermore, biophysical analyses reveal a noncanonical 1:2 stoichiometry between Rab14-RCP in dilute solutions, in contrast to Rab11/25 complexes. The structure of Rab14-RCP reveals that Rab14 interacts with the canonical Rab-binding domain and also provides insight into the unusual properties of the complex. Finally, we show that both the Rab coupling protein and Rab14 function in neuritogenesis.

  11. Disentangling the directions of associations between structural social capital and mental health: Longitudinal analyses of gender, civic engagement and depressive symptoms.

    Science.gov (United States)

    Landstedt, Evelina; Almquist, Ylva B; Eriksson, Malin; Hammarström, Anne

    2016-08-01

    The present paper analysed the directions of associations between individual-level structural social capital, in the form of civic engagement, and depressive symptoms across time from age 16-42 years in Swedish men and women. More specifically, we asked whether civic engagement was related to changes in depressive symptoms, if it was the other way around, or whether the association was bi-directional. This longitudinal study used data from a 26-year prospective cohort material of 1001 individuals in Northern Sweden (482 women and 519 men). Civic engagement was measured by a single-item question reflecting the level of engagement in clubs/organisations. Depressive symptoms were assessed by a composite index. Directions of associations were analysed by means of gender-separate cross-lagged structural equation models. Models were adjusted for parental social class, parental unemployment, parental health, and family type at baseline (age 16). Levels of both civic engagement and depressive symptoms were relatively stable across time. The model with the best fit to data showed that, in men, youth civic engagement was negatively associated with depressive symptoms in adulthood, thus supporting the hypothesis that involvement in social networks promotes health, most likely through provision of social and psychological support, perceived influence, and sense of belonging. Accordingly, interventions to promote civic engagement in young men could be a way to prevent poor mental health for men later on in life. No cross-lagged effects were found among women. We discuss this gender difference in terms of gendered experiences of civic engagement which in turn generate different meanings and consequences for men and women, such as civic engagement not being as positive for women's mental health as for that of men. We conclude that theories on structural social capital and interventions to facilitate civic engagement for health promoting purposes need to acknowledge gendered life

  12. Computational replication of the patient-specific stenting procedure for coronary artery bifurcations: From OCT and CT imaging to structural and hemodynamics analyses.

    Science.gov (United States)

    Chiastra, Claudio; Wu, Wei; Dickerhoff, Benjamin; Aleiou, Ali; Dubini, Gabriele; Otake, Hiromasa; Migliavacca, Francesco; LaDisa, John F

    2016-07-26

    The optimal stenting technique for coronary artery bifurcations is still debated. With additional advances computational simulations can soon be used to compare stent designs or strategies based on verified structural and hemodynamics results in order to identify the optimal solution for each individual's anatomy. In this study, patient-specific simulations of stent deployment were performed for 2 cases to replicate the complete procedure conducted by interventional cardiologists. Subsequent computational fluid dynamics (CFD) analyses were conducted to quantify hemodynamic quantities linked to restenosis. Patient-specific pre-operative models of coronary bifurcations were reconstructed from CT angiography and optical coherence tomography (OCT). Plaque location and composition were estimated from OCT and assigned to models, and structural simulations were performed in Abaqus. Artery geometries after virtual stent expansion of Xience Prime or Nobori stents created in SolidWorks were compared to post-operative geometry from OCT and CT before being extracted and used for CFD simulations in SimVascular. Inflow boundary conditions based on body surface area, and downstream vascular resistances and capacitances were applied at branches to mimic physiology. Artery geometries obtained after virtual expansion were in good agreement with those reconstructed from patient images. Quantitative comparison of the distance between reconstructed and post-stent geometries revealed a maximum difference in area of 20.4%. Adverse indices of wall shear stress were more pronounced for thicker Nobori stents in both patients. These findings verify structural analyses of stent expansion, introduce a workflow to combine software packages for solid and fluid mechanics analysis, and underscore important stent design features from prior idealized studies. The proposed approach may ultimately be useful in determining an optimal choice of stent and position for each patient.

  13. Fluid-structure interaction in tube bundles: homogenization methods, physical analysis; Interaction fluide structure pour des faisceaux de tubes: methodes d'homogeneisation, analyse physique

    Energy Technology Data Exchange (ETDEWEB)

    Broc, D. [CEA Saclay, Dept. Modelisation de Systemes et Structures, DEN/DM2S/SEMT/EMSI, 91 - Gif sur Yvette (France); Sigrist, J.F. [DCNS Propulsion, Service Technique et Scientifique, 44 - La Montagne (France)

    2009-03-15

    It is well known that the movements of a structure may be strongly influenced by fluid. This topic, called 'Fluid Structure Interaction' is important in many industrial applications. Tube bundles immersed in fluid are found in many cases, especially in nuclear industry: (core reactors, steam generators,...). The fluid leads to 'inertial effects' (with a decrease of the vibration frequencies) and 'dissipative effects' (with higher damping). The paper first presents the methods used for the simulation of the dynamic behaviour of tube bundles immersed in a fluid, with industrial examples. The methods used are based on the Euler equations for the fluid (perfect fluid), which allow to take into account the inertial effects. It is possible to take into account dissipative effects also, by using a Rayleigh damping. The conclusion focuses on improvements of the methods, in order to take into account with more accuracy the influence of the fluid, mainly the dissipative effects, which may be very important, especially in the case of a global fluid flow. (authors)

  14. A Moving Coordinate Numerical Method for Analyses of Electromagneto-Mechanical Coupled Behavior of Structures in a Strong Magnetic Field Aiming at Application to Tokamak Structures

    Science.gov (United States)

    Li, Weixin; Yuan, Zhensheng; Chen, Zhenmao

    2014-12-01

    Analysis of the electromagneto-mechanical coupling effect contributes greatly to the high accuracy estimation of the EM load of many EM devices, such as a tokamak structure during plasma disruption. This paper presents a method for the numerical analysis of the electromagneto-mechanical coupling effect on the basis of Maxwell's equations in the Lagrangian description and staggered load transfer scheme, which can treat the coupled behaviors of magnetic damping and magnetic stiffness effects at the same time. Codes were developed based on the ANSYS development platform and were applied to solve two typical numerical examples: the TEAM Problem 16 and dynamic behavior analysis of a shallow arch under electromagnetic force. The good consistency of numerical results and experimental data demonstrates the validity and accuracy of the proposed method and the related numerical codes.

  15. Genes for the Major Structural Components of Thermotogales Species' Togas Revealed by Proteomic and Evolutionary Analyses of OmpA and OmpB Homologs

    Energy Technology Data Exchange (ETDEWEB)

    Petrus, Amanda K. [Univ. of Connecticut, Storrs, CT (United States); Swithers, Kristen S. [Univ. of Connecticut, Storrs, CT (United States); Ranjit, Chaman R. [Univ. of Connecticut, Storrs, CT (United States); Wu, Si [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Brewer, Heather M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gogarten, J. Peter [Univ. of Connecticut, Storrs, CT (United States); Pasa-Tolic, Ljiljana [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Noll, Kenneth M. [Univ. of Connecticut, Storrs, CT (United States)

    2012-06-29

    The unifying structural characteristic of members of the bacterial order Thermotogales is an unusual cell envelope that includes a loose-fitting sheath around each cell, often called a toga. Only two toga-associated structural proteins have been identified in Thermotoga maritima: the anchor protein OmpA1 (previously termed Ompα) and the porin OmpB (previously termed Ompβ). The gene encoding OmpA (ompA1) was assigned in the genome sequence to TM0477, but because no peptide sequence was available for OmpB, its gene (ompB) was not annotated. Here we identify the ompB gene as TM0476, determined by LC/MS/MS analysis of the native OmpB protein purified from T. maritima cells. The purified OmpB had β-sheet secondary structure as determined by circular dichroism. Analysis of the sequence of ompB product shows it has porin characteristics including a carboxy terminus anchoring motif and a porin-specific amino acid composition. Orthologs of ompB were found in the genomes of some, but not all, Thermotogales. Those without orthologs have putative analogs. Phylogenetic analyses of OmpA1 revealed that each species of the Thermotogales has one to three OmpA homologs. T. maritima has two OmpA homologs, encoded by ompA1(TM0477) and ompA2 (TM1729), both of which were found in the toga protein-enriched cell extracts. These annotations of the genes encoding toga structural proteins will guide future examinations of the structure and function of this unusual lineage-defining cell sheath.

  16. Spatial genetic analyses reveal cryptic population structure and migration patterns in a continuously harvested grey wolf (Canis lupus population in north-eastern Europe.

    Directory of Open Access Journals (Sweden)

    Maris Hindrikson

    Full Text Available Spatial genetics is a relatively new field in wildlife and conservation biology that is becoming an essential tool for unravelling the complexities of animal population processes, and for designing effective strategies for conservation and management. Conceptual and methodological developments in this field are therefore critical. Here we present two novel methodological approaches that further the analytical possibilities of STRUCTURE and DResD. Using these approaches we analyse structure and migrations in a grey wolf (Canislupus population in north-eastern Europe. We genotyped 16 microsatellite loci in 166 individuals sampled from the wolf population in Estonia and Latvia that has been under strong and continuous hunting pressure for decades. Our analysis demonstrated that this relatively small wolf population is represented by four genetic groups. We also used a novel methodological approach that uses linear interpolation to statistically test the spatial separation of genetic groups. The new method, which is capable of using program STRUCTURE output, can be applied widely in population genetics to reveal both core areas and areas of low significance for genetic groups. We also used a recently developed spatially explicit individual-based method DResD, and applied it for the first time to microsatellite data, revealing a migration corridor and barriers, and several contact zones.

  17. Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs.

    Science.gov (United States)

    Timmins, Joanna; Gordon, Elspeth; Caria, Sofia; Leonard, Gordon; Acajjaoui, Samira; Kuo, Mei-Shiue; Monchois, Vincent; McSweeney, Sean

    2009-04-15

    UvrA proteins are key actors in DNA damage repair and play an essential role in prokaryotic nucleotide excision repair (NER), a pathway that is unique in its ability to remove a broad spectrum of DNA lesions. Understanding the DNA binding and damage recognition activities of the UvrA family is a critical component for establishing the molecular basis of this process. Here we report the structure of the class II UvrA2 from Deinococcus radiodurans in two crystal forms. These structures, coupled with mutational analyses and comparison with the crystal structure of class I UvrA from Bacillus stearothermophilus, suggest a previously unsuspected role for the identified insertion domains of UvrAs in both DNA binding and damage recognition. Taken together, the available information suggests a model for how UvrA interacts with DNA and thus sheds new light on the molecular mechanisms underlying the role of UvrA in the early steps of NER.

  18. Investigation of the factor structure of the Wechsler Adult Intelligence Scale--Fourth Edition (WAIS-IV): exploratory and higher order factor analyses.

    Science.gov (United States)

    Canivez, Gary L; Watkins, Marley W

    2010-12-01

    The present study examined the factor structure of the Wechsler Adult Intelligence Scale--Fourth Edition (WAIS-IV; D. Wechsler, 2008a) standardization sample using exploratory factor analysis, multiple factor extraction criteria, and higher order exploratory factor analysis (J. Schmid & J. M. Leiman, 1957) not included in the WAIS-IV Technical and Interpretation Manual (D. Wechsler, 2008b). Results indicated that the WAIS-IV subtests were properly associated with the theoretically proposed first-order factors, but all but one factor-extraction criterion recommended extraction of one or two factors. Hierarchical exploratory analyses with the Schmid and Leiman procedure found that the second-order g factor accounted for large portions of total and common variance, whereas the four first-order factors accounted for small portions of total and common variance. It was concluded that the WAIS-IV provides strong measurement of general intelligence, and clinical interpretation should be primarily at that level.

  19. Matrix metalloproteinase-10/TIMP-2 structure and analyses define conserved core interactions and diverse exosite interactions in MMP/TIMP complexes.

    Science.gov (United States)

    Batra, Jyotica; Soares, Alexei S; Mehner, Christine; Radisky, Evette S

    2013-01-01

    Matrix metalloproteinases (MMPs) play central roles in vertebrate tissue development, remodeling, and repair. The endogenous tissue inhibitors of metalloproteinases (TIMPs) regulate proteolytic activity by binding tightly to the MMP active site. While each of the four TIMPs can inhibit most MMPs, binding data reveal tremendous heterogeneity in affinities of different TIMP/MMP pairs, and the structural features that differentiate stronger from weaker complexes are poorly understood. Here we report the crystal structure of the comparatively weakly bound human MMP-10/TIMP-2 complex at 2.1 Å resolution. Comparison with previously reported structures of MMP-3/TIMP-1, MT1-MMP/TIMP-2, MMP-13/TIMP-2, and MMP-10/TIMP-1 complexes offers insights into the structural basis of binding selectivity. Our analyses identify a group of highly conserved contacts at the heart of MMP/TIMP complexes that define the conserved mechanism of inhibition, as well as a second category of diverse adventitious contacts at the periphery of the interfaces. The AB loop of the TIMP N-terminal domain and the contact loops of the TIMP C-terminal domain form highly variable peripheral contacts that can be considered as separate exosite interactions. In some complexes these exosite contacts are extensive, while in other complexes the AB loop or C-terminal domain contacts are greatly reduced and appear to contribute little to complex stability. Our data suggest that exosite interactions can enhance MMP/TIMP binding, although in the relatively weakly bound MMP-10/TIMP-2 complex they are not well optimized to do so. Formation of highly variable exosite interactions may provide a general mechanism by which TIMPs are fine-tuned for distinct regulatory roles in biology.

  20. Grid integration of electric-powered vehicles in existing and future energy supply structures. Advances in systems analyses 1. Final report; Netzintegration von Fahrzeugen mit elektrifizierten Antriebssystemen in bestehende und zukuenftige Energieversorgungsstrukturen. Advances in System Analyses 1. Endbericht

    Energy Technology Data Exchange (ETDEWEB)

    Linssen, Jochen; Bickert, Stefan; Hennings, Wilfried [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Energie- und Klimaforschung, Systemforschung und Technologische Entwicklung (IEK-STE)] [and others

    2012-07-01

    The research project examines whether a fleet of vehicles with electric propulsion system (xEV) can be integrated into existing and future energy supply systems for effective integration of fluctuating power production as well as for energy storage. A multi-sectoral, system-wide scenario analysis is performed to evaluate the grid integration of electric vehicles. The effect of an xEV fleet and the impacts of various battery charging scenarios, including the option of feeding power back into the grid, are addressed by detailed technical and economic models and summarized by an energy system model. The suitability of different powertrain concepts is analysed, giving consideration to their individual applications by users. Based on the results of a German nationwide survey of mobility patterns and analyses of 47 test subjects, individual driving profiles for private cars are drawn up and stored in a database. They are used as input for the vehicle energy model. This model calculates the energy requirements of different xEV concepts and facilitates optimized powertrain design and battery sizing for the respective applications. The results show that if the batteries are charged overnight it is possible to cover a major fraction of daily driving distances by electric power. Additional charging during the day does not significantly improve this fraction. The auxiliaries have a greater influence on the vehicle's energy demand than individual driving patterns. Battery lifetime is extended by recharging the battery as required and preferably as late as possible before the next trip. In most cases, using the batteries for grid services reduces battery lifetime and leads to higher specific costs. Models of the transmission grid and typical distribution grids are developed. It is shown that charging one million xEV in 2020 and six million in 2030 (as envisaged by the German Federal Government) is technically feasible without major structural modifications of the

  1. Grid integration of electric-powered vehicles in existing and future energy supply structures. Advances in systems analyses 1. Final report; Netzintegration von Fahrzeugen mit elektrifizierten Antriebssystemen in bestehende und zukuenftige Energieversorgungsstrukturen. Advances in System Analyses 1. Endbericht

    Energy Technology Data Exchange (ETDEWEB)

    Linssen, Jochen; Bickert, Stefan; Hennings, Wilfried [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Energie- und Klimaforschung, Systemforschung und Technologische Entwicklung (IEK-STE)] [and others

    2012-07-01

    The research project examines whether a fleet of vehicles with electric propulsion system (xEV) can be integrated into existing and future energy supply systems for effective integration of fluctuating power production as well as for energy storage. A multi-sectoral, system-wide scenario analysis is performed to evaluate the grid integration of electric vehicles. The effect of an xEV fleet and the impacts of various battery charging scenarios, including the option of feeding power back into the grid, are addressed by detailed technical and economic models and summarized by an energy system model. The suitability of different powertrain concepts is analysed, giving consideration to their individual applications by users. Based on the results of a German nationwide survey of mobility patterns and analyses of 47 test subjects, individual driving profiles for private cars are drawn up and stored in a database. They are used as input for the vehicle energy model. This model calculates the energy requirements of different xEV concepts and facilitates optimized powertrain design and battery sizing for the respective applications. The results show that if the batteries are charged overnight it is possible to cover a major fraction of daily driving distances by electric power. Additional charging during the day does not significantly improve this fraction. The auxiliaries have a greater influence on the vehicle's energy demand than individual driving patterns. Battery lifetime is extended by recharging the battery as required and preferably as late as possible before the next trip. In most cases, using the batteries for grid services reduces battery lifetime and leads to higher specific costs. Models of the transmission grid and typical distribution grids are developed. It is shown that charging one million xEV in 2020 and six million in 2030 (as envisaged by the German Federal Government) is technically feasible without major structural modifications of the

  2. Preparation,Crystal Structure and Thermal Analyses of a Nitrogen-rich Coordination Compound [Co(DAT)6](PA)2·4H2O

    Institute of Scientific and Technical Information of China (English)

    CUI Yan; ZHANG Jian-Guo; ZHANG Tong-Lai; YANG Li; ZANG Yan; SHU Yuan-Jie

    2008-01-01

    A new coordination compound [Co(DAT)6](PA)2·4H2O has been prepared by using 1,5-diaminotetrazole(DAT)as ligands and picrate(PA)as acidic anions,and structurally characterized by X-ray single crystal diffraction,ele-mental analysis and FT-IR spectroscopy.The cobalt(Ⅱ)cation coordinates with six N atoms from six bulky DAT molecules to form a six-coordinated and slightly distorted octahedral configuration.The coordination cation is situ-ated between two PA anions whose benzene-ring planes are parallel to each other.The coordination cation and the lecular units are linked together by the intermolecular hydrogen bonds to form the crystal structure,in the formation investigated by using DSC,TG-DTG and FT-IR analyses.The kinetic parameters of the first exothermic process of the title compound were studied by applying the Kissinger's and Ozawa-Doyle's methods.

  3. Nuclear medical inpatient treatment in Germany. Analysis of the structured quality reports 2004 to 2008; Stationaere nuklearmedizinische Therapie in Deutschland. Analyse der strukturierten Qualitaetsberichte 2004 bis 2008

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, R.; Reiners, C. [Universitaetsklinikum Wuerzburg (Germany). Klinik und Poliklinik fuer Nuklearmedizin; Dietlein, M. [Koeln Univ. (Germany). Klinik und Poliklinik fuer Nuklearmedizin

    2010-07-01

    All public licensed hospitals of Germany are obligated since 2004 to establish and to publish a structured biennial quality report. The aim of this study was to analyse the quality reports from 2008 of clinics with nuclear-medicine therapy ward and to investigate developments for the inpatient nuclear-medicine therapy by comparing the results with the quality reports of the years 2004 and 2006. Methods: All available structured quality reports of clinics with a nuclear-medicine therapy ward of the years 2004, 2006 and 2008 were evaluated. Results: The total number of inpatient treatment cases in 2008 amounted to 54 190 (2006: 54 884; 2004: 57 366). This corresponds to a decrease of 5.5% in comparison to 2004. The number of the therapy wards decreased at the same time to currently 117 (2006: 120; 2004: 124). Remarkable changes were found in the spectrum of the main diagnosis. Thus, the most frequent diagnosis with the ICD-code E05 (hyperthyroidism) decreased continuously from 37 747 treatments in 2004 and 34 764 in 2006 to 31 756 in the year 2008. In contrast, the ICD-diagnoses for thyroid cancer (C73, Z08) with 14 761 cases in 2008 increased with time (2006: 13 426; 2004: 12 581). Conclusions: In analogy to the observations from Europe after introduction of an iodine prophylaxis the improved iodine supply in Germany has led to a decline of the radioiodine therapy due to hyperthyroidism.

  4. Detecting molecular features of spectra mainly associated with structural and non-structural carbohydrates in co-products from bioEthanol production using DRIFT with uni- and multivariate molecular spectral analyses.

    Science.gov (United States)

    Yu, Peiqiang; Damiran, Daalkhaijav; Azarfar, Arash; Niu, Zhiyuan

    2011-01-01

    The objective of this study was to use DRIFT spectroscopy with uni- and multivariate molecular spectral analyses as a novel approach to detect molecular features of spectra mainly associated with carbohydrate in the co-products (wheat DDGS, corn DDGS, blend DDGS) from bioethanol processing in comparison with original feedstock (wheat (Triticum), corn (Zea mays)). The carbohydrates related molecular spectral bands included: A_Cell (structural carbohydrates, peaks area region and baseline: ca. 1485-1188 cm(-1)), A_1240 (structural carbohydrates, peak area centered at ca. 1240 cm(-1) with region and baseline: ca. 1292-1198 cm(-1)), A_CHO (total carbohydrates, peaks region and baseline: ca. 1187-950 cm(-1)), A_928 (non-structural carbohydrates, peak area centered at ca. 928 cm(-1) with region and baseline: ca. 952-910 cm(-1)), A_860 (non-structural carbohydrates, peak area centered at ca. 860 cm(-1) with region and baseline: ca. 880-827 cm(-1)), H_1415 (structural carbohydrate, peak height centered at ca. 1415 cm(-1) with baseline: ca. 1485-1188 cm(-1)), H_1370 (structural carbohydrate, peak height at ca. 1370 cm(-1) with a baseline: ca. 1485-1188 cm(-1)). The study shows that the grains had lower spectral intensity (KM Unit) of the cellulosic compounds of A_1240 (8.5 vs. 36.6, P carbohydrate of A_928 (17.3 vs. 2.0) and A_860 (20.7 vs. 7.6) than their co-products from bioethanol processing. There were no differences (P > 0.05) in the peak area intensities of A_Cell (structural CHO) at 1292-1198 cm(-1) and A_CHO (total CHO) at 1187-950 cm(-1) with average molecular infrared intensity KM unit of 226.8 and 508.1, respectively. There were no differences (P > 0.05) in the peak height intensities of H_1415 and H_1370 (structural CHOs) with average intensities 1.35 and 1.15, respectively. The multivariate molecular spectral analyses were able to discriminate and classify between the corn and corn DDGS molecular spectra, but not wheat and wheat DDGS. This study indicated that

  5. Genes for the major structural components of Thermotogales species' togas revealed by proteomic and evolutionary analyses of OmpA and OmpB homologs.

    Directory of Open Access Journals (Sweden)

    Amanda K Petrus

    Full Text Available The unifying structural characteristic of members of the bacterial order Thermotogales is their toga, an unusual cell envelope that includes a loose-fitting sheath around each cell. Only two toga-associated structural proteins have been purified and characterized in Thermotoga maritima: the anchor protein OmpA1 (or Ompα and the porin OmpB (or Ompβ. The gene encoding OmpA1 (ompA1 was cloned and sequenced and later assigned to TM0477 in the genome sequence, but because no peptide sequence was available for OmpB, its gene (ompB was not annotated. We identified six porin candidates in the genome sequence of T. maritima. Of these candidates, only one, encoded by TM0476, has all the characteristics reported for OmpB and characteristics expected of a porin including predominant β-sheet structure, a carboxy terminus porin anchoring motif, and a porin-specific amino acid composition. We highly enriched a toga fraction of cells for OmpB by sucrose gradient centrifugation and hydroxyapatite chromatography and analyzed it by LC/MS/MS. We found that the only porin candidate that it contained was the TM0476 product. This cell fraction also had β-sheet character as determined by circular dichroism, consistent with its enrichment for OmpB. We conclude that TM0476 encodes OmpB. A phylogenetic analysis of OmpB found orthologs encoded in syntenic locations in the genomes of all but two Thermotogales species. Those without orthologs have putative isofunctional genes in their place. Phylogenetic analyses of OmpA1 revealed that each species of the Thermotogales has one or two OmpA homologs. T. maritima has two OmpA homologs, encoded by ompA1 (TM0477 and ompA2 (TM1729, both of which were found in the toga protein-enriched cell extracts. These annotations of the genes encoding toga structural proteins will guide future examinations of the structure and function of this unusual lineage-defining cell sheath.

  6. Genes for the Major Structural Components of Thermotogales Species’ Togas Revealed by Proteomic and Evolutionary Analyses of OmpA and OmpB Homologs

    Energy Technology Data Exchange (ETDEWEB)

    Petrus, Amanda K.; Swithers, Kristen S.; Ranjit, Chaman R.; Wu, Si; Brewer, Heather M.; Gogarten, J Peter; Pasa-Tolic, Ljiljana; Noll, Kenneth M.

    2012-06-29

    The unifying structural characteristic of members of the bacterial order Thermotogales is their toga, an unusual cell envelope that includes a loose-fitting sheath around each cell. Only two toga-associated structural proteins have been purified and characterized in Thermotoga maritima: the anchor protein OmpA1 (or Ompa) and the porin OmpB (or Ompb). The gene encoding OmpA1 (ompA1) was cloned and sequenced and later assigned to TM0477 in the genome sequence, but because no peptide sequence was available for OmpB, its gene (ompB) was not annotated. We identified six porin candidates in the genome sequence of T. maritima. Of these candidates, only one, encoded by TM0476, has all the characteristics reported for OmpB and characteristics expected of a porin including predominant b-sheet structure, a carboxy terminus porin anchoring motif, and a porin-specific amino acid composition. We highly enriched a toga fraction of cells for OmpB by sucrose gradient centrifugation and hydroxyapatite chromatography and analyzed it by LC/MS/MS. We found that the only porin candidate that it contained was the TM0476 product. This cell fraction also had b-sheet character as determined by circular dichroism, consistent with its enrichment for OmpB. We conclude that TM0476 encodes OmpB. A phylogenetic analysis of OmpB found orthologs encoded in syntenic locations in the genomes of all but two Thermotogales species. Those without orthologs have putative isofunctional genes in their place. Phylogenetic analyses of OmpA1 revealed that each species of the Thermotogales has one or two OmpA homologs. T. maritima has two OmpA homologs, encoded by ompA1 (TM0477) and ompA2 (TM1729), both of which were found in the toga protein-enriched cell extracts. These annotations of the genes encoding toga structural proteins will guide future examinations of the structure and function of this unusual lineage-defining cell sheath.

  7. Genes for the Major Structural Components of Thermotogales Species’ Togas Revealed by Proteomic and Evolutionary Analyses of OmpA and OmpB Homologs

    Science.gov (United States)

    Petrus, Amanda K.; Swithers, Kristen S.; Ranjit, Chaman; Wu, Si; Brewer, Heather M.; Gogarten, J. Peter; Pasa-Tolic, Ljiljana; Noll, Kenneth M.

    2012-01-01

    The unifying structural characteristic of members of the bacterial order Thermotogales is their toga, an unusual cell envelope that includes a loose-fitting sheath around each cell. Only two toga-associated structural proteins have been purified and characterized in Thermotoga maritima: the anchor protein OmpA1 (or Ompα) and the porin OmpB (or Ompβ). The gene encoding OmpA1 (ompA1) was cloned and sequenced and later assigned to TM0477 in the genome sequence, but because no peptide sequence was available for OmpB, its gene (ompB) was not annotated. We identified six porin candidates in the genome sequence of T. maritima. Of these candidates, only one, encoded by TM0476, has all the characteristics reported for OmpB and characteristics expected of a porin including predominant β-sheet structure, a carboxy terminus porin anchoring motif, and a porin-specific amino acid composition. We highly enriched a toga fraction of cells for OmpB by sucrose gradient centrifugation and hydroxyapatite chromatography and analyzed it by LC/MS/MS. We found that the only porin candidate that it contained was the TM0476 product. This cell fraction also had β-sheet character as determined by circular dichroism, consistent with its enrichment for OmpB. We conclude that TM0476 encodes OmpB. A phylogenetic analysis of OmpB found orthologs encoded in syntenic locations in the genomes of all but two Thermotogales species. Those without orthologs have putative isofunctional genes in their place. Phylogenetic analyses of OmpA1 revealed that each species of the Thermotogales has one or two OmpA homologs. T. maritima has two OmpA homologs, encoded by ompA1 (TM0477) and ompA2 (TM1729), both of which were found in the toga protein-enriched cell extracts. These annotations of the genes encoding toga structural proteins will guide future examinations of the structure and function of this unusual lineage-defining cell sheath. PMID:22768259

  8. Phylogenomic and structural analyses of 18 complete plastomes across nearly all families of early-diverging eudicots, including an angiosperm-wide analysis of IR gene content evolution.

    Science.gov (United States)

    Sun, Yanxia; Moore, Michael J; Zhang, Shoujun; Soltis, Pamela S; Soltis, Douglas E; Zhao, Tingting; Meng, Aiping; Li, Xiaodong; Li, Jianqiang; Wang, Hengchang

    2016-03-01

    The grade of early-diverging eudicots includes five major lineages: Ranunculales, Trochodendrales, Buxales, Proteales and Sabiaceae. To examine the evolution of plastome structure in early-diverging eudicots, we determined the complete plastome sequences of eight previously unsequenced early-diverging eudicot taxa, Pachysandra terminalis (Buxaceae), Meliosma aff. cuneifolia (Sabiaceae), Sabia yunnanensis (Sabiaceae), Epimedium sagittatum (Berberidaceae), Euptelea pleiosperma (Eupteleaceae), Akebia trifoliata (Lardizabalaceae), Stephania japonica (Menispermaceae) and Papaver somniferum (Papaveraceae), and compared them to previously published plastomes of the early-diverging eudicots Buxus, Tetracentron, Trochodendron, Nelumbo, Platanus, Nandina, Megaleranthis, Ranunculus, Mahonia and Macadamia. All of the newly sequenced plastomes share the same 79 protein-coding genes, 4 rRNA genes, and 30 tRNA genes, except for that of Epimedium, in which infA is pseudogenized and clpP is highly divergent and possibly a pseudogene. The boundaries of the plastid Inverted Repeat (IR) were found to vary significantly across early-diverging eudicots; IRs ranged from 24.3 to 36.4kb in length and contained from 18 to 33 genes. Based on gene content, the IR was classified into six types, with shifts among types characterized by high levels of homoplasy. Reconstruction of ancestral IR gene content suggested that 18 genes were likely present in the IR region of the ancestor of eudicots. Maximum likelihood phylogenetic analysis of a 79-gene, 97-taxon data set that included all available early-diverging eudicots and representative sampling of remaining angiosperm diversity largely agreed with previous estimates of early-diverging eudicot relationships, but resolved Trochodendrales rather than Buxales as sister to Gunneridae, albeit with relatively weak bootstrap support, conflicting with what has been found for these three clades in most previous analyses. In addition, Proteales was

  9. Temporal Changes of Seismic Velocity of Shallow Structure Associated With the 2000 Miyakejima Volcano Activity as Inferred From Ambient Seismic Noise Correlation Analyses

    Science.gov (United States)

    Anggono, T.; Nishimura, T.; Sato, H.; Ueda, H.; Ukawa, M.

    2008-12-01

    Miyakejima Island, which is located about 170 km to the south of Tokyo, Japan, is an active volcano of basaltic magma. In 2000 volcanic activity started with magma ascent and migration northwestwardly on June 26 - 27. Then, the volcano formed a caldera on the summit in July, and large amount of volcanic gas emission continued from late August until now. We analyze the ambient seismic noise recorded at three NIED seismic stations (MKK, MKT, and MKS) in the island in order to study the volcano structure behavior associated with such significant volcanic activities. We apply cross correlation analyses to the continuous records of vertical component of short period seismometers (1 s). The data are sampled at a frequency of 100 Hz with an A/D resolution of 16-bit. We calculate cross correlation functions (CCFs) for time window of 60 s for each station pair. We stack the CCFs for each month and bandpass filter the stacked data at frequency band 0.4 - 0.8 Hz. The stacked CCFs, which may represent the Green function between two stations, at station pairs MKK - MKS (the distance is 1.8 km) and MKT - MKS (the distance is 3.9 km) show wave packets with large amplitudes at both sides (positive and negative time delays). The wave packets propagate at group velocities of about 0.8 - 1.0 km/s. The stacked CCFs for MKK - MKT (the distance is 3.1 km) is one sided (negative time delay). Such asymmetric might be due to the inhomogeneous distribution of propagation direction of ambient seismic noise, so we do not use the data for the following analyses. Comparing the CCFs obtained for periods from July 1999 to June 2000 with that of October 2002, we observe small phase difference of the main wave packet. Our results show that for station pair MKK - MKS, whose path crosses the northern part of the island, velocity increased about 1.6 % after the 2000 volcanic activity. For MKT - MKS, whose path closely crosses the newly formed caldera, we estimate the velocity decrease of about 1

  10. Genetic Structuration, Demography and Evolutionary History of Mycobacterium tuberculosis LAM9 Sublineage in the Americas as Two Distinct Subpopulations Revealed by Bayesian Analyses.

    Directory of Open Access Journals (Sweden)

    Yann Reynaud

    Full Text Available Tuberculosis (TB remains broadly present in the Americas despite intense global efforts for its control and elimination. Starting from a large dataset comprising spoligotyping (n = 21183 isolates and 12-loci MIRU-VNTRs data (n = 4022 isolates from a total of 31 countries of the Americas (data extracted from the SITVIT2 database, this study aimed to get an overview of lineages circulating in the Americas. A total of 17119 (80.8% strains belonged to the Euro-American lineage 4, among which the most predominant genotypic family belonged to the Latin American and Mediterranean (LAM lineage (n = 6386, 30.1% of strains. By combining classical phylogenetic analyses and Bayesian approaches, this study revealed for the first time a clear genetic structuration of LAM9 sublineage into two subpopulations named LAM9C1 and LAM9C2, with distinct genetic characteristics. LAM9C1 was predominant in Chile, Colombia and USA, while LAM9C2 was predominant in Brazil, Dominican Republic, Guadeloupe and French Guiana. Globally, LAM9C2 was characterized by higher allelic richness as compared to LAM9C1 isolates. Moreover, LAM9C2 sublineage appeared to expand close to twenty times more than LAM9C1 and showed older traces of expansion. Interestingly, a significant proportion of LAM9C2 isolates presented typical signature of ancestral LAM-RDRio MIRU-VNTR type (224226153321. Further studies based on Whole Genome Sequencing of LAM strains will provide the needed resolution to decipher the biogeographical structure and evolutionary history of this successful family.

  11. Determination of Genetic Structure and Signatures of Selection in Three Strains of Tanzania Shorthorn Zebu, Boran and Friesian Cattle by Genome-Wide SNP Analyses

    Science.gov (United States)

    Msalya, George; Kim, Eui-Soo; Laisser, Emmanuel L. K.; Kipanyula, Maulilio J.; Karimuribo, Esron D.; Kusiluka, Lughano J. M.; Chenyambuga, Sebastian W.; Rothschild, Max F.

    2017-01-01

    Background More than 90 percent of cattle in Tanzania belong to the indigenous Tanzania Short Horn Zebu (TSZ) population which has been classified into 12 strains based on historical evidence, morphological characteristics, and geographic distribution. However, specific genetic information of each TSZ population has been lacking and has caused difficulties in designing programs such as selection, crossbreeding, breed improvement or conservation. This study was designed to evaluate the genetic structure, assess genetic relationships, and to identify signatures of selection among cattle of Tanzania with the main goal of understanding genetic relationship, variation and uniqueness among them. Methodology/Principal findings The Illumina Bos indicus SNP 80K BeadChip was used to genotype genome wide SNPs in 168 DNA samples obtained from three strains of TSZ cattle namely Maasai, Tarime and Sukuma as well as two comparative breeds; Boran and Friesian. Population structure and signatures of selection were examined using principal component analysis (PCA), admixture analysis, pairwise distances (FST), integrated haplotype score (iHS), identical by state (IBS) and runs of homozygosity (ROH). There was a low level of inbreeding (F~0.01) in the TSZ population compared to the Boran and Friesian breeds. The analyses of FST, IBS and admixture identified no considerable differentiation between TSZ trains. Importantly, common ancestry in Boran and TSZ were revealed based on admixture and IBD, implying gene flow between two populations. In addition, Friesian ancestry was found in Boran. A few common significant iHS were detected, which may reflect influence of recent selection in each breed or strain. Conclusions Population admixture and selection signatures could be applied to develop conservation plan of TSZ cattle as well as future breeding programs in East African cattle. PMID:28129396

  12. Whole Proteome Analyses on Ruminiclostridium cellulolyticum Show a Modulation of the Cellulolysis Machinery in Response to Cellulosic Materials with Subtle Differences in Chemical and Structural Properties

    Science.gov (United States)

    Badalato, Nelly; Guillot, Alain; Sabarly, Victor; Dubois, Marc; Pourette, Nina; Pontoire, Bruno; Robert, Paul; Bridier, Arnaud; Monnet, Véronique; Sousa, Diana Z.; Durand, Sylvie; Mazéas, Laurent; Buléon, Alain; Bouchez, Théodore; Mortha, Gérard

    2017-01-01

    Lignocellulosic materials from municipal solid waste emerge as attractive resources for anaerobic digestion biorefinery. To increase the knowledge required for establishing efficient bioprocesses, dynamics of batch fermentation by the cellulolytic bacterium Ruminiclostridium cellulolyticum were compared using three cellulosic materials, paper handkerchief, cotton discs and Whatman filter paper. Fermentation of paper handkerchief occurred the fastest and resulted in a specific metabolic profile: it resulted in the lowest acetate-to-lactate and acetate-to-ethanol ratios. By shotgun proteomic analyses of paper handkerchief and Whatman paper incubations, 151 proteins with significantly different levels were detected, including 20 of the 65 cellulosomal components, 8 non-cellulosomal CAZymes and 44 distinct extracytoplasmic proteins. Consistent with the specific metabolic profile observed, many enzymes from the central carbon catabolic pathways had higher levels in paper handkerchief incubations. Among the quantified CAZymes and cellulosomal components, 10 endoglucanases mainly from the GH9 families and 7 other cellulosomal subunits had lower levels in paper handkerchief incubations. An in-depth characterization of the materials used showed that the lower levels of endoglucanases in paper handkerchief incubations could hypothetically result from its lower crystallinity index (50%) and degree of polymerization (970). By contrast, the higher hemicellulose rate in paper handkerchief (13.87%) did not result in the enhanced expression of enzyme with xylanase as primary activity, including enzymes from the “xyl-doc” cluster. It suggests the absence, in this material, of molecular structures that specifically lead to xylanase induction. The integrated approach developed in this work shows that subtle differences among cellulosic materials regarding chemical and structural characteristics have significant effects on expressed bacterial functions, in particular the

  13. Genetic Structuration, Demography and Evolutionary History of Mycobacterium tuberculosis LAM9 Sublineage in the Americas as Two Distinct Subpopulations Revealed by Bayesian Analyses.

    Science.gov (United States)

    Reynaud, Yann; Millet, Julie; Rastogi, Nalin

    2015-01-01

    Tuberculosis (TB) remains broadly present in the Americas despite intense global efforts for its control and elimination. Starting from a large dataset comprising spoligotyping (n = 21183 isolates) and 12-loci MIRU-VNTRs data (n = 4022 isolates) from a total of 31 countries of the Americas (data extracted from the SITVIT2 database), this study aimed to get an overview of lineages circulating in the Americas. A total of 17119 (80.8%) strains belonged to the Euro-American lineage 4, among which the most predominant genotypic family belonged to the Latin American and Mediterranean (LAM) lineage (n = 6386, 30.1% of strains). By combining classical phylogenetic analyses and Bayesian approaches, this study revealed for the first time a clear genetic structuration of LAM9 sublineage into two subpopulations named LAM9C1 and LAM9C2, with distinct genetic characteristics. LAM9C1 was predominant in Chile, Colombia and USA, while LAM9C2 was predominant in Brazil, Dominican Republic, Guadeloupe and French Guiana. Globally, LAM9C2 was characterized by higher allelic richness as compared to LAM9C1 isolates. Moreover, LAM9C2 sublineage appeared to expand close to twenty times more than LAM9C1 and showed older traces of expansion. Interestingly, a significant proportion of LAM9C2 isolates presented typical signature of ancestral LAM-RDRio MIRU-VNTR type (224226153321). Further studies based on Whole Genome Sequencing of LAM strains will provide the needed resolution to decipher the biogeographical structure and evolutionary history of this successful family.

  14. Electronic transport of Au/(Ca1.9Pr0.1Co4Ox)/n-Si structures analysed over a wide temperature range

    Science.gov (United States)

    Alialy, S.; Kaya, A.; Marıl, E.; Altındal, Ş.; Uslu, İ.

    2015-05-01

    The barrier height (BH) of the Au/(Ca1.9Pr0.1Co4Ox)/n-Si structure was evaluated in the temperature range of 120-360 K using current-voltage (I-V) measurements. The zero-bias BH (ΦBo) and ideality factor (n) values deduced from standard thermionic emission theory were found to be 0.35 eV and 6.30 at 120 K and 0.83 eV and 5.1 at 360 K, respectively. Because such changes in ΦBo were not in agreement with the negative temperature coefficient (α) of the Si band gap, effects of tunnelling and BH inhomogeneity were added to the analysis of junction current. With this modification, the value of ΦBef. was found to decrease with temperature at a rate of -2.4 × 10-4 eVK-1 in approximate agreement with the known α of the Si band gap. Attempts to model the inhomogeneous BH with a single Gaussian distribution were also successful, rendering a mean value of BH (?) of 0.997 eV and a standard deviation (σo) of 0.12 eV. Similar conclusions were drawn from additional analyses, employing the modified Richardson plots. Our results suggest that the analysis of electronic transport at this and possibly other MIS junctions should include both the effect of tunnelling and that of BH inhomogeneity.

  15. The Grism Lens-Amplified Survey from Space (GLASS). IX. The dual origin of low-mass cluster galaxies as revealed by new structural analyses

    CERN Document Server

    Morishita, Takahiro; Treu, Tommaso; Vulcani, Benedetta; Schmidt, Kasper B; Dressler, Alan; Poggianti, Bianca; Malkan, Matthew A; Wang, Xin; Huang, Kuang-Han; Trenti, Michele; Bradac, Marusa; Hoag, Austin

    2016-01-01

    Using deep Hubble Frontier Field imaging and slitless spectroscopy from the Grism Lens-Amplified Survey from Space, we analyze 2200 cluster and 1748 field galaxies at $0.2\\leq z\\leq0.7$ to determine the impact of environment on galaxy size and structure at $\\log M_*/M_\\odot>7.8$, an unprecedented limit at these redshifts. Based on both simple--$r_e= f(M_*)$--and more complex analyses--$r_e = f(M_*, C, n, z,\\Sigma)$--we find local density ($\\Sigma$) to induce a $7\\%\\pm3\\%$ ($95\\%$ confidence) reduction in half-light radii ($r_e$) beyond what can be accounted for by stellar mass ($M_*$), $U-V$ color ($C$), S\\'ersic index ($n$), and redshift ($z$) effects. Almost any size difference between galaxies in high- and low-density regions is thus attributable to their different distributions in properties other than environment. Yet, we do find a clear correlation between $U-V$ color and $r_{e}$ in low-mass red cluster galaxies ($\\log M_*/M_\\odot<9.8$) such that bluer systems are larger, with the bluest having sizes...

  16. Polycystic liver in the adult (PLA in Spain: analysis of a structured survey analysing the experience and attitude of gastroenterologists in Spain

    Directory of Open Access Journals (Sweden)

    Javier Ampuero

    2014-04-01

    Full Text Available Background: Polycystic liver in the adult (PLA is a rare disease characterized by chronic liver enlargement. Objective: To analyse gastroenterologists' involvement in, experience with, and attitude toward diagnosing, monitoring, and treating patients with PLA in Spain. Methods: Each of seven study coordinators contacted 15 specialists in their geographic area about participating in the study via an online structured survey. Results: Of the 105 clinics contacted, 88 completed the questionnaire, with a mean of 3 patients being followed per practice, although 6 clinics were following more than 20 patients with PLA. Patients were being followed mainly by the Department of Hepatology (81 % and/or the Department of Gastroenterology (33 %. The majority of patients were diagnosed (98 % and monitored (97 % using liver ultrasound. When diagnosed, 76 % of patients were under 50 years of age, females predominating. The primary treatment objective for the patients was symptomatic management. Pharmacotherapy was prescribed by 28 % of physicians: Somatostatin analogues, primarily, followed by mTOR inhibitors. One-third of the clinics indicated that they had patients who had undergone liver transplant and/or surgery. Conclusions: Ultrasound is the diagnosing and monitoring method of choice. Among the clinics using pharmacotherapy for symptomatic management, somatostatin analogues were the drugs of choice. These clinics' infrequent use of invasive procedures suggests that they perceive the various invasive techniques as not very effective.

  17. A novel approach to analysing the regimes of temporary streams in relation to their controls on the composition and structure of aquatic biota

    Directory of Open Access Journals (Sweden)

    F. Gallart

    2012-09-01

    Full Text Available Temporary streams are those water courses that undergo the recurrent cessation of flow or the complete drying of their channel. The structure and composition of biological communities in temporary stream reaches are strongly dependent on the temporal changes of the aquatic habitats determined by the hydrological conditions. Therefore, the structural and functional characteristics of aquatic fauna to assess the ecological quality of a temporary stream reach cannot be used without taking into account the controls imposed by the hydrological regime. This paper develops methods for analysing temporary streams' aquatic regimes, based on the definition of six aquatic states that summarize the transient sets of mesohabitats occurring on a given reach at a particular moment, depending on the hydrological conditions: Hyperrheic, Eurheic, Oligorheic, Arheic, Hyporheic and Edaphic. When the hydrological conditions lead to a change in the aquatic state, the structure and composition of the aquatic community changes according to the new set of available habitats. We used the water discharge records from gauging stations or simulations with rainfall-runoff models to infer the temporal patterns of occurrence of these states in the Aquatic States Frequency Graph we developed. The visual analysis of this graph is complemented by the development of two metrics which describe the permanence of flow and the seasonal predictability of zero flow periods. Finally, a classification of temporary streams in four aquatic regimes in terms of their influence over the development of aquatic life is updated from the existing classifications, with stream aquatic regimes defined as Permanent, Temporary-pools, Temporary-dry and Episodic. While aquatic regimes describe the long-term overall variability of the hydrological conditions of the river section and have been used for many years by hydrologists and ecologists, aquatic states describe the

  18. A novel approach to analysing the regimes of temporary streams in relation to their controls on the composition and structure of aquatic biota

    Science.gov (United States)

    Gallart, F.; Prat, N.; García-Roger, E. M.; Latron, J.; Rieradevall, M.; Llorens, P.; Barberá, G. G.; Brito, D.; De Girolamo, A. M.; Lo Porto, A.; Buffagni, A.; Erba, S.; Neves, R.; Nikolaidis, N. P.; Perrin, J. L.; Querner, E. P.; Quiñonero, J. M.; Tournoud, M. G.; Tzoraki, O.; Skoulikidis, N.; Gómez, R.; Sánchez-Montoya, M. M.; Froebrich, J.

    2012-09-01

    Temporary streams are those water courses that undergo the recurrent cessation of flow or the complete drying of their channel. The structure and composition of biological communities in temporary stream reaches are strongly dependent on the temporal changes of the aquatic habitats determined by the hydrological conditions. Therefore, the structural and functional characteristics of aquatic fauna to assess the ecological quality of a temporary stream reach cannot be used without taking into account the controls imposed by the hydrological regime. This paper develops methods for analysing temporary streams' aquatic regimes, based on the definition of six aquatic states that summarize the transient sets of mesohabitats occurring on a given reach at a particular moment, depending on the hydrological conditions: Hyperrheic, Eurheic, Oligorheic, Arheic, Hyporheic and Edaphic. When the hydrological conditions lead to a change in the aquatic state, the structure and composition of the aquatic community changes according to the new set of available habitats. We used the water discharge records from gauging stations or simulations with rainfall-runoff models to infer the temporal patterns of occurrence of these states in the Aquatic States Frequency Graph we developed. The visual analysis of this graph is complemented by the development of two metrics which describe the permanence of flow and the seasonal predictability of zero flow periods. Finally, a classification of temporary streams in four aquatic regimes in terms of their influence over the development of aquatic life is updated from the existing classifications, with stream aquatic regimes defined as Permanent, Temporary-pools, Temporary-dry and Episodic. While aquatic regimes describe the long-term overall variability of the hydrological conditions of the river section and have been used for many years by hydrologists and ecologists, aquatic states describe the availability of mesohabitats in given periods that

  19. Detecting Molecular Features of Spectra Mainly Associated with Structural and Non-Structural Carbohydrates in Co-Products from BioEthanol Production Using DRIFT with Uni- and Multivariate Molecular Spectral Analyses

    Directory of Open Access Journals (Sweden)

    Zhiyuan Niu

    2011-03-01

    Full Text Available The objective of this study was to use DRIFT spectroscopy with uni- and multivariate molecular spectral analyses as a novel approach to detect molecular features of spectra mainly associated with carbohydrate in the co-products (wheat DDGS, corn DDGS, blend DDGS from bioethanol processing in comparison with original feedstock (wheat (Triticum, corn (Zea mays. The carbohydrates related molecular spectral bands included: A_Cell (structural carbohydrates, peaks area region and baseline: ca. 1485–1188 cm−1, A_1240 (structural carbohydrates, peak area centered at ca. 1240 cm−1 with region and baseline: ca. 1292–1198 cm−1, A_CHO (total carbohydrates, peaks region and baseline: ca. 1187–950 cm-1, A_928 (non-structural carbohydrates, peak area centered at ca. 928 cm−1 with region and baseline: ca. 952–910 cm−1, A_860 (non-structural carbohydrates, peak area centered at ca. 860 cm−1 with region and baseline: ca. 880–827 cm-1, H_1415 (structural carbohydrate, peak height centered at ca. 1415 cm−1 with baseline: ca. 1485–1188 cm−1, H_1370 (structural carbohydrate, peak height at ca. 1370 cm−1 with a baseline: ca. 1485–1188 cm−1. The study shows that the grains had lower spectral intensity (KM Unit of the cellulosic compounds of A_1240 (8.5 vs. 36.6, P < 0.05, higher (P < 0.05 intensities of the non-structural carbohydrate of A_928 (17.3 vs. 2.0 and A_860 (20.7 vs. 7.6 than their co-products from bioethanol processing. There were no differences (P > 0.05 in the peak area intensities of A_Cell (structural CHO at 1292–1198 cm−1 and A_CHO (total CHO at 1187–950 cm−1 with average molecular infrared intensity KM unit of 226.8 and 508.1, respectively. There were no differences (P > 0.05 in the peak height intensities of H_1415 and H_1370 (structural CHOs with average intensities 1.35 and 1.15, respectively. The multivariate molecular spectral analyses were able to discriminate and classify between the corn and corn DDGS

  20. Cocrystals of kaempferol, quercetin and myricetin with 4,4‧-bipyridine: Crystal structures, analyses of intermolecular interactions and antibacterial properties

    Science.gov (United States)

    Zhang, Yu-Nan; Yin, He-Mei; Zhang, Yu; Zhang, Da-Jun; Su, Xin; Kuang, Hai-Xue

    2017-02-01

    With an aim to explore the interactions of Osbnd H⋯N between hydroxyl moiety of the flavonoids and the pyridyl ring of N-containing aromatic amines, three flavonols with varying B-ring-hydroxyl groups (kaempferol, quercetin, and myricetin) were selected to combine with 4,4‧-bipyridine. As a result, three new cocrystals of flavonols were obtained with a solution evaporation approach. These three cocrystals were characterized by single crystal X-ray diffraction, XPRD, IR and NMR methods. The resulting cocrystals were kaempferol: 4,4‧-bipyridine (2:1) (KAE·BPY·2H2O), quercetin: 4,4‧-bipyridine (1:1.5) (QUE·BPY), and myricetin: 4,4‧-bipyridine (1:2) (MYR·BPY·H2O). Structural analyses show that an array of hydrogen bonds and π-π stacking interactions interconnect the molecules to form a two-dimensional (2D) supramolecular layer in KAE·BPY·2H2O, QUE·BPY, and MYR·BPY·H2O. In the three cocrystals, they present as three different synthons-ⅠR88(58), Ⅳ R44(42) and, Ⅶ R66(29) with 4,4‧-bipyridine, respectively-which may yield a strategy for constructing the supramolecule. Cocrystals of flavonols combined with N-containing aromatic amines, 7-OH, B-ring-hydroxyl number and/or the location of the flavonols to play a significant part in extending the dimensionality of the cocrystals. The resulting motif formation and crystal packing in these flavonols cocrystals has combined with N-containing aromatic amines. Additionally, the antibacterial properties of the three cocrystals against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) have been investigated.

  1. Possible future HERA analyses

    CERN Document Server

    Geiser, Achim

    2015-01-01

    A variety of possible future analyses of HERA data in the context of the HERA data preservation programme is collected, motivated, and commented. The focus is placed on possible future analyses of the existing $ep$ collider data and their physics scope. Comparisons to the original scope of the HERA programme are made, and cross references to topics also covered by other participants of the workshop are given. This includes topics on QCD, proton structure, diffraction, jets, hadronic final states, heavy flavours, electroweak physics, and the application of related theory and phenomenology topics like NNLO QCD calculations, low-x related models, nonperturbative QCD aspects, and electroweak radiative corrections. Synergies with other collider programmes are also addressed. In summary, the range of physics topics which can still be uniquely covered using the existing data is very broad and of considerable physics interest, often matching the interest of results from colliders currently in operation. Due to well-e...

  2. Modern Freshwater Microbialites of Cuatro Ciénegas, Mexico. I: Metagenomic and Stable Isotopic Analyses to Assess Microbial Community Structure and Function

    Science.gov (United States)

    Breitbart, M.; Hollander, D.; Nitti, A.; van Mooy, B.; Siefert, J.; Souza, V.

    2010-04-01

    This study utilized metagenomic and stable isotopic analyses to examine the microorganisms and chemical processes leading to carbonate precipitation in the actively-accreting freshwater microbialites from Rio Mesquites in Cuatro Ciénegas, Mexico.

  3. Investigation of RC Structural Behaviour of Wall-Equivalent Dual System through Non-Linear Analyses. - Undersøkelse av den konstruksjonsmessige oppførselen til veggekvivalent dobbeltsystem i armert betong ved hjelp av ikke-lineære analyser

    OpenAIRE

    Semere, Samson Amanuel

    2016-01-01

    The purpose of this thesis is to evaluate the non-linear response of a wall-equivalent dual-system structure. The procedure of the analyses follows the guidelines incorporated in the current Norwegian seismic design code NS-EN 1998-1. The investigated structure is detailed for medium ductility in accordance to NS-EN 1998-1. A representative finite element model of the structure (2D) is created with SeismoStruct and OpenSees software packages with emphasis on capturing the non-linear behavior ...

  4. Population structure analyses and demographic history of the malaria vector Anopheles albimanus from the Caribbean and the Pacific regions of Colombia

    Directory of Open Access Journals (Sweden)

    Conn Jan E

    2009-11-01

    Full Text Available Abstract Background Anopheles albimanus is an important malaria vector in some areas throughout its distribution in the Caribbean and the Pacific regions of Colombia, covering three biogeographic zones of the neotropical region, Maracaibo, Magdalena and Chocó. Methods This study was conducted to estimate intra-population genetic diversity, genetic differentiation and demographic history of An. albimanus populations because knowledge of vector population structure is a useful tool to guide malaria control programmes. Analyses were based on mtDNA COI gene sequences and four microsatellite loci of individuals collected in eight populations from the Caribbean and the Pacific regions of Colombia. Results Two distinctive groups were consistently detected corresponding to COI haplotypes from each region. A star-shaped statistical parsimony network, significant and unimodal mismatch distribution, and significant negative neutrality tests together suggest a past demographic expansion or a selective sweep in An. albimanus from the Caribbean coast approximately 21,994 years ago during the late Pleistocene. Overall moderate to low genetic differentiation was observed between populations within each region. However, a significant level of differentiation among the populations closer to Buenaventura in the Pacific region was observed. The isolation by distance model best explained genetic differentiation among the Caribbean region localities: Los Achiotes, Santa Rosa de Lima and Moñitos, but it could not explain the genetic differentiation observed between Turbo (Magdalena providence, and the Pacific region localities (Nuquí, Buenaventura, Tumaco. The patterns of differentiation in the populations from the different biogeographic provinces could not be entirely attributed to isolation by distance. Conclusion The data provide evidence for limited past gene flow between the Caribbean and the Pacific regions, as estimated by mtDNA sequences and current gene

  5. The production phase model as a tool for analysing and structuring the database of an operation management system; Das Phasenmodell der Produktion als ein Werkzeug fuer Analyse und Strukturierung der Datenbasis eines Betriebsmanagementsystems

    Energy Technology Data Exchange (ETDEWEB)

    Rauprich, G.; Polke, B.

    1997-12-31

    This paper presents a process analysis which was carried out with the aid of a phase model for the purpose of supporting the start-up phase of an operation management system. Beside providing a functional structure for the database this process analysis permits a functional and consistent representation of the process at as crude or detailed a level as desired. In this way the phase model supplies a functional model of the process which serves the purposes of both the process control and the operation control level. Once the phase model has been created it largely only depends on the question being asked which level of detail and what properties of the relevant process elements and material and energy flows are used. [Deutsch] Eine mit Hilfe des Phasenmodells durchgefuehrte Prozessanalyse unterstuetzt die Einfuehrungsphase eines Betriebsmanagementsystems. Sie gibt eine funktionale Struktur der Datenbank vor und erlaubt darueberhinaus auf der Ebene des Betriebsmanagementsystems eine funktionale, konsistente, beliebig grobe oder feine detaillierte Darstellung des Prozesses. Die Phasenmodellierung liefert damit sowohl fuer die Prozessleitebene als auch fuer die Betriebsleitebene ein ganzheitliches, funktionales Modell des Prozesses. Wenn das Phasenmodell erst einmal erstellt ist, ist es im wesentlichen nur abhaengig von der Fragestellung, welche Detaillierungsebenen mit welchen Eigenschaften der relevanten Prozesselemente und Material-/Energiestroeme verwendet werden. (orig./RHM)

  6. Possible future HERA analyses

    Energy Technology Data Exchange (ETDEWEB)

    Geiser, Achim

    2015-12-15

    A variety of possible future analyses of HERA data in the context of the HERA data preservation programme is collected, motivated, and commented. The focus is placed on possible future analyses of the existing ep collider data and their physics scope. Comparisons to the original scope of the HERA pro- gramme are made, and cross references to topics also covered by other participants of the workshop are given. This includes topics on QCD, proton structure, diffraction, jets, hadronic final states, heavy flavours, electroweak physics, and the application of related theory and phenomenology topics like NNLO QCD calculations, low-x related models, nonperturbative QCD aspects, and electroweak radiative corrections. Synergies with other collider programmes are also addressed. In summary, the range of physics topics which can still be uniquely covered using the existing data is very broad and of considerable physics interest, often matching the interest of results from colliders currently in operation. Due to well-established data and MC sets, calibrations, and analysis procedures the manpower and expertise needed for a particular analysis is often very much smaller than that needed for an ongoing experiment. Since centrally funded manpower to carry out such analyses is not available any longer, this contribution not only targets experienced self-funded experimentalists, but also theorists and master-level students who might wish to carry out such an analysis.

  7. Physical modeling and numerical analyses of vibro-driven piles with evaluation of their applicability for offshore wind turbine support structures

    OpenAIRE

    Foglia, Aligi; Kohlmeier, Martin; Wefer, Maik

    2016-01-01

    Vibro-driven piles can potentially become cost-reducing alternatives to standard impact-driven piles for offshore wind turbine support structures. If these foundations are to be used to support jacket sub-structures, their bearing behaviour in tension has to be explored. In a novel geotechnical testing facility two large-scale vibro-driven piles for jacket sub-structures have been axially tested in tension. In this contribution the experimental tests are thoroughly described and the test resu...

  8. Theoretical study of the electronic structure of f-element complexes by quantum chemical methods; Analyse de la structure electronique des complexes contenant des elements F par des methodes de la chimie quantique

    Energy Technology Data Exchange (ETDEWEB)

    Vetere, V

    2002-09-15

    This thesis is related to comparative studies of the chemical properties of molecular complexes containing lanthanide or actinide trivalent cations, in the context of the nuclear waste disposal. More precisely, our aim was a quantum chemical analysis of the metal-ligand bonding in such species. Various theoretical approaches were compared, for the inclusion of correlation (density functional theory, multiconfigurational methods) and of relativistic effects (relativistic scalar and 2-component Hamiltonians, relativistic pseudopotentials). The performance of these methods were checked by comparing computed structural properties to published experimental data, on small model systems: lanthanide and actinide tri-halides and on X{sub 3}M-L species (X=F, Cl; M=La, Nd, U; L = NH{sub 3}, acetonitrile, CO). We have thus shown the good performance of density functionals combined with a quasi-relativistic method, as well as of gradient-corrected functionals associated with relativistic pseudopotentials. In contrast, functionals including some part of exact exchange are less reliable to reproduce experimental trends, and we have given a possible explanation for this result . Then, a detailed analysis of the bonding has allowed us to interpret the discrepancies observed in the structural properties of uranium and lanthanides complexes, based on a covalent contribution to the bonding, in the case of uranium(III), which does not exist in the lanthanide(III) homologues. Finally, we have examined more sizeable systems, closer to experimental species, to analyse the influence of the coordination number, of the counter-ions and of the oxidation state of uranium, on the metal-ligand bonding. (author)

  9. Network class superposition analyses.

    Directory of Open Access Journals (Sweden)

    Carl A B Pearson

    Full Text Available Networks are often used to understand a whole system by modeling the interactions among its pieces. Examples include biomolecules in a cell interacting to provide some primary function, or species in an environment forming a stable community. However, these interactions are often unknown; instead, the pieces' dynamic states are known, and network structure must be inferred. Because observed function may be explained by many different networks (e.g., ≈ 10(30 for the yeast cell cycle process, considering dynamics beyond this primary function means picking a single network or suitable sample: measuring over all networks exhibiting the primary function is computationally infeasible. We circumvent that obstacle by calculating the network class ensemble. We represent the ensemble by a stochastic matrix T, which is a transition-by-transition superposition of the system dynamics for each member of the class. We present concrete results for T derived from boolean time series dynamics on networks obeying the Strong Inhibition rule, by applying T to several traditional questions about network dynamics. We show that the distribution of the number of point attractors can be accurately estimated with T. We show how to generate Derrida plots based on T. We show that T-based Shannon entropy outperforms other methods at selecting experiments to further narrow the network structure. We also outline an experimental test of predictions based on T. We motivate all of these results in terms of a popular molecular biology boolean network model for the yeast cell cycle, but the methods and analyses we introduce are general. We conclude with open questions for T, for example, application to other models, computational considerations when scaling up to larger systems, and other potential analyses.

  10. Structural and mutational analyses of the interaction between the barley alpha-amylase/subtilisin inhibitor and the subtilisin savinase reveal a novel mode of inhibition.

    Science.gov (United States)

    Micheelsen, Pernille Ollendorff; Vévodová, Jitka; De Maria, Leonardo; Ostergaard, Peter Rahbek; Friis, Esben Peter; Wilson, Keith; Skjøt, Michael

    2008-07-18

    Subtilisins represent a large class of microbial serine proteases. To date, there are three-dimensional structures of proteinaceous inhibitors from three families in complex with subtilisins in the Protein Data Bank. All interact with subtilisin via an exposed loop covering six interacting residues. Here we present the crystal structure of the complex between the Bacillus lentus subtilisin Savinase and the barley alpha-amylase/subtilisin inhibitor (BASI). This is the first reported structure of a cereal Kunitz-P family inhibitor in complex with a subtilisin. Structural analysis revealed that BASI inhibits Savinase in a novel way, as the interacting loop is shorter than loops previously reported. Mutational analysis showed that Thr88 is crucial for the inhibition, as it stabilises the interacting loop through intramolecular interactions with the BASI backbone.

  11. Robust and portable capacity computing method for many finite element analyses of a high-fidelity crustal structure model aimed for coseismic slip estimation

    Science.gov (United States)

    Agata, Ryoichiro; Ichimura, Tsuyoshi; Hirahara, Kazuro; Hyodo, Mamoru; Hori, Takane; Hori, Muneo

    2016-09-01

    Computation of many Green's functions (GFs) in finite element (FE) analyses of crustal deformation is an essential technique in inverse analyses of coseismic slip estimations. In particular, analysis based on a high-resolution FE model (high-fidelity model) is expected to contribute to the construction of a community standard FE model and benchmark solution. Here, we propose a naive but robust and portable capacity computing method to compute many GFs using a high-fidelity model, assuming that various types of PC clusters are used. The method is based on the master-worker model, implemented using the Message Passing Interface (MPI), to perform robust and efficient input/output operations. The method was applied to numerical experiments of coseismic slip estimation in the Tohoku region of Japan; comparison of the estimated results with those generated using lower-fidelity models revealed the benefits of using a high-fidelity FE model in coseismic slip distribution estimation. Additionally, the proposed method computes several hundred GFs more robustly and efficiently than methods without the master-worker model and MPI.

  12. 波特理论在纺织行业竞争结构分析中的应用%The application of Michael E.Porter theory in competition structure analysing of textile industry

    Institute of Scientific and Technical Information of China (English)

    薛文生; 张爱香; 梁建芳; 祝双武

    2001-01-01

    The competition structure of textile industry with the competition model of Michael E. porter and the theory of industry structure are analysed in this paper. Through analysing the present situation and the trend of the textile industry, there is a leading function to the textile industry in China.%应用波特的竞争力模型和行业的结构分析理论分析了纺织行业的竞争结构.通过分析纺织行业的现状和发展趋势,对我国纺织行业的改革和纺织企业的发展具有一定的指导作用.

  13. Kinematics, dynamics and structural analyses of a semi-passive mechanical arm; Analise cinematica, dinamica e estrutural de um manipulador semi-passivo

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Claudio Violante [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil); Romano, Vitor Ferreira [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola Politecnica

    2008-07-01

    This work presents the dynamics and kinematics modeling, and the structural analysis (including modal analysis) of a gantry type Semi-Passive mechanical Arm (SPA). The kinematics analysis of the SPA is referred in the Joints Space Coordinates. The Denavit-Hartenberg (D-H) parameterization method is used in the manipulator kinematics model. The dynamics analysis is also referred in the Joints Space, and done by means of Lagrange Equations. To develop the dynamic equations it were considered the joints friction and the external loads related to marine currents and the AUV/SPA interaction. The dynamics analysis it was done in two SPA configurations: all joints with activated brakes (locked) and all joints with not activated brakes. A commercial FEM program, ANSYS{sup R} 5.5.1, was used to calculate the structural deformations and tensions, and these results were used to define the final structure configuration. This program has a Static Analysis Package which permits to determine the displacements, stresses, strains and forces in structures caused by external loads. In order to evaluate the SPA structural stiffness it was done the modal analysis and the determination of five SPA vibration modes and natural frequencies. (author)

  14. Proceedings of the International Workshop on Structural Analyses Bridging over between Amorphous and Crystalline Materials (SABAC2008); January 10-11, 2008, Tokai-mura, Naka-gun, Ibaraki-ken, Japan, Techno Community Square "RICOTTI"

    OpenAIRE

    社本 真一; 樹神 克明

    2008-01-01

    International workshop entitled "Structural Analyses Bridging over between Amorphous and Crystalline Materials" (SABAC2008) was held on January 10 and 11, 2007 at Techno Community Square "RICOTTI" in Tokai. Amorphous and crystalline materials are studied historically by various approaches. Recent industrial functional materials such as optical memory material, thermoelectric material, hydrogen storage material, and ionic conductor have intrinsic atomic disorders in their lattices. These local...

  15. SEM and Raman spectroscopy analyses of laser-induced periodic surface structures grown by ethanol-assisted femtosecond laser ablation of chromium

    Science.gov (United States)

    Bashir, Shazia; Shahid Rafique, M.; Nathala, Chandra S. R.; Ajami, Ali; Husinsky, Wolfgang

    2015-05-01

    The effect of fluence and pulse duration on the growth of nanostructures on chromium (Cr) surfaces has been investigated upon irradiation of femtosecond (fs) laser pulses in a liquid confined environment of ethanol. In order to explore the effect of fluence, targets were exposed to 1000 pulses at various peak fluences ranging from 4.7 to 11.8 J cm-2 for pulse duration of ∼25 fs. In order to explore the effect of pulse duration, targets were exposed to fs laser pulses of various pulse durations ranging from 25 to 100 fs, for a constant fluence of 11.8 J cm-2. Surface morphology and structural transformations have been analyzed by scanning electron microscopy and Raman spectroscopy, respectively. After laser irradiation, disordered sputtered surface with intense melting and cracking is obtained at the central ablated areas, which are augmented with increasing laser fluence due to enhanced thermal effects. At the peripheral ablated areas, where local fluence is approximately in the range of 1.4-4 mJ cm-2, very well-defined laser-induced periodic surface structures (LIPSS) with periodicity ranging from 270 to 370 nm along with dot-like structures are formed. As far as the pulse duration is concerned, a significant effect on the surface modification of Cr has been revealed. In the central ablated areas, for the shortest pulse duration (25 fs), only melting has been observed. However, LIPSS with dot-like structures and droplets have been grown for longer pulse durations. The periodicity of LIPSS increases and density of dot-like structures decreases with increasing pulse duration. The chemical and structural modifications of irradiated Cr have been revealed by Raman spectroscopy. It confirms the formation of new bands of chromium oxides and enol complexes or Cr-carbonyl compounds. The peak intensities of identified bands are dependent upon laser fluence and pulse duration.

  16. Structural and Mechanistic Analyses of TSC1/2 and Rheb 1/2-Mediated Regulation of the mTORC Pathway

    Science.gov (United States)

    2010-07-01

    Elsevier Inc. Molecular Cell Short ArticleStructure of the Human mTOR Complex I and Its Implications for Rapamycin Inhibition Calvin K. Yip,1...controls cell proliferation and survival768 Molecular Cell 38, 768–774, June 11, 2010 ª2010 Elsevier Inc.by phosphorylating and activating the Akt/PKB...of the panel showing the class average is 45 nm. See also Figure S1. Molecular Cell The Cryo-EM Structure of Human mTORC112 kDa), acutely inhibits

  17. Residual dipolar couplings in short peptidic foldamers: combined analyses of backbone and side-chain conformations and evaluation of structure coordinates of rigid unnatural amino acids.

    Science.gov (United States)

    Schmid, Markus B; Fleischmann, Matthias; D'Elia, Valerio; Reiser, Oliver; Gronwald, Wolfram; Gschwind, Ruth M

    2009-02-13

    A flexible tool for rigid systems. Residual dipolar couplings (RDCs) have proven to be valuable NMR structural parameters that provide insights into the backbone conformations of short linear peptidic foldamers, as illustrated here. This study demonstrates that RDCs at natural abundance can provide essential structural information even in the case of short linear peptides with unnatural amino acids. In addition, they allow for the detection of proline side-chain conformations and are used as a quality check for the parameterizations of rigid unnatural amino acids.

  18. Cyanide bridged hetero-metallic polymeric complexes: Syntheses, vibrational spectra, thermal analyses and crystal structures of complexes [M(1,2-dmi)2Ni(μ-CN)4]n (M = Zn(II) and Cd(II))

    Science.gov (United States)

    Kürkçüoğlu, Güneş Süheyla; Sayın, Elvan; Şahin, Onur

    2015-12-01

    Two cyanide bridged hetero-metallic complexes of general formula, [M(1,2-dmi)2Ni(μ-CN)4]n (1,2-dmi = 1,2-dimethylimidazole and M = Zn(II) or Cd(II)) have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal analyses and elemental analyses. The crystallographic analyses reveal that the complexes, [Zn(1,2-dmi)2Ni(μ-CN)4] (1) and [Cd(1,2-dmi)2Ni(μ-CN)4] (2), have polymeric 2D networks. In the complexes, four cyanide groups of [Ni(CN)4]2- coordinated to the adjacent M(II) ions and distorted octahedral geometries of complexes are completed by two nitrogen atoms of trans 1,2-dmi ligands. The structures of 1 and 2 are similar and linked via intermolecular hydrogen bonding, C-H⋯Ni interactions to give rise to 3D networks. Vibration assignments are given for all the observed bands and the spectral features also supported to the crystal structures of heteronuclear complexes. The FT-IR and Raman spectra of the complexes are very much consistent with the structural data presented.

  19. Crystal structures, DFT calculations and Hirshfeld surface analyses of three new cobalt(III) Schiff base complexes derived from meso-1,2-diphenyl-1,2-ethylenediamine

    Science.gov (United States)

    Masoudi, Mohaddeseh; Behzad, Mahdi; Arab, Ali; Tarahhomi, Atekeh; Rudbari, Hadi Amiri; Bruno, Giuseppe

    2016-10-01

    Three new Cobalt(III) Schiff base complexes were synthesized and characterized by spectroscopic methods and x-ray crystallography. The DFT optimized structures of the complexes agreed well with the corresponding x-ray structures. According to the calculated vibrational normal modes, the observed signals in the IR spectra of the complexes were assigned. The experimental UV-Vis spectra of the complexes were also discussed considering the calculated excited states and molecular orbitals. Hirshfeld surface analysis was carried out to study the inter-contact interactions in these complexes. These studies provided comprehensive description of such inter-contact interactions by means of an appealing graphical approach using 3D Hirshfeld surfaces and 2D fingerprint plots derived from the surfaces. It indicated the dominant role of various hydrogen intermolecular interactions such as H⋯H (above 60%), C⋯H/H⋯C (near 15%-20%), O⋯H/H⋯O (about 16% or 17% for structures with counter ion ClO4-) and H⋯F (17% for structure with counter ion PF6-) contacts into the crystal packing which are discussed in details.

  20. Crustal and upper mantle S-wave velocity structures across the Taiwan Strait from ambient seismic noise and teleseismic Rayleigh wave analyses

    Science.gov (United States)

    Huang, Y.; Yao, H.; Wu, F. T.; Liang, W.; Huang, B.; Lin, C.; Wen, K.

    2013-12-01

    Although orogeny seems to have stopped in western Taiwan large and small earthquakes do occur in the Taiwan Strait. Limited studies have focused on this region before and were barely within reach for comprehensive projects like TAICRUST and TAIGER for logistical reasons; thus, the overall crustal structures of the Taiwan Strait remain unknown. Time domain empirical Green's function (TDEGF) from ambient seismic noise to determine crustal velocity structure allows us to study an area using station pairs on its periphery. This research aims to resolve 1-D average crustal and upper mantle S-wave velocity (Vs) structures alone paths of several broadband station-pairs across the Taiwan Strait; 5-120 s Rayleigh wave phase velocity dispersion data derived by combining TDEGF and traditional surface wave two-station method (TS). The average Vs structures show significant differences in the upper 15 km as expected. In general, the highest Vs are observed in the coastal area of Mainland China and the lowest Vs appear along the southwest offshore of the Taiwan Island; they differ by about 0.6-1.1 km/s. For different parts of the Strait, the Vs are lower in the middle by about 0.1-0.2 km/s relative to those in the northern and southern parts. The overall crustal thickness is approximately 30 km, much thinner and less variable than under the Taiwan Island.

  1. Investigation of the Factor Structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV): Exploratory and Higher Order Factor Analyses

    Science.gov (United States)

    Canivez, Gary L.; Watkins, Marley W.

    2010-01-01

    The present study examined the factor structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV; D. Wechsler, 2008a) standardization sample using exploratory factor analysis, multiple factor extraction criteria, and higher order exploratory factor analysis (J. Schmid & J. M. Leiman, 1957) not included in the WAIS-IV Technical…

  2. Better Transitions for Troops: An Application of Schlossberg's Transition Framework to Analyses of Barriers and Institutional Support Structures for Student Veterans

    Science.gov (United States)

    Griffin, Kimberly A.; Gilbert, Claire K.

    2015-01-01

    Scholssberg's transition theory is used to frame qualitative analysis of narratives from veterans, administrators, and student affairs professionals, examining whether and how institutions can influence veterans' transitions to higher education. Findings suggest how institutional structures assist students in developing navigational…

  3. Extending Structural Analyses of the Rosenberg Self-Esteem Scale to Consider Criterion-Related Validity: Can Composite Self-Esteem Scores Be Good Enough?

    Science.gov (United States)

    Donnellan, M Brent; Ackerman, Robert A; Brecheen, Courtney

    2016-01-01

    Although the Rosenberg Self-Esteem Scale (RSES) is the most widely used measure of global self-esteem in the literature, there are ongoing disagreements about its factor structure. This methodological debate informs how the measure should be used in substantive research. Using a sample of 1,127 college students, we test the overall fit of previously specified models for the RSES, including a newly proposed bifactor solution (McKay, Boduszek, & Harvey, 2014 ). We extend previous work by evaluating how various latent factors from these structural models are related to a set of criterion variables frequently studied in the self-esteem literature. A strict unidimensional model poorly fit the data, whereas models that accounted for correlations between negatively and positively keyed items tended to fit better. However, global factors from viable structural models had similar levels of association with criterion variables and with the pattern of results obtained with a composite global self-esteem variable calculated from observed scores. Thus, we did not find compelling evidence that different structural models had substantive implications, thereby reducing (but not eliminating) concerns about the integrity of the self-esteem literature based on overall composite scores for the RSES.

  4. The structure of post-traumatic stress symptoms in survivors of war: confirmatory factor analyses of the Impact of Event Scale—Revised

    NARCIS (Netherlands)

    N. Morina; H.F. Böhme; D. Ajdukovic; M. Bogic; T. Franciskovic; G.M. Galeazzi; A. Kucukalic; D. Lecic-Tosevski; M. Popovski; M. Schützwohl; U. Stangier; S. Priebe

    2010-01-01

    The study aimed at establishing the factor structure of the Impact of Event Scale—Revised (IES-R) in survivors of war. A total sample of 4167 participants with potentially traumatic experiences during the war in Ex-Yugoslavia was split into three samples: two independent samples of people who stayed

  5. Structural mapping of the coiled-coil domain of a bacterial condensin and comparative analyses across all domains of life suggest conserved features of SMC proteins.

    Science.gov (United States)

    Waldman, Vincent M; Stanage, Tyler H; Mims, Alexandra; Norden, Ian S; Oakley, Martha G

    2015-06-01

    The structural maintenance of chromosomes (SMC) proteins form the cores of multisubunit complexes that are required for the segregation and global organization of chromosomes in all domains of life. These proteins share a common domain structure in which N- and C- terminal regions pack against one another to form a globular ATPase domain. This "head" domain is connected to a central, globular, "hinge" or dimerization domain by a long, antiparallel coiled coil. To date, most efforts for structural characterization of SMC proteins have focused on the globular domains. Recently, however, we developed a method to map interstrand interactions in the 50-nm coiled-coil domain of MukB, the divergent SMC protein found in γ-proteobacteria. Here, we apply that technique to map the structure of the Bacillus subtilis SMC (BsSMC) coiled-coil domain. We find that, in contrast to the relatively complicated coiled-coil domain of MukB, the BsSMC domain is nearly continuous, with only two detectable coiled-coil interruptions. Near the middle of the domain is a break in coiled-coil structure in which there are three more residues on the C-terminal strand than on the N-terminal strand. Close to the head domain, there is a second break with a significantly longer insertion on the same strand. These results provide an experience base that allows an informed interpretation of the output of coiled-coil prediction algorithms for this family of proteins. A comparison of such predictions suggests that these coiled-coil deviations are highly conserved across SMC types in a wide variety of organisms, including humans.

  6. Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase

    Energy Technology Data Exchange (ETDEWEB)

    Fitzpatrick,P.; Bozinovski, D.; Heroux, A.; Shaw, P.; Valley, M.; Orville, A.

    2007-01-01

    The flavoprotein nitroalkane oxidase (NAO) catalyzes the oxidation of primary and secondary nitroalkanes to the corresponding aldehydes and ketones. The enzyme is a homologue of acyl-CoA dehydrogenase. Asp402 in NAO has been proposed to be the active site base responsible for removing the substrate proton in the first catalytic step; structurally it corresponds to the glutamate which acts as the base in medium chain acyl-CoA dehydrogenase. In the active site of NAO, the carboxylate of Asp402 forms an ionic interaction with the side chain of Arg409. The R409K enzyme has now been characterized kinetically and structurally. The mutation results in a decrease in the rate constant for proton abstraction of 100-fold. Analysis of the three-dimensional structure of the R409K enzyme, determined by X-ray crystallography to a resolution of 2.65 Angstroms, shows that the critical structural change is an increase in the distance between the carboxylate of Asp402 and the positively charged nitrogen in the side chain of the residue at position 409. The D402E mutation results in a smaller decrease in the rate constant for proton abstraction of 18-fold. The structure of the D402E enzyme, determined at 2.4 Angstroms resolution, shows that there is a smaller increase in the distance between Arg409 and the carboxylate at position 402, and the interaction of this residue with Ser276 is perturbed. These results establish the critical importance of the interaction between Asp402 and Arg409 for proton abstraction by nitroalkane oxidase.

  7. Using Instrumental Neutron Activation Analysis for geochemical analyses of terrestrial impact structures: Current analytical procedures at the University of Vienna Geochemistry Activation Analysis Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Mader, Dieter [Department of Lithospheric Research, University of Vienna, Althanstrasse 14, 1090 Vienna (Austria)], E-mail: dieter.mader@univie.ac.at; Koeberl, Christian [Department of Lithospheric Research, University of Vienna, Althanstrasse 14, 1090 Vienna (Austria)], E-mail: christian.koeberl@univie.ac.at

    2009-12-15

    The Instrumental Neutron Activation Analysis Gamma Spectroscopy Laboratory at the Department of Lithospheric Research, University of Vienna, has been upgraded in the year 2006. This paper describes the sample preparation, new instrumentation and data evaluation for hundreds of rock samples of two terrestrial impact structures. The measurement and data evaluation are done by using Genie{sup TM} 2000 and a custom-made batch software for the used analysis sequences.

  8. Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes

    OpenAIRE

    Fabian Kurth; Kieran Rimmer; Lakshmanane Premkumar; Biswaranjan Mohanty; Wilko Duprez; Halili, Maria A; Shouldice, Stephen R.; Begoña Heras; Fairlie, David P.; Martin J. Scanlon; Jennifer L Martin

    2013-01-01

    Bacterial DsbA enzymes catalyze oxidative folding of virulence factors, and have been identified as targets for antivirulence drugs. However, DsbA enzymes characterized to date exhibit a wide spectrum of redox properties and divergent structural features compared to the prototypical DsbA enzyme of Escherichia coli DsbA (EcDsbA). Nonetheless, sequence analysis shows that DsbAs are more highly conserved than their known substrate virulence factors, highlighting the potential to inhibit virulenc...

  9. Quartz: structural and thermodynamic analyses across the α ↔ β transition with origin of negative thermal expansion (NTE) in β quartz and calcite.

    Science.gov (United States)

    Antao, Sytle M

    2016-04-01

    The temperature variation, T, of the crystal structure of quartz, SiO2, from 298 to 1235 K was obtained with synchrotron powder X-ray diffraction data and Rietveld structure refinements. The polymorphic transformation from P3221 (low-T, α quartz) to P6222 (high-T, β quartz) occurs at a transition temperature, Ttr = 847 K. The T variations of spontaneous strains and several structural parameters are fitted to an order parameter, Q, using Landau theory. The change in Si atom coordinate, Six, gives Ttr - Tc = 0.49 K, which indicates an α ↔ β transition that is weakly first order and nearly tricritical in character (Q(4) ∝ T). Strains give higher Ttr - Tc values (≃ 7 K). Other fitted parameters are the oxygen Oz coordinate, Si-Si distance, Si-O-Si and ϕ angles, and intensity of the (111) reflection, I111. In α quartz, the Si-Si distance increases with T because of cation repulsion, so the Si-O-Si angle increases (and ϕ decreases) and causes the thermal expansion of the framework structure that consists of corner-sharing distorted rigid SiO4 tetrahedra. The Si-Si distances contract with T and cause negative thermal expansion (NTE) in β quartz because of increasing thermal librations of the O atom in the Si-O-Si linkage that occur nearly perpendicular to the Si-Si contraction. In calcite, CaCO3, the short Ca-Ca distance expands with T, but the next-nearest Ca-Ca distance, which is of equal length to the a axis, contracts with T and causes NTE along the a axis. The thermal librations of the atoms in the rigid CO3 group increase with T along the c axis.

  10. Analyse and Re-engineer the Organization Structure of the Library%图书馆组织结构分析与再造

    Institute of Scientific and Technical Information of China (English)

    王频

    2011-01-01

    The paper first analyzes the traditional monostructure of the library, and then goes to the motivation and principle of inner organization structure of library. Also the paper includes a comparative study among scientific research libraries, public libraries and high educational institute libraries. From the analysis, the paper proposes that a compound structure is necessary and gives a re-engineer model for inner organization structure.%在对单一图书馆传统组织结构分析的基础上,就图书馆内部组织结构再造的动因和原则进行分析,并对科研图书馆、公共图书馆和高校图书馆的现有组织结构进行分析,提出构建新型组织结构的构想,针对公共图书馆和高校图书馆设计内部组织结构再造模型。

  11. Insights into the potential function and membrane organization of the TP0435 (Tp17) lipoprotein from Treponema pallidum derived from structural and biophysical analyses.

    Science.gov (United States)

    Brautigam, Chad A; Deka, Ranjit K; Liu, Wei Z; Norgard, Michael V

    2015-01-01

    The sexually transmitted disease syphilis is caused by the bacterial spirochete Treponema pallidum. This microorganism is genetically intractable, accounting for the large number of putative and undercharacterized members of the pathogen's proteome. In an effort to ascribe a function(s) to the TP0435 (Tp17) lipoprotein, we engineered a soluble variant of the protein (rTP0435) and determined its crystal structure at a resolution of 2.42 Å. The structure is characterized by an eight-stranded β-barrel protein with a shallow "basin" at one end of the barrel and an α-helix stacked on the opposite end. Furthermore, there is a disulfide-linked dimer of the protein in the asymmetric unit of the crystals. Solution hydrodynamic experiments established that purified rTP0435 is monomeric, but specifically forms the disulfide-stabilized dimer observed in the crystal structure. The data herein, when considered with previous work on TP0435, imply plausible roles for the protein in either ligand binding, treponemal membrane architecture, and/or pathogenesis.

  12. Structural analyses of experimental 13C edited amide I' IR and VCD for peptide β-sheet aggregates and fibrils using DFT-based spectral simulations.

    Science.gov (United States)

    Welch, William R W; Keiderling, Timothy A; Kubelka, Jan

    2013-09-12

    In the preceding paper, computational models based on density functional theory (DFT) were presented to characterize the sensitivity of vibrational spectroscopic methods (IR, VCD, and Raman) to structural features of β-sheets. Isotopically edited amide I' IR for peptides labeled with (13)C in multiple different sites provides the most structurally distinct signatures of strand alignment, while VCD is sensitive to the sheet twist and intersheet stacking. In this report, we simulate the IR and VCD spectra for models approximating structures of four β-sheet forming peptides previously experimentally studied using these methods with (13)C isotopic editing. Various register alignments are tested. Agreement with experiment is evaluated based on frequency shifts of both the (12)C and (13)C IR amide I' signals, relative intensity patterns, and VCD spectra where available. While for the simulation of IR spectra canonical planar sheets provide a sufficient model system, for VCD simulation twisted, stacked sheets are required in order to reproduce strong couplet-like amide I' VCD. Effects of the solvent (water) and amino acid side chains are also tested by using a simplified, electrostatic solvent model and atomic partial charges for the side chains. Very good agreement with experimental spectra is obtained, particularly for the relative (12)C and (13)C band frequencies. All four peptide models are shown to be antiparallel as had previously been assumed. However, in some cases our simulations are consistent with different register alignment of strands than originally proposed.

  13. Structural analyses of the CRISPR protein Csc2 reveal the RNA-binding interface of the type I-D Cas7 family.

    Science.gov (United States)

    Hrle, Ajla; Maier, Lisa-Katharina; Sharma, Kundan; Ebert, Judith; Basquin, Claire; Urlaub, Henning; Marchfelder, Anita; Conti, Elena

    2014-01-01

    Upon pathogen invasion, bacteria and archaea activate an RNA-interference-like mechanism termed CRISPR (clustered regularly interspaced short palindromic repeats). A large family of Cas (CRISPR-associated) proteins mediates the different stages of this sophisticated immune response. Bioinformatic studies have classified the Cas proteins into families, according to their sequences and respective functions. These range from the insertion of the foreign genetic elements into the host genome to the activation of the interference machinery as well as target degradation upon attack. Cas7 family proteins are central to the type I and type III interference machineries as they constitute the backbone of the large interference complexes. Here we report the crystal structure of Thermofilum pendens Csc2, a Cas7 family protein of type I-D. We found that Csc2 forms a core RRM-like domain, flanked by three peripheral insertion domains: a lid domain, a Zinc-binding domain and a helical domain. Comparison with other Cas7 family proteins reveals a set of similar structural features both in the core and in the peripheral domains, despite the absence of significant sequence similarity. T. pendens Csc2 binds single-stranded RNA in vitro in a sequence-independent manner. Using a crosslinking - mass-spectrometry approach, we mapped the RNA-binding surface to a positively charged surface patch on T. pendens Csc2. Thus our analysis of the key structural and functional features of T. pendens Csc2 highlights recurring themes and evolutionary relationships in type I and type III Cas proteins.

  14. Preparation and structure investigation of novel Schiff bases using spectroscopic, thermal analyses and molecular orbital calculations and studying their biological activities.

    Science.gov (United States)

    Zayed, Ehab M; Zayed, M A; El-Desawy, M

    2015-01-05

    Two novel Schiff's bases (EB1 and L1) as new macrocyclic compounds were prepared via condensation reactions between bisaldehyde (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde): firstly with hydrazine carbothioamide to give (EB1), secondly with 4,6-diaminopyrimidine-2-thiol to give (L1). EB1 has a general formula C₁₈H₂₀N₆O₂S₂ of mole mass=416.520, and IUPAC name ((N,N'Z,N,N'E)-N,N'-(((ethane1,2diylbis(oxy))bis(2,1phenylene))bis(methanylylidene))bis(1hydrazinylmethanethioamide). L1 has a general formula C₂₀H₁₆N₄O₂S of mole mass=376.10; and IUPAC name 1,2-bis(2-vinylphenoxy)ethane4,6-diaminopyrimidine-2-thiol). The structures of the compounds obtained were characterized based on elemental analysis, FT-IR and (1)H NMR spectra, mass, and thermogravimetric analysis (TG, DTG). The activation thermodynamic parameters, such as, ΔE(*), ΔH(*), ΔS(*) and ΔG(*) were calculated from the TG curves using Coats-Redfern method. It is important to investigate their structures to know the active groups and weak bond responsible for their biological activities. The obtained thermal (TA) and mass (MS) practical results are confirmed by semi-empirical MO-calculation using PM3 procedure, on the neutral and positively charged forms of these novel Schiff bases. Therefore, comparison between MS and TA helps in selection of the proper pathway representing the decomposition of these compounds to give indication about their structures and consequently their biological activities. Their biological activities have been tested in vitro against Escherichia coli, Proteus vulgaris, Bacillissubtilies and Staphylococcus aurous bacteria in order to assess their antimicrobial potential.

  15. Structural and mutational analyses of the receptor binding domain of botulinum D/C mosaic neurotoxin: Insight into the ganglioside binding mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Nuemket, Nipawan [Graduate School of Life Sciences, Hokkaido University, Sapporo 060-0810 (Japan); Tanaka, Yoshikazu [Creative Research Institution ' Sousei,' Hokkaido University, Sapporo 001-0021 (Japan); Faculty of Advanced Life Science, Hokkaido University, Sapporo 060-0810 (Japan); Tsukamoto, Kentaro; Tsuji, Takao [Department of Microbiology, Fujita Health University School of Medicine, Toyoake, Aichi 470-1192 (Japan); Nakamura, Keiji; Kozaki, Shunji [Department of Veterinary Science, Graduate School of Life and Environmental Sciences, Osaka Prefecture University, Osaka 598-8531 (Japan); Yao, Min [Graduate School of Life Sciences, Hokkaido University, Sapporo 060-0810 (Japan); Faculty of Advanced Life Science, Hokkaido University, Sapporo 060-0810 (Japan); Tanaka, Isao, E-mail: tanaka@castor.sci.hokudai.ac.jp [Graduate School of Life Sciences, Hokkaido University, Sapporo 060-0810 (Japan); Faculty of Advanced Life Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2011-07-29

    Highlights: {yields} We determined the crystal structure of the receptor binding domain of BoNT in complex with 3'-sialyllactose. {yields} An electron density derived from the 3'-sialyllactose was confirmed at the cleft in the C-terminal subdomain. {yields} Alanine site-directed mutagenesis showed that GBS and GBL are important for ganglioside binding. {yields} A cell binding mechanism, which involves cooperative contribution of two sites, was proposed. -- Abstract: Clostridium botulinum type D strain OFD05, which produces the D/C mosaic neurotoxin, was isolated from cattle killed by the recent botulism outbreak in Japan. The D/C mosaic neurotoxin is the most toxic of the botulinum neurotoxins (BoNT) characterized to date. Here, we determined the crystal structure of the receptor binding domain of BoNT from strain OFD05 in complex with 3'-sialyllactose at a resolution of 3.0 A. In the structure, an electron density derived from the 3'-sialyllactose was confirmed at the cleft in the C-terminal subdomain. Alanine site-directed mutagenesis showed the significant contribution of the residues surrounding the cleft to ganglioside recognition. In addition, a loop adjoining the cleft also plays an important role in ganglioside recognition. In contrast, little effect was observed when the residues located around the surface previously identified as the protein receptor binding site in other BoNTs were substituted. The results of cell binding analysis of the mutants were significantly correlated with the ganglioside binding properties. Based on these observations, a cell binding mechanism of BoNT from strain OFD05 is proposed, which involves cooperative contribution of two ganglioside binding sites.

  16. Quartz: structural and thermodynamic analyses across the α ↔ β transition with origin of negative thermal expansion (NTE) in β quartz and calcite

    Energy Technology Data Exchange (ETDEWEB)

    Antao, Sytle M.

    2016-04-01

    The temperature variation,T, of the crystal structure of quartz, SiO2, from 298 to 1235 K was obtained with synchrotron powder X-ray diffraction data and Rietveld structure refinements. The polymorphic transformation fromP3221 (low-T, α quartz) toP6222 (high-T, β quartz) occurs at a transition temperature,Ttr= 847 K. TheTvariations of spontaneous strains and several structural parameters are fitted to an order parameter,Q, using Landau theory. The change in Si atom coordinate, Six, givesTtr-Tc= 0.49 K, which indicates an α ↔ β transition that is weakly first order and nearly tricritical in character (Q4T). Strains give higherTtr-Tcvalues (≃ 7 K). Other fitted parameters are the oxygen Ozcoordinate, Si—Si distance, Si—O—Si and φ angles, and intensity of the (111) reflection,I111. In α quartz, the Si—Si distance increases withTbecause of cation repulsion, so the Si—O—Si angle increases (and φ decreases) and causes the thermal expansion of the framework structure that consists of corner-sharing distorted rigid SiO4tetrahedra. The Si—Si distances contract withTand cause negative thermal expansion (NTE) in β quartz because of increasing thermal librations of the O atom in the Si—O—Si linkage that occur nearly perpendicular to the Si—Si contraction. In calcite, CaCO3, the short Ca—Ca distance expands withT, but the next-nearest Ca—Ca distance, which is of equal length to theaaxis, contracts withTand causes NTE along

  17. Cs校正TEM的表面/界面结构分析%Structural analyses of surfaces/interfaces by Cs-corrected TEM

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ Recently a spherical-aberration(Cs)corrected 200kV transmission electron microscope(TEM)has brought a significant improvement in its spatial resolution,which allows us to identify even oxygen atom columns in crystalline materials[1,2].Another important advantage of Cs-correction is that non-periodic structures such as surfaces/interfaces and tubes are observed precisely at almost just focus[3,4,5].In this seminar we talk mainly about observations of MgO{100}surfaces by a Cscorrected TEM.

  18. The R Protein of SARS-CoV: Analyses of Structure and Function Based on Four Complete Genome Sequences of Isolates BJ01-BJ04

    Institute of Scientific and Technical Information of China (English)

    Zuyuan Xu; Zizhang Zhang; Jing Xu; Wei Wei; Jingui Zhu; Haiyan Sun; Xiaowei Zhang; Jun Zhou; Songgang Li; Jun Wang; Jian Wang; Haiqing Zhang; Shengli Bi; Huanming Yang; Xiangjun Tian; Jia Ji; Wei Li; Yan Li; Wei Tian; Yujun Han; Lili Wang

    2003-01-01

    The R (replicase) protein is the uniquely defined non-structural protein (NSP)responsible for RNA replication, mutation rate or fidelity, regulation of transcrip-tion in coronaviruses and many other ssRNA viruses. Based on our completegenome sequences of four isolates (BJ01-BJ04) of SARS-CoV from Beijing, China,we analyzed the structure and predicted functions of the R protein in comparisonwith 13 other isolates of SARS-CoV and 6 other coronaviruses. The entire ORF(open-reading frame) encodes for two major enzyme activities, RNA-dependentRNA polymerase (RdRp) and proteinase activities. The R polyprotein under-goes a complex proteolytic process to produce 15 function-related peptides. Ahydrophobic domain (HOD) and a hydrophilic domain (HID) are newly identifiedwithin NSP1. The substitution rate of the R protein is close to the average ofthe SARS-CoV genome. The functional domains in all NSPs of the R proteingive different phylogenetic results that suggest their different mutation rate underselective pressure. Eleven highly conserved regions in RdRp and twelve cleavagesites by 3CLP (chymotrypsin-like protein) have been identified as potential drugtargets. Findings suggest that it is possible to obtain information about the phy-logeny of SARS-CoV, as well as potential tools for drug design, genotyping anddiagnostics of SARS.

  19. Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking

    Science.gov (United States)

    Issaoui, N.; Ghalla, H.; Bardak, F.; Karabacak, M.; Aouled Dlala, N.; Flakus, H. T.; Oujia, B.

    2017-02-01

    In this work, the molecular structures and vibrational spectral analyses of 3-(2-Theinyl)acrylic acid (3-2TAA) monomer and dimer structures have been reported by using density functional theory calculations at B3LYP/6-311++G(d,p) level of theory. The complete assignments of the fundamental vibrational modes were obtained using potential energy distribution. Intermolecular interactions were analyzed by orbital NBO and topological AIM approaches. The electronic properties have been carried out using TD-DFT approach. Great agreements between experimental and theoretical values were achieved throughout the analysis of structural parameters and spectroscopic features. Inhibitor characteristics on human monoamine oxidase B (MAOB) enzyme of two determined stable conformers of 3-2TAA (β and γ) along with four selective inhibitors, namely safinamide, a coumarin analogue, farnesol, and phenyethylhydrazine were investigated via molecular docking. Moreover, molecular electrostatic potential (MEP) and temperature dependency of thermodynamic functions have been reported.

  20. Thermodynamic analyses of structural phase transition of Pr{sub 2}NiO{sub 4+δ} involving variation of oxygen content

    Energy Technology Data Exchange (ETDEWEB)

    Niwa, Eiki, E-mail: e-niwa@phys.chs.nihon-u.ac.jp [Department of Physics, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan); Wakai, Kazuya [Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan); Hori, Tetsuya; Yashiro, Keiji; Mizusaki, Junichiro [Institute of Multidisciplinary Research for Advance Materials, Tohoku University, Sendai 980-8577 (Japan); Hashimoto, Takuya [Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan)

    2014-01-10

    Graphical abstract: - Highlights: • P(O{sub 2}) dependence of phase transition behavior of Pr{sub 2}NiO{sub 4+δ} was investigated. • The structural phase transition was measured by DSC and TG–DTA. • ΔH and ΔS of Pr{sub 2}NiO{sub 4+δ} were confirmed to be almost constant against P(O{sub 2}). • Variation of oxygen content at the phase transition, Δδ changed by P(O{sub 2}). • The origin of different Δδ by P(O{sub 2}) is valence change of Pr ion. - Abstract: Structural phase transition behavior of Pr{sub 2}NiO{sub 4+δ}, which attracts interest as new cathode material for solid oxide fuel cells, was investigated by DSC and TG–DTA under controlled oxygen partial pressure, P(O{sub 2}). It was revealed that the structural phase transition from orthorhombic phase to tetragonal phase involved discrete decrease of oxygen content in Pr{sub 2}NiO{sub 4+δ} and that the phase transition temperature, T{sub p}, decreased with decreasing P(O{sub 2}). Variation of enthalpy, ΔH, and entropy, ΔS, at the phase transition per one molar Pr{sub 2}NiO{sub 4+δ} were calculated from the peak area of DSC and they were independent on P(O{sub 2}) between 1.0 × 10{sup −1} bar and 2.25 × 10{sup −3} bar. From the linear relationships between T{sub p} and RT{sub p}ln P(O{sub 2}) and between 1/T{sub p} and Rln P(O{sub 2}), variation of standard enthalpy, ΔH°, and standard entropy, ΔS°, of the phase transition per one molar O{sub 2} were calculated, showing fair agreement with ΔH and ΔS. The variation of oxygen content at the phase transition, Δδ, increased with decreasing P(O{sub 2}), which can be attributed to valence variation of Pr in tetragonal Pr{sub 2}NiO{sub 4+δ} by P(O{sub 2})

  1. Analyses of Composition and Structure on the Ancient Bronze Black Mirror“Hei-Qi-Gu”and Search Into the Treating Process of Its Surface Layer

    Institute of Scientific and Technical Information of China (English)

    范崇正; Suzuki Minoru; Inoue Miyoshi; Abe Tadahiro; Muraua Mitsuo; Asashi Ishikawa; 吴佑实; 李志超

    1994-01-01

    The Chinese ancient bronze black mirror"Hei-Qi-Gu"is famous for its black colour,brightsurface and anti-corroding property.In the present work,methods of SEM,IR,EPMA,Memhrane-XRD,and AFM were employed to detect the composition and structure of several pieces of Hei-Qi-Gu fragments.Itwas found that after casting,the surface of the bronze mirror was treated by a special process,and most ofCu was moved away while Sn and Si were rich in the surface layer.The oxides SnO2 and SiO2 on the surfacein a very small particle size are particularly stable and they protect the bronze alloy successfully.The surface layer and the transition layer have been dissected mainly,and some important informa-tion has been obtained.The special treating process of the mirror surface is searched and discussed.

  2. The Grism Lens-amplified Survey from Space (Glass). IX. The Dual Origin of Low-mass Cluster Galaxies as Revealed by New Structural Analyses

    Science.gov (United States)

    Morishita, Takahiro; Abramson, Louis E.; Treu, Tommaso; Vulcani, Benedetta; Schmidt, Kasper B.; Dressler, Alan; Poggianti, Bianca M.; Malkan, Matthew A.; Wang, Xin; Huang, Kuang-Han; Trenti, Michele; Bradač, Maruša; Hoag, Austin

    2017-02-01

    Using deep Hubble Frontier Fields imaging and slitless spectroscopy from the Grism Survey from Space, we study 2200 cluster and 1748 field galaxies at 0.2≤slant z≤slant 0.7 to determine the impact of environment on galaxy size and structure at stellar masses {log}{M}* /{M}ȯ > 7.8, an unprecedented limit at these redshifts. Based on simple assumptions—{r}e=f({M}* )—we find no significant differences in half-light radii (r e ) between equal-mass cluster or field systems. More complex analyses—{r}e=f({M}* ,U-V,n,z,{{Σ }})—reveal local density (Σ) to induce only a 7% ± 3% (95% confidence) reduction in r e beyond what can be accounted for by U ‑ V color, Sérsic index (n), and redshift (z) effects. Almost any size difference between galaxies in high- and low-density regions is thus attributable to their different distributions in properties other than environment. Indeed, we find a clear color–r e correlation in low-mass passive cluster galaxies ({log}{M}* /{M}ȯ star-forming galaxies. We take this as evidence that large-r e low-mass passive cluster galaxies are recently acquired systems that have been environmentally quenched without significant structural transformation (e.g., by ram pressure stripping or starvation). Conversely, ∼20% of small-r e low-mass passive cluster galaxies appear to have been in place since z≳ 3. Given the consistency of the small-r e galaxies’ stellar surface densities (and even colors) with those of systems more than ten times as massive, our findings suggest that clusters mark places where galaxy evolution is accelerated for an ancient base population spanning most masses, with late-time additions quenched by environment-specific mechanisms mainly restricted to the lowest masses.

  3. Structural Based Analyses of the JC Virus T-Antigen F258L Mutant Provides Evidence for DNA Dependent Conformational Changes in the C-Termini of Polyomavirus Origin Binding Domains.

    Directory of Open Access Journals (Sweden)

    Gretchen Meinke

    2016-01-01

    Full Text Available The replication of human polyomavirus JCV, which causes Progressive Multifocal Leukoencephalopathy, is initiated by the virally encoded T-antigen (T-ag. The structure of the JC virus T-ag origin-binding domain (OBD was recently solved by X-ray crystallography. This structure revealed that the OBD contains a C-terminal pocket, and that residues from the multifunctional A1 and B2 motifs situated on a neighboring OBD molecule dock into the pocket. Related studies established that a mutation in a pocket residue (F258L rendered JCV T-ag unable to support JCV DNA replication. To establish why this mutation inactivated JCV T-ag, we have solved the structure of the F258L JCV T-ag OBD mutant. Based on this structure, it is concluded that the structural consequences of the F258L mutation are limited to the pocket region. Further analyses, utilizing the available polyomavirus OBD structures, indicate that the F258 region is highly dynamic and that the relative positions of F258 are governed by DNA binding. The possible functional consequences of the DNA dependent rearrangements, including promotion of OBD cycling at the replication fork, are discussed.

  4. Tem analyses of the local crystal and domain structures in (Na(1-x)K(x))0.5Bi(0.5)TiO3 perovskite ceramics.

    Science.gov (United States)

    Otonicar, Mojca; Skapin, Sreco D; Jancar, Bostjan

    2011-09-01

    The local crystal and domain structures of the ((Na(1-x)K(x))(0.5)Bi(0.5)TiO(3) (NBT-KBT) solid solutions were studied because of their influence on the enhanced electromechanical properties of ceramics. Based on X-ray diffraction, the morphotropic phase boundary (MPB) was determined for the composition x = 0.20, in which the rhombohedral and the tetragonal structures were observed to coexist. However, detailed domain-structure analyses using transmission electron microscopy (TEM), performed on the NBT, KBT, and five NBT-KBT solid-solution compositions, revealed some structural changes at/near the MPB. In the samples on the tetragonal side of the MPB, the grains showed a lamellar domain structure with 90° orientations of the individual domains, separated by straight domain boundaries, i.e., (011)/(101) twin planes. The rhombohedral samples on the other side of the MPB showed a typical square-net pattern with needle-like or lamellar ~71°/109° rhombohedral domains with (001) and/or (110) twin planes separating the individual domains. The domain structure at the MPB showed well-defined lamellar domains. Based on the occurrence of the superstructure reflections in the SAED patterns of various crystallographic zones, on the characteristic splitting of the reflections, and on the domain morphology observations, the crystal structure in/near the boundary region was determined to be a tetragonal structure with an in-phase oxygen octahedral tilt system (probably a(0)a(0)c(+)). It is suggested that the tetragonal polar order is partly induced from the rhombohedral structure at the MPB as a result of mechanical loading during TEM sample preparation.

  5. Differential activity and structure of highly similar peroxidases. Spectroscopic, crystallographic, and enzymatic analyses of lignifying Arabidopsis thaliana peroxidase A2 and horseradish peroxidase A2.

    Science.gov (United States)

    Nielsen, K L; Indiani, C; Henriksen, A; Feis, A; Becucci, M; Gajhede, M; Smulevich, G; Welinder, K G

    2001-09-18

    Anionic Arabidopsis thaliana peroxidase ATP A2 was expressed in Escherichia coli and used as a model for the 95% identical commercially available horseradish peroxidase HRP A2. The crystal structure of ATP A2 at 1.45 A resolution at 100 K showed a water molecule only 2.1 A from heme iron [Ostergaard, L., et al. (2000) Plant Mol. Biol. 44, 231-243], whereas spectroscopic studies of HRP A2 in solution at room temperature [Feis, A., et al. (1998) J. Raman Spectrosc. 29, 933-938] showed five-coordinated heme iron, which is common in peroxidases. Presented here, the X-ray crystallographic, single-crystal, and solution resonance Raman studies at room temperature confirmed that the sixth coordination position of heme iron of ATP A2 is essentially vacant. Furthermore, electronic absorption and resonance Raman spectroscopy showed that the heme environments of recombinant ATP A2 and glycosylated plant HRP A2 are indistinguishable at neutral and alkaline pH, from room temperature to 12 K, and are highly flexible compared with other plant peroxidases. Ostergaard et al. (2000) also demonstrated that ATP A2 expression and lignin formation coincide in Arabidopsis tissues, and docking of lignin precursors into the substrate binding site of ATP A2 predicted that coniferyl and p-coumaryl alcohols were good substrates. In contrast, the additional methoxy group of the sinapyl moiety gave rise to steric hindrance, not only in A2 type peroxidases but also in all peroxidases. We confirm these predictions for ATP A2, HRP A2, and HRP C. The specific activity of ATP A2 was lower than that of HRP A2 (pH 4-8), although a steady-state study at pH 5 demonstrated very little difference in their rate constants for reaction with H2O2 (k1 = 1.0 microM(-1) x s(-1). The oxidation of coniferyl alcohol, ferulic, p-coumaric, and sinapic acids by HRP A2, and ATP A2, however, gave modest but significantly different k3 rate constants of 8.7 +/- 0.3, 4.0 +/- 0.2, 0.70 +/- 0.03, and 0.04 +/- 0.2 microM(-1) x

  6. 飓风作用下某大跨体育馆屋盖的结构选型分析%ANALYSES OF STRUCTURAL TYPE SELECTION FOR THE LONG-SPAN ROOF OF A GYMNASIUM CONSIDERING HURRICANE

    Institute of Scientific and Technical Information of China (English)

    李布辉; 张大长; 包涛

    2012-01-01

    Analyses of structural form selection of a gymnasium in the Philippines were carried out. The maximum wind speed for design is 215 km/h, the wind force is 17 level and it belongs to hurricane. Therefore, the designs of long-span roof become especially difficult. The lower natatorium roof was used to be the top roof' s supports and stand. The top roof was a long-span space steel truss structure which had a span dimension of 130. 0 m ×31.0 m. Considering the characteristics such as roof being large span and its overall structure being stiper-long, the plane pipe truss was used in top roof and the spatial triangle pipe truss structure was used in the lower roof and stands. Due to comparison and selection of different structure schemes, pipe truss structure, space truss structure set with pulling up and down prestressed cable, space truss structure with pulling up prestressed cable and self-balance steel-tube filled with concrete were selected. Analyses models were built and the nonlinear analyses were performed. Structural deflection, members dimension, structural materials, and construction difficuhies were investigated, it was found that scheme 3 had a good economy and structural performance, which was suitable for long-span structures under hurricane. The research results can be referel3ced by designing other similar long-span structures.%菲律宾某地最大设计风速达到215 km/h,风力17级,属于飓风,因此大跨屋盖的结构设计异常困难。该地的某大跨体育馆的下层屋盖为游泳馆屋盖,并作为上层屋盖的支承点和看台;上层屋盖为大跨度空间钢桁架结构,屋盖东西长为130.0 m,南北宽为31.0 m。考虑屋盖跨度大、整体结构超长的特点,上层屋盖采用平面管桁架形式,下侧游泳馆屋面及看台采用空间三角管桁架结构。基于屋盖结构方案的可行性比选,选取普通框架管桁架结构、斜拉空间桁架、斜拉空间桁架加配重3种方案,进行结构整体建

  7. Molecular structure, tautomeric stability, protonation and deprotonation effects, vibrational, NMR and NBO analyses of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA) by quantum chemical calculations.

    Science.gov (United States)

    Sridevi, C; Velraj, G

    2014-01-01

    This study represents the conformation, tautomeric stability, protonation and deprotonation effects, vibrational, electronic, NBO and NMR aspects of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA). Theoretical calculations were performed by ab initio HF and density functional theory (DFT)/B3LYP method using 6-311++G(d,p) basis sets. Tautomerism and the effect of solvent on the tautomeric equilibria in the gas phase and in different solvents were studied. The protonation and deprotonation effects on the reactivity and conformations of DOIAA were investigated. Electronic transitions were also studied and the most prominent transition corresponds to π→π*. Natural bond orbital (NBO) analysis was also carried out to find the intramolecular interactions and their stabilization energy. In DOIAA, the interaction between the lone pair donor orbital (n(LP1N5)) and the acceptor antibonding orbital π*(C6O7) reveals the strong stabilization energy of 224.9 kJ mol(-1). Molecular electrostatic potential (MEP) was calculated to predict the reactive sites of the title compound. The NMR results indicated that the observed chemical shifts for NH, COOH protons of DOIAA not only depend on the structure of the molecule being studied but also on the nature of the solvent, concentration of the sample and the presence of the other exchangeable protons.

  8. Integrating facies and structural analyses with subsidence history in a Jurassic-Cretaceous intraplatform basin: Outcome for paleogeography of the Panormide Southern Tethyan margin (NW Sicily, Italy)

    Science.gov (United States)

    Basilone, Luca; Sulli, Attilio; Gasparo Morticelli, Maurizio

    2016-06-01

    We illustrate the tectono-sedimentary evolution of a Jurassic-Cretaceous intraplatform basin in a fold and thrust belt present setting (Cala Rossa basin). Detailed stratigraphy and facies analysis of Upper Triassic-Eocene successions outcropping in the Palermo Mts (NW Sicily), integrated with structural analysis, restoration and basin analysis, led to recognize and describe into the intraplatform basin the proximal and distal depositional areas respect to the bordered carbonate platform sectors. Carbonate platform was characterized by a rimmed reef growing with progradational trends towards the basin, as suggested by the several reworked shallow-water materials interlayered into the deep-water succession. More, the occurrence of thick resedimented breccia levels into the deep-water succession suggests the time and the characters of synsedimentary tectonics occurred during the Late Jurassic. The study sections, involved in the building processes of the Sicilian fold and thrust belt, were restored in order to obtain the original width of the Cala Rossa basin, useful to reconstruct the original geometries and opening mechanisms of the basin. Basin analysis allowed reconstructing the subsidence history of three sectors with different paleobathymetry, evidencing the role exerted by tectonics in the evolution of the narrow Cala Rossa basin. In our interpretation, a transtensional dextral Lower Jurassic fault system, WNW-ESE (present-day) oriented, has activated a wedge shaped pull-apart basin. In the frame of the geodynamic evolution of the Southern Tethyan rifted continental margin, the Cala Rossa basin could have been affected by Jurassic transtensional faults related to the lateral westward motion of Africa relative to Europe.

  9. Active site specificity profiling of the matrix metalloproteinase family: Proteomic identification of 4300 cleavage sites by nine MMPs explored with structural and synthetic peptide cleavage analyses.

    Science.gov (United States)

    Eckhard, Ulrich; Huesgen, Pitter F; Schilling, Oliver; Bellac, Caroline L; Butler, Georgina S; Cox, Jennifer H; Dufour, Antoine; Goebeler, Verena; Kappelhoff, Reinhild; Keller, Ulrich Auf dem; Klein, Theo; Lange, Philipp F; Marino, Giada; Morrison, Charlotte J; Prudova, Anna; Rodriguez, David; Starr, Amanda E; Wang, Yili; Overall, Christopher M

    2016-01-01

    Secreted and membrane tethered matrix metalloproteinases (MMPs) are key homeostatic proteases regulating the extracellular signaling and structural matrix environment of cells and tissues. For drug targeting of proteases, selectivity for individual molecules is highly desired and can be met by high yield active site specificity profiling. Using the high throughput Proteomic Identification of protease Cleavage Sites (PICS) method to simultaneously profile both the prime and non-prime sides of the cleavage sites of nine human MMPs, we identified more than 4300 cleavages from P6 to P6' in biologically diverse human peptide libraries. MMP specificity and kinetic efficiency were mainly guided by aliphatic and aromatic residues in P1' (with a ~32-93% preference for leucine depending on the MMP), and basic and small residues in P2' and P3', respectively. A wide differential preference for the hallmark P3 proline was found between MMPs ranging from 15 to 46%, yet when combined in the same peptide with the universally preferred P1' leucine, an unexpected negative cooperativity emerged. This was not observed in previous studies, probably due to the paucity of approaches that profile both the prime and non-prime sides together, and the masking of subsite cooperativity effects by global heat maps and iceLogos. These caveats make it critical to check for these biologically highly important effects by fixing all 20 amino acids one-by-one in the respective subsites and thorough assessing of the inferred specificity logo changes. Indeed an analysis of bona fide MEROPS physiological substrate cleavage data revealed that of the 37 natural substrates with either a P3-Pro or a P1'-Leu only 5 shared both features, confirming the PICS data. Upon probing with several new quenched-fluorescent peptides, rationally designed on our specificity data, the negative cooperativity was explained by reduced non-prime side flexibility constraining accommodation of the rigidifying P3 proline with

  10. Infrared and X-ray Absorption Near Edge Structure Spectroscopy Analyses of the Titan Haze Simulation (THS) Aerosols Produced at Low Temperature (200 K)

    Science.gov (United States)

    Sciamma-O'Brien, Ella; Salama, Farid

    2016-10-01

    We present our latest results on the Titan Haze Simulation (THS) experiment developed on the COSmIC simulation chamber at NASA Ames. In Titan's atmosphere, a complex organic chemistry induced by UV radiation and electron bombardment occurs between N2 and CH4 and leads to the production of larger molecules and solid aerosols. In the THS, Titan's chemistry is simulated by pulsed plasma in the stream of a supersonic expansion, at Titan-like temperature (200 K). The residence time of the gas in the pulsed plasma discharge is ~3 µs, hence the chemistry is truncated allowing us to probe the first and intermediate steps of the chemistry, by adding heavier precursors into the initial N2-CH4 gas mixture. Experiments have been performed in different gas mixtures from the simpler N2-CH4 (98:2 and 95:5), to more complex mixtures: N2-CH4-C2H2 (91:5:4 and 94.5:5:0.5), N2-CH4-C6H6 (90:5:5) and N2-CH4-C2H2-C6H6 (86:5:4:5). Both the gas and solid phases have been analyzed using a combination of in situ and ex situ diagnostics.A recent mass spectrometry analysis of the gas phase demonstrated that the THS is a unique tool to monitor the different steps of the N2-CH4 chemistry [1]. The results of the solid phase study are consistent with the chemical growth evolution observed in the gas phase. The solid phase products are in the form of grains produced in volume and not from interaction on the substrate's surface. Scanning Electron Microscopy images have shown that more complex mixtures produce larger aggregates (100-500 nm in N2-CH4, up to 5 µm in N2-CH4-C2H2-C6H6). Moreover, the morphology of the grains seems to depend on the precursors, a finding that could have an impact on Titan haze microphysical models. We will present the latest results of the infrared and x-ray absorption near edge structure spectroscopic measurements that have been performed on all four mixtures. These results provide information on the nature of the different functional groups present in our samples as

  11. Theoretical analyses of the elastic and electronic properties of InAs QDs and QD-in-WELL structures grown on GaAs high index substrates

    Energy Technology Data Exchange (ETDEWEB)

    Bennour, M., E-mail: mnbnnr@gmail.com [Micro-Optoelectronic and Nanostructures Laboratory, Department of Physics, Faculty of Sciences, Monastir University, Environment Street, 5019 Monastir (Tunisia); Bouzaiene, L.; Saidi, F. [Micro-Optoelectronic and Nanostructures Laboratory, Department of Physics, Faculty of Sciences, Monastir University, Environment Street, 5019 Monastir (Tunisia); Sfaxi, L. [Micro-Optoelectronic and Nanostructures Laboratory, Sousse University (Tunisia); Maaref, H. [Micro-Optoelectronic and Nanostructures Laboratory, Department of Physics, Faculty of Sciences, Monastir University, Environment Street, 5019 Monastir (Tunisia)

    2015-10-25

    We report a theoretical study of the wetting layer thickness, In{sub x}Ga{sub (1−x)}As quantum-well thickness and Indium composition effects on the physical properties of InAs quantum dots (QDs) and quantum dots-in-well (QD-in-WELL) grown on GaAs high index substrates. Finite element method is used to calculate the strain, piezoelectric field distributions and the electronic structure. Coulomb interaction has been taken as a perturbation in the interband transition energy. The ground–state transition energy is influenced by the wetting layer thickness (WL) and the substrate orientation; however, it is not affected by the InGaAs quantum-well thickness. We have found that the tensile strain at the interface is the main factor responsible for the difficulty of self-assembled InAs QDs formation on GaAs(111) substrate. On the other hand, the stability of the relaxed strain into QD–IN–WELL depended on the Indium composition and the quantum-well thickness as well as the orientation substrate. The appropriate Indium composition in the InGaAs quantum-well is found to be 0.3 for the QD–IN–WELL grown on GaAs(111) and 0.2 for the QD–IN–WELL grown on GaAs(119). This work can be helpful to controlling the wavelength of QD–IN–WELL grown on high index substrates by changing the In composition or the quantum well-thickness. - Graphical abstract: The piezoelectric field was found to be more important in large QD than that of small QD which contribute to a little blue shift between small and large QD, when the substrate disorientation increased from (119) to (111). - Highlights: • Finite element method used to calculate strain, piezoelectric field and energy gap. • Physical properties of InAs/GaAs(11n) QDs and InGaAs/InAs/InGaAs/GaAs(11n) QD-in Well. • Stability of relaxed strain into quantum dots and quantum dots-in-well was discussed. • Tensile strain interface is responsible of difficulty self-assembled InAs/GaAs(111)QD.

  12. Anatomical Structure Analyses of Secondary Xylem of Quercus mongolica%蒙古栎次生木质部解剖结构分析

    Institute of Scientific and Technical Information of China (English)

    赵西平; 张超男; 刘高均; 梁芳; 李伟丽; 吴珍

    2013-01-01

    运用木材解剖图像分析系统和显微照相的方法对蒙古栎次生木质部的解剖结构进行观察分析。结果表明,蒙古栎的次生木质部由导管、环管管胞、木纤维、木射线及轴向薄壁细胞组成;蒙古栎在个体发育过程中,树根和树枝的管状分子明显较树干窄小,在分布规律和形态上,也有显著差异。对蒙古栎次生木质部离析发现,蒙古栎为单穿孔,管间纹孔式互列,导管分子类型多为两端具尾,长度大于宽度,这种现象表明蒙古栎在进化过程中是不同步的。%The anatomical structure of the secondary xylem of Quercus mongolica tree species was observed and analyzed by means of applying timber image analysis system and photomicrography observation method.The obser-vation showed that the secondary xylem of Q.mongolica was composed of duct,ring tube tracheid wood fiber,wood ray and axial parenchyma cells.In the ontogenetic process of Q.mongolica,the size of tubular molecules of roots and branches was significantly smaller than that of the trunk,and there were significant differences in the morpholo-gy and distribution of these molecules.The segregation of secondary xylem showed that Q.mongolica was single perforation,pitting tube between each row,majority of the ducts were in the form with a tail at both ends,and the length of the ducts was greater than the width.This phenomenon showed that the evolutionary process of Q.mon-golica was not synchronized.

  13. Sproglig Metode og Analyse

    DEFF Research Database (Denmark)

    le Fevre Jakobsen, Bjarne

    Publikationen indeholder øvematerialer, tekster, powerpointpræsentationer og handouts til undervisningsfaget Sproglig Metode og Analyse på BA og tilvalg i Dansk/Nordisk 2010-2011......Publikationen indeholder øvematerialer, tekster, powerpointpræsentationer og handouts til undervisningsfaget Sproglig Metode og Analyse på BA og tilvalg i Dansk/Nordisk 2010-2011...

  14. Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr–H Bonds

    Energy Technology Data Exchange (ETDEWEB)

    van der Eide, Edwin F.; Helm, Monte L.; Walter, Eric D.; Bullock, R. Morris

    2013-02-04

    The 17-electron radical CpCr(CO)2(IMe)• (IMe = 1,3-dimethylimidazol-2-ylidene) was synthesized by the reaction of IMe with [CpCr(CO)3]2, and characterized by single crystal X-ray diffraction and by EPR, IR and variable temperature 1H NMR spectroscopy. The metal-centered radical is monomeric under all conditions and exhibits Curie paramagnetic behavior in solution. An electrochemically reversible reduction to 18-electron CpCr(CO)2(IMe)- takes place at E½ = -1.89(1) V vs Cp2Fe+•/0 in MeCN, and was accomplished chemically with KC8 in THF. The salts K+(18-crown-6)[CpCr(CO)2(IMe)]- • ½THF and K+[CpCr(CO)2(IMe)]- • ¾THF were crystallographically characterized. Monomeric ion pairs are found in the former, whereas the latter has a polymeric structure due to a network of K∙∙∙O(CO) interactions. Protonation of K+(18-crown-6)[CpCr(CO)2(IMe)]- • ½THF gives the hydride CpCr(CO)2(IMe)H, which could not be isolated, but was characterized in solution; a pKa of 27.2(4) was determined in MeCN. A thermochemical analysis provides the Cr-H bond dissociation free energy (BDFE) for CpCr(CO)2(IMe)H in MeCN solution as 47.3(6) kcal mol-1. This value is exceptionally low for a transition metal hydride, and implies that the reaction 2 [Cr-H] → 2 [Cr•] + H2 is exergonic (ΔG = -9.0(8) kcal mol-1). This analysis explains the experimental observation that generated solutions of the hydride produce CpCr(CO)2(IMe)• (typically on the timescale of days). By contrast, CpCr(CO)2(PCy3)H has a higher Cr-H BDFE (52.9(4) kcal mol-1), is more stable with respect to H2 loss, and is isolable. We thank the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences for support. M.L.H. carried out the crystallographic studies and was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic

  15. Analysis of self-organized In(Ga)As quantum structures with the scanning transmission electron microscope; Analyse selbstorganisierter In(Ga)As-Quantenstrukturen mit dem Raster-Transmissionselektronenmikroskop

    Energy Technology Data Exchange (ETDEWEB)

    Sauerwald, Andres

    2008-05-27

    Aim of this thesis was to apply the analytical methods of the scanning transmission electron microscopy to the study of self-organized In(Ga)As quantum structures. With the imaging methods Z contrast and bright field (position resolutions in the subnanometer range) and especially with the possibilities of the quantitative chemical EELS analysis of the scanning transmission electron microscope (STEM) fundamental questions concerning morphology and chemical properties of self-organized quantum structures should be answered. By the high position resolution of the STEM among others essentail morphological and structural parameters in the growth behaviour of 'dot in a well' (DWell) structures and of vertically correlated quantum dots (QDs) could be analyzed. For the optimization of DWell structures samples were studied, the nominal InAs-QD growth position was directedly varied within the embedding InGaAs quantum wells. The STEM offers in connection with the EELS method a large potential for the chemical analysis of quantum structures. Studied was a sample series of self-organized InGaAs/GaAs structures on GaAs substrate, the stress of which was changed by varying the Ga content of the INGaAs material between 2.4 % and 4.3 %. [German] Ziel dieser Arbeit war es, die analytischen Methoden der Raster-Transmissionselektronenmikroskopie zur Untersuchung selbstorganisierter In(Ga)As-Quantenstrukturen anzuwenden. Mit den abbildenden Methoden Z-Kontrast und Hellfeld (Ortsaufloesungen im Subnanometerbereich) und insbesondere mit den Moeglichkeiten der quantitativen chemischen EELS-Analyse des Raster-Transmissionselektronenmikroskops (RTEMs) sollten grundsaetzliche Fragestellungen hinsichtlich der Morphologie und der chemischen Eigenschaften selbstorganisierter Quantenstrukturen beantwortet werden. Durch die hohe Ortsaufloesung des RTEMs konnten u.a. essentielle morphologische und strukturelle Parameter im Wachstumsverhalten von 'Dot in a Well

  16. Stability analyses of single arch in arch-reticulated shell hybrid steel structure of Beijing Jiangtai Winter Garden%北京将台花园拱壳杂交钢结构的单拱稳定性分析

    Institute of Scientific and Technical Information of China (English)

    石永久; 高阳; 王元清; 施刚; 卢凯; 任景峰

    2013-01-01

    对于大跨度空间钢结构而言,整体稳定分析不可忽略.北京将台商务中心冬季花园采用网壳与拉索杂交结构,玻璃幕墙固定于拉索上.其中网壳部分由9榀空间钢拱和普通壳体杆件组成,可以看作拱壳杂交结构.本文选取了结构中跨度最长的单榀拱结构进行稳定分析,包括特征值屈曲分析及非线性全过程分析.结果表明,单拱的稳定承载力满足要求,非线性对单榀结构的稳定性能有较大影响.此外,尽管几何初始缺陷对弹性结构的稳定性能有一定影响,但对弹塑性结构的稳定性能影响不大.%Global stability analysis cannot be ignored for large-span spatial steel structures. Beijing Jiangtai Winter Garden adopts hybrid structure with latticed shell and vertical cables,on which glass curtain wall is fixed. Therein the reticulated shell is composed of 9 spatial arches and other common frames,thus it can be seen as arch-reticulated shell hybrid structure. This paper analyzed the stability of one single arch structure which has the longest span in the whole structure, including buckling analyses and non-linear full range analyses. The results showed that the stability of single arch met requirements, and the nonlinearity had great influence on the stability of single arch structure. Besides, although the initial geometric imperfection had certain effect on the elastic structure, it had little effect on the elasto-plastic one.

  17. Department of Energy's team's analyses of Soviet designed VVERs

    Energy Technology Data Exchange (ETDEWEB)

    1989-09-01

    This document provides Appendices A thru K of this report. The topics discussed respectively are: radiation induced embrittlement and annealing of reactor pressure vessel steels; loss of coolant accident blowdown analyses; LOCA blowdown response analyses; non-seismic structural response analyses; seismic analyses; S'' seal integrity; reactor transient analyses; fire protection; aircraft impacts; and boric acid induced corrosion. (FI).

  18. Click one pot synthesis, spectral analyses, crystal structures, DFT studies and brine shrimp cytotoxicity assay of two newly synthesized 1,4,5-trisubstituted 1,2,3-triazoles

    Science.gov (United States)

    Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Ayub, Khurshid; Mahmood, Tariq; Tahir, M. Nawaz; Khan, Bilal Ahmad; Hafeez, Muhammad; Ahmed, Madiha; ul-Haq, Ihsan

    2016-02-01

    Methyl-2-(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate (1) and ethyl-2-(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate (2) were synthesized by one pot three component strategy, and characterized by FT-IR, NMR (1H and 13C) spectroscopy and TOF-MS spectrometry. Finally, the structures were unequivocally confirmed by single crystal X-ray diffraction analyses. Both compounds, 1 and 2 exist in monoclinic crystal packing having space group P21/n and P21/c, respectively. Crystal structures investigations revealed that the molecular structures of the title compounds are stabilized by weak intermolecular hydrogen bonding interactions to form dimers. Density functional theory (DFT) calculations were performed not only to compare with the experimental spectroscopic results but also to probe structural properties. The molecular electrostatic potential (MEP) mapped over the entire stabilized geometries of the molecules delivered information about the electrophilic and nucleophilic sites. Furthermore, frontier molecular orbital analysis gave the idea about stability and reactivity of compounds. Both compounds were also screened for brine shrimp cytotoxicity assay.

  19. Analyses of Concrete Structures Exposed to Fire

    DEFF Research Database (Denmark)

    Hertz, Kristian

    bending capacity of beams and slabs, the ultimate shear capacity of beams, for the instability of columns and walls and for the deflection of prestressed and non-prestressed beams, slabs, walls and columns.All methods have been derived and compared to tests by Kristian Hertz....

  20. Analyses of the cell-wall peptidoglycan structures in three genera Micromonospora, Catenuloplanes, and Couchioplanes belonging to the family Micromonosporaceae by derivatization with FDLA and PMP using LC/MS.

    Science.gov (United States)

    Také, Akira; Nakashima, Takuji; Inahashi, Yuki; Shiomi, Kazuro; Takahashi, Yōko; Ōmura, Satoshi; Matsumoto, Atsuko

    2016-09-12

    It is the major characteristic of the cell-wall peptidoglycan structure in members of the family Micromonosporaceae that N-acetylmuramic acid (MurNAc) of glycan strand is replaced with N-glycolylmuramic acid (MurNGlyc). Consequently, it is difficult to use enzymatic methods for their peptidoglycan analyses. We therefore developed analysis method of peptidoglycan without using cell wall lytic enzymes as example to take the 3 genera, Micromonospora, Catenuloplanes, and Couchioplanes belonging to the family Micromonosporaceae, and their peptidoglycans were partially hydrolyzed with 4 M HCl at 60°C for 16 h followed by derivatization with N(α)-(5-fluoro-2,4-dinitrophenyl)-D-leucinamide (FDLA) or 1-phenyl-3-methyl-5-pyrazolone (PMP) and LC/MS analysis. Peptidoglycan of the genus Micromonospora consisted of a MurNGlyc-Gly-D-Glu-meso-diaminopimelyl (DAP)-D-Ala peptide stem and direct linkage between D-Ala and meso-DAP. In contrast, peptidoglycans of the genera Catenuloplanes and Couchioplanes consisted of a MurNGlyc-Gly-D-Glu-L-Lys-D-Ala peptide stem, and cross-linkage between D-Ala and L-Lys was mediated by an L-Ser residue. This method can be used to analyze the cell-wall peptidoglycan structure of other bacteria as well. By derivatization with FDLA or PMP followed by LC/MS analysis, the structure can be determined using only 0.2 mg of purified peptidoglycan.

  1. Laser Beam Focus Analyser

    DEFF Research Database (Denmark)

    Nielsen, Peter Carøe; Hansen, Hans Nørgaard; Olsen, Flemming Ove

    2007-01-01

    The quantitative and qualitative description of laser beam characteristics is important for process implementation and optimisation. In particular, a need for quantitative characterisation of beam diameter was identified when using fibre lasers for micro manufacturing. Here the beam diameter limits...... the obtainable features in direct laser machining as well as heat affected zones in welding processes. This paper describes the development of a measuring unit capable of analysing beam shape and diameter of lasers to be used in manufacturing processes. The analyser is based on the principle of a rotating...... mechanical wire being swept through the laser beam at varying Z-heights. The reflected signal is analysed and the resulting beam profile determined. The development comprised the design of a flexible fixture capable of providing both rotation and Z-axis movement, control software including data capture...

  2. Structure analyses using X-ray photoelectron spectroscopy and X-ray absorption near edge structure for amorphous MS3 (M: Ti, Mo) electrodes in all-solid-state lithium batteries

    Science.gov (United States)

    Matsuyama, Takuya; Deguchi, Minako; Mitsuhara, Kei; Ohta, Toshiaki; Mori, Takuya; Orikasa, Yuki; Uchimoto, Yoshiharu; Kowada, Yoshiyuki; Hayashi, Akitoshi; Tatsumisago, Masahiro

    2016-05-01

    Electronic structure changes of sulfurs in amorphous TiS3 and MoS3 for positive electrodes of all-solid-state lithium batteries are examined by X-ray photoelectron spectroscopy (XPS) and the X-ray absorption near edge structure (XANES). The all-solid-state cell with amorphous TiS3 electrode shows the reversible capacity of about 510 mAh g-1 for 10 cycles with sulfur-redox in amorphous TiS3 during charge-discharge process. On the other hand, the cell with amorphous MoS3 shows the 1st reversible capacity of about 720 mAh g-1. The obtained capacity is based on the redox of both sulfur and molybdenum in amorphous MoS3. The irreversible capacity of about 50 mAh g-1 is observed at the 1st cycle, which is attributed to the irreversible electronic structure change of sulfur during the 1st cycle. The electronic structure of sulfur in amorphous MoS3 after the 10th charge is similar to that after the 1st charge. Therefore, the all-solid-state cell with amorphous MoS3 electrode shows relatively good cyclability after the 1st cycle.

  3. Rock Properties and Internal Structure of the San Andreas Fault near ~ 3 km Depth in the SAFOD Borehole Based on Meso- to Micro-scale Analyses of Phase III whole rock core

    Science.gov (United States)

    Bradbury, K.; Evans, J. P.

    2010-12-01

    We examine the relationships between rock properties and structure within ~ 41 m of PHASE III whole-rock core collected from ~ 3 km depth along the SAF in the San Andreas Fault Observatory at Depth (SAFOD) borehole, near Parkfield, CA. Direct mesoscale observations of the core are integrated with detailed petrography and microstructural analyses coupled with X-Ray Diffraction and X-Ray Fluorescence techniques to document variations in composition, alteration, and structures that may be related to deformation and/or fluid-rock interactions. Across the low velocity zone (LVZ) defined by borehole geophysical data, lithologies are comprised of a heterogeneous sequence of fine-grained sandstones, siltstones, mudstones, and shales with block-in-matrix textures and pervasively foliated fabrics. More competent clasts within the block-in-matrix materials exhibit pinch-and-swell shaped structures with crosscutting veins that do not extend into the surrounding phyllosilicate-rich matrix. Narrow fault strands at 3192 and 3302 m bound the LVZ and correspond to sites of active casing deformation (aseismic creep). Here, the rock consists of ~ 2 m thick serpentinite-bearing phyllosilicate gouge with a pervasive penetrative scaly clay fabric and phacoidal-shaped clasts. Bounding these two active slip surfaces are highly sheared and comminuted ultrafine-grained black fault rocks with abundant calcite veins parallel and oblique to the foliation trend. Localized shear surfaces bound multi-layered zones of medium to ultra-fine grained cataclasite in the near-fault environment and record multiple generations of brittle deformation processes. Deformation at high-strain rates is suggested by the presence of crack-seal veins in clasts within the block-in-matrix materials, the presence of porphyroclasts, and the development of S-C fabrics in the phyllosilicate-rich gouge. Across the fault(s) and related damage zones, foliated fabrics alternating with discrete fractures suggest a mixed

  4. Wavelet Analyses and Applications

    Science.gov (United States)

    Bordeianu, Cristian C.; Landau, Rubin H.; Paez, Manuel J.

    2009-01-01

    It is shown how a modern extension of Fourier analysis known as wavelet analysis is applied to signals containing multiscale information. First, a continuous wavelet transform is used to analyse the spectrum of a nonstationary signal (one whose form changes in time). The spectral analysis of such a signal gives the strength of the signal in each…

  5. Report sensory analyses veal

    NARCIS (Netherlands)

    Veldman, M.; Schelvis-Smit, A.A.M.

    2005-01-01

    On behalf of a client of Animal Sciences Group, different varieties of veal were analyzed by both instrumental and sensory analyses. The sensory evaluation was performed with a sensory analytical panel in the period of 13th of May and 31st of May, 2005. The three varieties of veal were: young bull,

  6. Contesting Citizenship: Comparative Analyses

    DEFF Research Database (Denmark)

    Siim, Birte; Squires, Judith

    2007-01-01

    . Comparative citizenship analyses need to be considered in relation to multipleinequalities and their intersections and to multiple governance and trans-national organisinf. This, in turn, suggests that comparative citizenship analysis needs to consider new spaces in which struggles for equal citizenship occur...

  7. Meta-analyses

    NARCIS (Netherlands)

    Hendriks, M.A.; Luyten, J.W.; Scheerens, J.; Sleegers, P.J.C.; Scheerens, J.

    2014-01-01

    In this chapter results of a research synthesis and quantitative meta-analyses of three facets of time effects in education are presented, namely time at school during regular lesson hours, homework, and extended learning time. The number of studies for these three facets of time that could be used

  8. Analyses of a Virtual World

    CERN Document Server

    Holovatch, Yurij; Szell, Michael; Thurner, Stefan

    2016-01-01

    We present an overview of a series of results obtained from the analysis of human behavior in a virtual environment. We focus on the massive multiplayer online game (MMOG) Pardus which has a worldwide participant base of more than 400,000 registered players. We provide evidence for striking statistical similarities between social structures and human-action dynamics in the real and virtual worlds. In this sense MMOGs provide an extraordinary way for accurate and falsifiable studies of social phenomena. We further discuss possibilities to apply methods and concepts developed in the course of these studies to analyse oral and written narratives.

  9. Analysing Access Control Specifications

    DEFF Research Database (Denmark)

    Probst, Christian W.; Hansen, René Rydhof

    2009-01-01

    . Recent events have revealed intimate knowledge of surveillance and control systems on the side of the attacker, making it often impossible to deduce the identity of an inside attacker from logged data. In this work we present an approach that analyses the access control configuration to identify the set......When prosecuting crimes, the main question to answer is often who had a motive and the possibility to commit the crime. When investigating cyber crimes, the question of possibility is often hard to answer, as in a networked system almost any location can be accessed from almost anywhere. The most...... of credentials needed to reach a certain location in a system. This knowledge allows to identify a set of (inside) actors who have the possibility to commit an insider attack at that location. This has immediate applications in analysing log files, but also nontechnical applications such as identifying possible...

  10. Biomass feedstock analyses

    Energy Technology Data Exchange (ETDEWEB)

    Wilen, C.; Moilanen, A.; Kurkela, E. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1996-12-31

    The overall objectives of the project `Feasibility of electricity production from biomass by pressurized gasification systems` within the EC Research Programme JOULE II were to evaluate the potential of advanced power production systems based on biomass gasification and to study the technical and economic feasibility of these new processes with different type of biomass feed stocks. This report was prepared as part of this R and D project. The objectives of this task were to perform fuel analyses of potential woody and herbaceous biomasses with specific regard to the gasification properties of the selected feed stocks. The analyses of 15 Scandinavian and European biomass feed stock included density, proximate and ultimate analyses, trace compounds, ash composition and fusion behaviour in oxidizing and reducing atmospheres. The wood-derived fuels, such as whole-tree chips, forest residues, bark and to some extent willow, can be expected to have good gasification properties. Difficulties caused by ash fusion and sintering in straw combustion and gasification are generally known. The ash and alkali metal contents of the European biomasses harvested in Italy resembled those of the Nordic straws, and it is expected that they behave to a great extent as straw in gasification. Any direct relation between the ash fusion behavior (determined according to the standard method) and, for instance, the alkali metal content was not found in the laboratory determinations. A more profound characterisation of the fuels would require gasification experiments in a thermobalance and a PDU (Process development Unit) rig. (orig.) (10 refs.)

  11. AMS analyses at ANSTO

    Energy Technology Data Exchange (ETDEWEB)

    Lawson, E.M. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia). Physics Division

    1998-03-01

    The major use of ANTARES is Accelerator Mass Spectrometry (AMS) with {sup 14}C being the most commonly analysed radioisotope - presently about 35 % of the available beam time on ANTARES is used for {sup 14}C measurements. The accelerator measurements are supported by, and dependent on, a strong sample preparation section. The ANTARES AMS facility supports a wide range of investigations into fields such as global climate change, ice cores, oceanography, dendrochronology, anthropology, and classical and Australian archaeology. Described here are some examples of the ways in which AMS has been applied to support research into the archaeology, prehistory and culture of this continent`s indigenous Aboriginal peoples. (author)

  12. 新疆地区国内旅游流空间结构分析研究%Study on Analysing National Tourist Flow Spacial Structure of Xinjiang Area

    Institute of Scientific and Technical Information of China (English)

    王亚奇; 杨涵

    2011-01-01

    旅游流空间结构是旅游地理学研究的重要内容之一.国内旅游市场是新疆旅游业的基础,本文从客源地和目的地的角度出发,结合旅游流的三个基本特征(时间、流向、流量特征)及其空间属性,从旅游流的流量分布、旅游流流向空间结构和旅游流流源空间结构三个方面进行分析,提出了新疆国内旅游市场发展的对策,对确定地域旅游开发的特色与方向、优化旅游区间的功能配置、制定旅游发展战略有着重要的指导意义.%Tourist flow spacial structure is one of the important contents in tourism geography study, and national tourist flow is the foundation of Xinjang tourism. This paper based on view of the source and destination, combining the three basic features(tourism time, flow destination, flow characteristics)of the tourist flow and its attributes of space, analyses the flow of tourist distribution, tourism flow destination and the flow of source of Xinjiang national tourist flow spacial structure, then puts forward the countermeasure about national tourist markets in Xinjiang. The results obtained in this paper are of significance for the development of regional tourism, the determination of the characteristics and direction of tourism exploitation , the optimization of tourism interzone function collocation and the establishing of tourism development strategy.

  13. Interaction of vanadium (IV) solvates (L) with second-generation fluoroquinolone antibacterial drug ciprofloxacin: Spectroscopic, structure, thermal analyses, kinetics and biological evaluation (L = An, DMF, Py and Et3N)

    Science.gov (United States)

    Zordok, Wael A.

    2014-08-01

    The preparation and characterization of the new solid complexes [VO(CIP)2L]SO4ṡnH2O, where L = aniline (An), dimethylformamide (DMF), pyridine (Py) and triethylamine (Et3N) in the reaction of ciprofloxacin (CIP) with VO(SO4)2·2H2O in ethanol. The isolated complexes have been characterized with their melting points, elemental analysis, IR spectroscopy, magnetic properties, conductance measurements, UV-Vis. and 1H NMR spectroscopic methods and thermal analyses. The results supported the formation of the complexes and indicated that ciprofloxacin reacts as a bidentate ligand bound to the vanadium ion through the pyridone oxygen and one carboxylato oxygen. The activation energies, E*; entropies, ΔS*; enthalpies, ΔH*; Gibbs free energies, ΔG*, of the thermal decomposition reactions have been derived from thermo gravimetric (TGA) and differential thermo gravimetric (DTG) curves, using Coats-Redfern and Horowitz-Metzeger methods. The lowest energy model structure of each complex has been proposed by using the density functional theory (DFT) at the B3LYP/CEP-31G level of theory. The ligand and their metal complexes were also evaluated for their antibacterial activity against several bacterial species, such as Bacillus Subtilis (B. Subtilis), Staphylococcus aureus (S. aureus), Nesseria Gonorrhoeae (N. Gonorrhoeae), Pseudomonas aeruginosa (P. aeruginosa) and Escherichia coli (E. coli).

  14. EEG analyses with SOBI.

    Energy Technology Data Exchange (ETDEWEB)

    Glickman, Matthew R.; Tang, Akaysha (University of New Mexico, Albuquerque, NM)

    2009-02-01

    The motivating vision behind Sandia's MENTOR/PAL LDRD project has been that of systems which use real-time psychophysiological data to support and enhance human performance, both individually and of groups. Relevant and significant psychophysiological data being a necessary prerequisite to such systems, this LDRD has focused on identifying and refining such signals. The project has focused in particular on EEG (electroencephalogram) data as a promising candidate signal because it (potentially) provides a broad window on brain activity with relatively low cost and logistical constraints. We report here on two analyses performed on EEG data collected in this project using the SOBI (Second Order Blind Identification) algorithm to identify two independent sources of brain activity: one in the frontal lobe and one in the occipital. The first study looks at directional influences between the two components, while the second study looks at inferring gender based upon the frontal component.

  15. Thermal Analyse sof Cross-Linked Polyethylene

    Directory of Open Access Journals (Sweden)

    Radek Polansky

    2007-01-01

    Full Text Available The paper summarizes results obtained during the structural analyses measurements (Differential Scanning Calorimetry DSC, Thermogravimetry TG, Thermomechanical analysis TMA and Fourier transform infrared spectroscopy FT-IR. The samples of cross-linked polyethylene cable insulation were tested via these analyses. The DSC and TG were carried out using simultaneous thermal analyzer TA Instruments SDT Q600 with connection of Fourier transform infrared spectrometer Nicolet 380. Thermomechanical analysis was carried out by TMA Q400EM TA Instruments apparatus.

  16. THOR Turbulence Electron Analyser: TEA

    Science.gov (United States)

    Fazakerley, Andrew; Moore, Tom; Owen, Chris; Pollock, Craig; Wicks, Rob; Samara, Marilia; Rae, Jonny; Hancock, Barry; Kataria, Dhiren; Rust, Duncan

    2016-04-01

    Turbulence Heating ObserveR (THOR) is the first mission ever flown in space dedicated to plasma turbulence. The Turbulence Electron Analyser (TEA) will measure the plasma electron populations in the mission's Regions of Interest. It will collect a 3D electron velocity distribution with cadences as short as 5 ms. The instrument will be capable of measuring energies up to 30 keV. TEA consists of multiple electrostatic analyser heads arranged so as to measure electrons arriving from look directions covering the full sky, i.e. 4 pi solid angle. The baseline concept is similar to the successful FPI-DES instrument currently operating on the MMS mission. TEA is intended to have a similar angular resolution, but a larger geometric factor. In comparison to earlier missions, TEA improves on the measurement cadence. For example, MMS FPI-DES routinely operates at 30 ms cadence. The objective of measuring distributions at rates as fast as 5 ms is driven by the mission's scientific requirements to resolve electron gyroscale size structures, where plasma heating and fluctuation dissipation is predicted to occur. TEA will therefore be capable of making measurements of the evolution of distribution functions across thin (a few km) current sheets travelling past the spacecraft at up to 600 km/s, of the Power Spectral Density of fluctuations of electron moments and of distributions fast enough to match frequencies with waves expected to be dissipating turbulence (e.g. with 100 Hz whistler waves).

  17. Analysing Java Identifier Names

    OpenAIRE

    Butler, Simon

    2016-01-01

    Identifier names are the principal means of recording and communicating ideas in source code and are a significant source of information for software developers and maintainers, and the tools that support their work. This research aims to increase understanding of identifier name content types - words, abbreviations, etc. - and phrasal structures - noun phrases, verb phrases, etc. - by improving techniques for the analysis of identifier names. The techniques and knowledge acquired can be appl...

  18. The formation and structure of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 6.4}: XRD Rietveld, Mössabuer and XPS analyses

    Energy Technology Data Exchange (ETDEWEB)

    Al-Rawas, A.D., E-mail: arawas@squ.edu.om [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman); Widatallah, H.M.; Al-Harthi, S.H. [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman); Johnson, C. [Chemistry Department, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom); Gismelseed, A.M.; Elzain, M.E.; Yousif, A.A. [Department of Physics, Sultan Qaboos University, P.O. Box 36, 123 Al-Khoud, Muscat (Oman)

    2015-05-15

    Highlights: • The formation of mechano-synthesized nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} is investigated. • Pre-milling the reactants substantially lowers the formation temperature. • The core and surface structures were studied. • XRD and {sup 57}Fe Mössbauer spectroscopic analyses indicate the δ-value to be 0.60. • XPS shows a complex surface structure for the mechanosynthesized Sr{sub 3}Fe{sub 2}O{sub 7−δ} nanoparticles. - Abstract: The influence of ball milling and subsequent sintering of a 3:1 molar mixture of SrCO{sub 3} and α-Fe{sub 2}O{sub 3} on the formation of Sr{sub 3}Fe{sub 2}O{sub 7−δ} double perovskite is investigated with different analytical techniques. Milling the mixture for 110 h leads to the formation of SrCO{sub 3}-α-Fe{sub 2}O{sub 3} nanocomposites and the structural deformation of α-Fe{sub 2}O{sub 3} via the incorporation of Sr{sup 2+} ions. Subsequent sintering of the pre-milled reactants’ mixture has led to the partial formation of an SrFeO{sub 3} perovskite-related phase in the temperature range 400–600 °C. This was followed by the progressive development of an Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase that continued to increase with increasing sintering temperature until a single-phased nanocrystalline Sr{sub 3}Fe{sub 2}O{sub 7−δ} phase was attained at 950 °C (12 h). This temperature is ∼350 °C lower than the temperature at which the material is prepared conventionally using the ceramic method. The evolution of different structural phases during the reaction process is discussed. Rietveld refinement of the X-ray diffraction data shows a value of 0.60 for the oxygen deficiency δ, in consistency with the Fe{sup 3+}/Fe{sup 4+} ratio derived from the {sup 57}Fe Mössbauer data recorded at both 300 K and 78 K. The Mössbauer data suggests that the Sr{sub 3}Fe{sub 2}O{sub 6.4} nanoparticles are superparamagnetic with blocking temperatures below 78 K. The surfaces of the Sr{sub 3}Fe{sub 2}O{sub 6

  19. Website-analyse

    DEFF Research Database (Denmark)

    Thorlacius, Lisbeth

    2009-01-01

    planlægning af de funktionelle og indholdsmæssige aspekter ved websites. Der findes en stor mængde teori- og metodebøger, som har specialiseret sig i de tekniske problemstillinger i forbindelse med interaktion og navigation, samt det sproglige indhold på websites. Den danske HCI (Human Computer Interaction...... hyperfunktionelle websites. Det primære ærinde for HCI-eksperterne er at udarbejde websites, som er brugervenlige. Ifølge deres direktiver skal websites være opbygget med hurtige og effektive navigations- og interaktionsstrukturer, hvor brugeren kan få sine informationer ubesværet af lange downloadingshastigheder...... eller blindgyder, når han/hun besøger sitet. Studier i design og analyse af de visuelle og æstetiske aspekter i planlægning og brug af websites har imidlertid kun i et begrænset omfang været under reflektorisk behandling. Det er baggrunden for dette kapitel, som indleder med en gennemgang af æstetikkens...

  20. Analysing the effect of stand density and site conditions on structure and growth of oak species using Nelder trials along an environmental gradient: experimental design, evaluation methods, and results

    Institute of Scientific and Technical Information of China (English)

    Enno; Uhl; Peter; Biber; Matthias; Ulbricht; Michael; Heym; Tamás; Horváth; Ferenc; Lakatos; Janós; Gál; Leonhard; Steinacker; Giustino; Tonon; Maurizio; Ventura; Hans; Pretzsch

    2015-01-01

    Background: Most current approaches in forest science and practice require information about structure and growth of individual trees rather than- or in addition to- sum and mean values of growth and yield at forest stand level as provided by classic experimental designs. By inventing the wheel design, Nelder provided the possibility to turn to the individual tree as basic information unit. Such trials provide valuable insights into the dependency of growth on stand density at particular sites.Methods: Here, we present an extension of the original design and evaluation by Nelder.(i) We established Nelder wheels along an environmental gradient through Europe in atlantic climate in Belgium and Germany, Mediterranean climate in Italy, continental climate in Hungary as well as on high land climate in Mexico. Such disjunct Nelder wheels along an environmental gradient can be regarded and analysed as a two-factor design with the factors of site condition and stand density.(ii) We present an advanced statistical approach to evaluate density dependent growth dynamics of trees planted in form of the Nelder design, which considers spatio-temporal autocorrelation.(iii)We prove the usefulness of the methods in improving ecological theory concerning density related productivity,trade-offs between facilitation and competition, and allometric relations between size variables.Results: First evaluations based on remeasured Nelder wheels in oak(Quercus robur L.) show a size growth differentiation during the first observation period. In particular, height growth is accelerated under higher competition indicating facilitation effects. We detect furthermore a high variability in allometric relations.Conclusions: The proposed design, methods, and results are discussed regarding their impact on forest practice,model building, and ecological theory. We conclude that the extended Nelder approach is highly efficient in providing currently lacking individual tree level information.

  1. Analysing the effect of crystal size and structure in highly efficient CH3NH3PbI3 perovskite solar cells by spatially resolved photo- and electroluminescence imaging.

    Science.gov (United States)

    Mastroianni, S; Heinz, F D; Im, J-H; Veurman, W; Padilla, M; Schubert, M C; Würfel, U; Grätzel, M; Park, N-G; Hinsch, A

    2015-12-14

    CH3NH3PbI3 perovskite solar cells with a mesoporous TiO2 layer and spiro-MeOTAD as a hole transport layer (HTL) with three different CH3NH3I concentrations (0.032 M, 0.044 M and 0.063 M) were investigated. Strong variations in crystal size and morphology resulting in diversified cell efficiencies (9.2%, 16.9% and 12.3%, respectively) were observed. The physical origin of this behaviour was analysed by detailed characterization combining current-voltage curves with photo- and electroluminescence (PL and EL) imaging as well as light beam induced current measurements (LBIC). It was found that the most efficient cell shows the highest luminescence and the least efficient cell is most strongly limited by non-radiative recombination. Crystal size, morphology and distribution in the capping layer and in the porous scaffold strongly affect the non-radiative recombination. Moreover, the very non-uniform crystal structure with multiple facets, as evidenced by SEM images of the 0.032 M device, suggests the creation of a large number of grain boundaries and crystal dislocations. These defects give rise to increased trap-assisted non-radiative recombination as is confirmed by high-resolution μ-PL images. The different imaging techniques used in this study prove to be well-suited to spatially investigate and thus correlate the crystal morphology of the perovskite layer with the electrical and radiative properties of the solar cells and thus with their performance.

  2. Analysing the effect of stand density and site conditions on structure and growth of oak species using Nelder trials along an environmental gradient: experimental design, evaluation methods, and results

    Directory of Open Access Journals (Sweden)

    Enno Uhl

    2015-05-01

    Full Text Available Background Most current approaches in forest science and practice require information about structure and growth of individual trees rather than - or in addition to - sum and mean values of growth and yield at forest stand level as provided by classic experimental designs. By inventing the wheel design, Nelder provided the possibility to turn to the individual tree as basic information unit. Such trials provide valuable insights into the dependency of growth on stand density at particular sites. Methods Here, we present an extension of the original design and evaluation by Nelder. (i We established Nelder wheels along an environmental gradient through Europe in atlantic climate in Belgium and Germany, Mediterranean climate in Italy, continental climate in Hungary as well as on high land climate in Mexico. Such disjunct Nelder wheels along an environmental gradient can be regarded and analysed as a two-factor design with the factors of site condition and stand density. (ii We present an advanced statistical approach to evaluate density dependent growth dynamics of trees planted in form of the Nelder design, which considers spatio-temporal autocorrelation. (iii We prove the usefulness of the methods in improving ecological theory concerning density related productivity, trade-offs between facilitation and competition, and allometric relations between size variables. Results First evaluations based on remeasured Nelder wheels in oak (Quercus roburL. show a size growth differentiation during the first observation period. In particular, height growth is accelerated under higher competition indicating facilitation effects. We detect furthermore a high variability in allometric relations. Conclusions The proposed design, methods, and results are discussed regarding their impact on forest practice, model building, and ecological theory. We conclude that the extended Nelder approach is highly efficient in providing currently lacking individual tree level

  3. Molecular ecological network analyses

    Directory of Open Access Journals (Sweden)

    Deng Ye

    2012-05-01

    Full Text Available Abstract Background Understanding the interaction among different species within a community and their responses to environmental changes is a central goal in ecology. However, defining the network structure in a microbial community is very challenging due to their extremely high diversity and as-yet uncultivated status. Although recent advance of metagenomic technologies, such as high throughout sequencing and functional gene arrays, provide revolutionary tools for analyzing microbial community structure, it is still difficult to examine network interactions in a microbial community based on high-throughput metagenomics data. Results Here, we describe a novel mathematical and bioinformatics framework to construct ecological association networks named molecular ecological networks (MENs through Random Matrix Theory (RMT-based methods. Compared to other network construction methods, this approach is remarkable in that the network is automatically defined and robust to noise, thus providing excellent solutions to several common issues associated with high-throughput metagenomics data. We applied it to determine the network structure of microbial communities subjected to long-term experimental warming based on pyrosequencing data of 16 S rRNA genes. We showed that the constructed MENs under both warming and unwarming conditions exhibited topological features of scale free, small world and modularity, which were consistent with previously described molecular ecological networks. Eigengene analysis indicated that the eigengenes represented the module profiles relatively well. In consistency with many other studies, several major environmental traits including temperature and soil pH were found to be important in determining network interactions in the microbial communities examined. To facilitate its application by the scientific community, all these methods and statistical tools have been integrated into a comprehensive Molecular Ecological

  4. Hybrid Logical Analyses of the Ambient Calculus

    DEFF Research Database (Denmark)

    Bolander, Thomas; Hansen, Rene Rydhof

    2010-01-01

    In this paper, hybrid logic is used to formulate three control flow analyses for Mobile Ambients, a process calculus designed for modelling mobility. We show that hybrid logic is very well-suited to express the semantic structure of the ambient calculus and how features of hybrid logic can...

  5. A homogenization method for the modal analysis of a nuclear reactor with internal structures modelling and fluid-structure interaction coupling; Une methode d'homogeneisation pour l'analyse modale d'un reacteur nucleaire avec modelisation des structures internes et de l'interaction fluide / structure

    Energy Technology Data Exchange (ETDEWEB)

    Sigrist, J.F. [DCN Propulsion, Service Technique et Scientifique, 44 - La Montagne (France); Broc, D. [CEA Saclay, Lab. d' Etude Mecanique et Sismique, 91 - Gif-sur-Yvette (France)

    2007-03-15

    A homogenization method is presented and validated in order to perform the dynamic analysis of a nuclear pressure vessel with a 'reduced' numerical model accounting for inertial fluid-structure coupling and describing the geometrical details of the internal structures, periodically embedded within the nuclear reactor. Homogenization techniques have been widely used in nuclear engineering to model confinement effects in reactor cores or tubes bundles. Application of such techniques to reactor internals is investigated in the present paper. The theory bases of the method are first recalled. Adaptation of the homogenization approach to the case of reactor internals is then exposed: it is shown that in such case, confinement effects can be modelled by a suitable modification of classical fluid-structure symmetric formulation. The method is then validated by comparison of 3D and 2D calculations. In the latter, a 'reduced' model with homogenized fluid is used, whereas in the former, a full finite element model of the nuclear pressure vessel with internal structures is elaborated. The homogenization approach is proved to be efficient from the numerical of view point and accurate from the physical point of view. Confinement effects in the industrial case can then be highlighted. (authors)

  6. ITER Safety Analyses with ISAS

    Science.gov (United States)

    Gulden, W.; Nisan, S.; Porfiri, M.-T.; Toumi, I.; de Gramont, T. Boubée

    1997-06-01

    Detailed analyses of accident sequences for the International Thermonuclear Experimental Reactor (ITER), from an initiating event to the environmental release of activity, have involved in the past the use of different types of computer codes in a sequential manner. Since these codes were developed at different time scales in different countries, there is no common computing structure to enable automatic data transfer from one code to the other, and no possibility exists to model or to quantify the effect of coupled physical phenomena. To solve this problem, the Integrated Safety Analysis System of codes (ISAS) is being developed, which allows users to integrate existing computer codes in a coherent manner. This approach is based on the utilization of a command language (GIBIANE) acting as a “glue” to integrate the various codes as modules of a common environment. The present version of ISAS allows comprehensive (coupled) calculations of a chain of codes such as ATHENA (thermal-hydraulic analysis of transients and accidents), INTRA (analysis of in-vessel chemical reactions, pressure built-up, and distribution of reaction products inside the vacuum vessel and adjacent rooms), and NAUA (transport of radiological species within buildings and to the environment). In the near future, the integration of S AFALY (simultaneous analysis of plasma dynamics and thermal behavior of in-vessel components) is also foreseen. The paper briefly describes the essential features of ISAS development and the associated software architecture. It gives first results of a typical ITER accident sequence, a loss of coolant accident (LOCA) in the divertor cooling loop inside the vacuum vessel, amply demonstrating ISAS capabilities.

  7. Multiple Imputation for Network Analyses

    NARCIS (Netherlands)

    Krause, Robert; Huisman, Mark; Steglich, Christian; Snijders, Thomas

    2016-01-01

    Missing data on network ties is a fundamental problem for network analyses. The biases induced by missing edge data, even when missing completely at random (MCAR), are widely acknowledged and problematic for network analyses (Kossinets, 2006; Huisman & Steglich, 2008; Huisman, 2009). Although model-

  8. Structure of Cs{sub 0.5}[Nb{sub 2.5}W{sub 2.5}O{sub 14}] analysed by focal-series reconstruction and crystallographic image processing

    Energy Technology Data Exchange (ETDEWEB)

    Barthel, Juri [Institute of Solid State Research and Ernst Ruska - Centre for Microscopy and Spectroscopy with Electrons, Research Centre Juelich, 52425 Juelich (Germany); Weirich, Thomas E., E-mail: weirich@gfe.rwth-aachen.de [Central Facility for Electron Microscopy and Institute of Crystallography, RWTH Aachen University, 52074 Aachen (Germany); Cox, Gerhard [BASF SE, Polymer Physics Department, 67065 Ludwigshafen (Germany); Hibst, Hartmut [BASF SE, Chemicals Research and Engineering, 67065 Ludwigshafen (Germany); Thust, Andreas [Institute of Solid State Research and Ernst Ruska - Centre for Microscopy and Spectroscopy with Electrons, Research Centre Juelich, 52425 Juelich (Germany)

    2010-06-15

    The structure of the oxygen sub-lattice in Cs{sub 0.5}[Nb{sub 2.5}W{sub 2.5}O{sub 14}] is investigated for the first time by advanced electron-optical methods. Since Cs{sub 0.5}[Nb{sub 2.5}W{sub 2.5}O{sub 14}] resembles the crystal structure of the so-called M1 phase of Mo-V-Nb-Te-O, which is the best catalyst for the selective oxidation of propane to acrylic acid, the structure analysis of the oxygen sub-lattice can contribute substantially to a better understanding of this catalytic process. The so far only partially known structure of the complex metal oxide Cs{sub 0.5}[Nb{sub 2.5}W{sub 2.5}O{sub 14}] is investigated by combining modern methods of high-resolution transmission electron microscopy with crystallographic image processing techniques. Average atom positions in the a-b plane are determined from the phase of the exit-plane wave function, which was numerically reconstructed from a focal series of spherical-aberration-corrected electron micrographs. The experimentally determined atom positions agree well with a structure model obtained by first-principles calculations for the underlying M{sub 5}O{sub 14} (M = Nb, W) framework. Moreover, several deviations from the periodic structure, which may influence the catalytic properties of the structurally similar M1 phase, are observed. The obtained results demonstrate that aberration-corrected high-resolution transmission electron microscopy is a reliable alternative for the analysis of periodic structures, in particular when traditional methods for crystallographic structure determination like XRD or neutron diffraction cannot be applied.

  9. Olfactometric analyses or odors measurement by sensorial analyses; Analyses olfactometriques ou mesure des odeurs par analyse sensorielle

    Energy Technology Data Exchange (ETDEWEB)

    Gouronnec, A.M. [Institut de Radioprotection et de Surete Nucleaire (IRSN), 92 - Clamart (France)

    2004-06-15

    The olfactometric analyses presented here are applied to industrial odors being able to generate harmful effects for people. The aim of the olfactometric analyses is to quantify odors, to qualify them or to join a pleasant or an unpleasant character to them (hedonism notion). The aim of this work is at first to present the different measurements carried out, the different measurement methods used and the current applications for each of the methods. (O.M.)

  10. Mitogenomic analyses from ancient DNA

    DEFF Research Database (Denmark)

    Paijmans, Johanna L.A.; Gilbert, M Thomas P; Hofreiter, Michael

    2013-01-01

    analyses (whether using modern or ancient DNA) were largely restricted to the analysis of short fragments of the mitochondrial genome. However, due to many technological advances during the past decade, a growing number of studies have explored the power of complete mitochondrial genome sequences...... (mitogenomes). Such studies were initially limited to analyses of extant organisms, but developments in both DNA sequencing technologies and general methodological aspects related to working with degraded DNA have resulted in complete mitogenomes becoming increasingly popular for ancient DNA studies as well....... To date, at least 124 partially or fully assembled mitogenomes from more than 20 species have been obtained, and, given the rapid progress in sequencing technology, this number is likely to dramatically increase in the future. The increased information content offered by analysing full mitogenomes has...

  11. An extensible analysable system model

    DEFF Research Database (Denmark)

    Probst, Christian W.; Hansen, Rene Rydhof

    2008-01-01

    , this does not hold for real physical systems. Approaches such as threat modelling try to target the formalisation of the real-world domain, but still are far from the rigid techniques available in security research. Many currently available approaches to assurance of critical infrastructure security......Analysing real-world systems for vulnerabilities with respect to security and safety threats is a difficult undertaking, not least due to a lack of availability of formalisations for those systems. While both formalisations and analyses can be found for artificial systems such as software...

  12. Structure analyses of Cu nanoclusters in the soft magnetic Fe85.2Si1B9P4Cu0.8 alloy by XAFS and fcc cluster model

    Science.gov (United States)

    Matsuura, M.; Nishijima, M.; Konno, K.; Ofuchi, H.; Takenaka, K.; Makino, A.

    2016-05-01

    Size of the clusters and structure details of fcc Cu clusters in nanocrystalline soft magnetic alloy of Fe85-86Si1-2B8P4Cu1 (NANOMET) are investigated. A linear combination fitting of XAFS data indicates that about 30% of Cu atoms are partitioned in the fcc clusters and the rest in the amorphous matrix. EXAFS of the fcc Cu nanocluster embedded in amorphous matrix is calculated on the basis of a simple fcc structure model using FEFF9. Surface effect of the nanoclusters is considered by counting a fraction of the nearest neighbour atoms in amorphous matrix. Good agreement with the experimental result is obtained for the fcc nanocluster with 9 coordination shells which consists of total 177 atoms within 1.5 nm in a diameter.

  13. Analyse mathématique et numérique de problèmes d'interaction fluide-structure. Application a la modélisation de l'appareil respiratoire.

    OpenAIRE

    2009-01-01

    Dans le cadre de l'ANR M3RS (ANR-08-JCJC-0013-01); Les travaux présentés dans ce mémoire s'articulent essentiellement autour de deux thèmes : l'étude mathématique et numérique des phénomènes d'interaction fluide-structure et la modélisation de l'appareil respiratoire humain. C'est au cours de ma thèse que j'ai commencé à travailler sur les phénomènes d'interaction fluide-structure. Ces travaux se sont poursuivis par la suite au CEREMADE (Université Paris Dauphine) puis au sein du projet REO à...

  14. Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.

    Science.gov (United States)

    Lee, Ae-Ree; Park, Chin-Ju; Cheong, Hae-Kap; Ryu, Kyoung-Seok; Park, Jin-Wan; Kwon, Mun-Young; Lee, Janghyun; Kim, Kyeong Kyu; Choi, Byong-Seok; Lee, Joon-Hwa

    2016-04-07

    Z-DNA binding proteins (ZBPs) play important roles in RNA editing, innate immune response and viral infection. Structural and biophysical studies show that ZBPs initially form an intermediate complex with B-DNA for B-Z conversion. However, a comprehensive understanding of the mechanism of Z-DNA binding and B-Z transition is still lacking, due to the absence of structural information on the intermediate complex. Here, we report the solution structure of the Zα domain of the ZBP-containing protein kinase from Carassius auratus(caZαPKZ). We quantitatively determined the binding affinity of caZαPKZ for both B-DNA and Z-DNA and characterized its B-Z transition activity, which is modulated by varying the salt concentration. Our results suggest that the intermediate complex formed by caZαPKZ and B-DNA can be used as molecular ruler, to measure the degree to which DNA transitions to the Z isoform.

  15. Pawnee Nation Energy Option Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Matlock, M.; Kersey, K.; Riding In, C.

    2009-07-21

    Pawnee Nation of Oklahoma Energy Option Analyses In 2003, the Pawnee Nation leadership identified the need for the tribe to comprehensively address its energy issues. During a strategic energy planning workshop a general framework was laid out and the Pawnee Nation Energy Task Force was created to work toward further development of the tribe’s energy vision. The overarching goals of the “first steps” project were to identify the most appropriate focus for its strategic energy initiatives going forward, and to provide information necessary to take the next steps in pursuit of the “best fit” energy options. Description of Activities Performed The research team reviewed existing data pertaining to the availability of biomass (focusing on woody biomass, agricultural biomass/bio-energy crops, and methane capture), solar, wind and hydropower resources on the Pawnee-owned lands. Using these data, combined with assumptions about costs and revenue streams, the research team performed preliminary feasibility assessments for each resource category. The research team also reviewed available funding resources and made recommendations to Pawnee Nation highlighting those resources with the greatest potential for financially-viable development, both in the near-term and over a longer time horizon. Findings and Recommendations Due to a lack of financial incentives for renewable energy, particularly at the state level, combined mediocre renewable energy resources, renewable energy development opportunities are limited for Pawnee Nation. However, near-term potential exists for development of solar hot water at the gym, and an exterior wood-fired boiler system at the tribe’s main administrative building. Pawnee Nation should also explore options for developing LFGTE resources in collaboration with the City of Pawnee. Significant potential may also exist for development of bio-energy resources within the next decade. Pawnee Nation representatives should closely monitor

  16. Evaluation "Risk analyses of agroparks"

    NARCIS (Netherlands)

    Ge, L.

    2011-01-01

    Dit TransForum project richt zich op analyse van de onzekerheden en mogelijkheden van agroparken. Dit heeft geleid tot een risicomodel dat de kwalitatieve en/of kwantitatieve onzekerheden van een agropark project in kaart brengt. Daarmee kunnen maatregelen en managementstrategiën worden geïdentifice

  17. Descriptive Analyses of Mechanical Systems

    DEFF Research Database (Denmark)

    Andreasen, Mogens Myrup; Hansen, Claus Thorp

    2003-01-01

    Forord Produktanalyse og teknologianalyse kan gennmføres med et bredt socio-teknisk sigte med henblik på at forstå kulturelle, sociologiske, designmæssige, forretningsmæssige og mange andre forhold. Et delområde heri er systemisk analyse og beskrivelse af produkter og systemer. Nærværende kompend...

  18. Analysis of bioengineering research and development structures and potentials in Baden-Wuerttemberg. Final report; Analyse der baden-wuerttembergischen FuE-Strukturen und Potentiale in der Biotechnologie. Endbericht

    Energy Technology Data Exchange (ETDEWEB)

    Jaeckel, G. [Fraunhofer-Institut fuer Systemtechnik und Innovationsforschung (ISI), Karlsruhe (Germany); Huesing, B. [Fraunhofer-Institut fuer Systemtechnik und Innovationsforschung (ISI), Karlsruhe (Germany); Strauss, E. [Fraunhofer-Institut fuer Systemtechnik und Innovationsforschung (ISI), Karlsruhe (Germany); Reiss, T. [Fraunhofer-Institut fuer Systemtechnik und Innovationsforschung (ISI), Karlsruhe (Germany)

    1994-12-01

    The future trends in research activities of the industry, universities and other research institutions in Baden-Wuerttemberg are established on the basis of a written inquiry. Enterprises in biotechnology were also asked about their structure, staff, cooperation projects, and infrastructure. The findings are discussed in interviews with selected biotechnology enterprises. (orig.) [Deutsch] Mittels einer schriftlichen Umfrage unter allen Biotechnologieunternehmen und Forschungsinstituten in Baden-Wuerttemberg wird eine umfassende Darstellung der zukuenftigen Trends der Forschungsaktivitaeten der Industrie, der Universitaeten und anderen Forschungseinrichtung erstellt. Die Biotechnologieunternehmen wurden ausserdem nach ihrer Struktur, Personalfragen, Kooperationsverhalten und Infrastruktur befragt. Die Ergebnisse werden in Interviews mit ausgesuchten Biotechnologieunternehmen diskutiert. (orig.)

  19. Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP(2)O(7) and LiFeP(2)O(7).

    Science.gov (United States)

    Whangbo, Myung-Hwan; Dai, Dadi; Koo, Hyun-Joo

    2004-10-07

    The magnetic oxides NaFeP(2)O(7) and LiFeP(2)O(7), made up of FeO(6) octahedra containing high-spin Fe(3+)(d(5)) ions, undergo a three-dimensional antiferromagnetic ordering at low temperatures. The strengths of various Fe-O...O-Fe super-superexchange interactions of NaFeP(2)O(7) and LiFeP(2)O(7) were estimated on the basis of spin dimer analysis to probe the nature of their ordered magnetic structures. It is found that the critical factor governing the strength of a Fe-O...O-Fe super-superexchange interaction is not the Fe...Fe distance but the O...O distance. Using the spin exchange parameters thus obtained, the total spin exchange interaction energies were calculated for various ordered spin arrangements of NaFeP(2)O(7) and LiFeP(2)O(7) on the basis of classical spin analysis to confirm that the observed magnetic structures are the magnetic ground states.

  20. Comparative structure analyses of cystine knot-containing molecules with eight aminoacyl ring including glycoprotein hormones (GPH alpha and beta subunits and GPH-related A2 (GPA2 and B5 (GPB5 molecules

    Directory of Open Access Journals (Sweden)

    Combarnous Yves

    2009-08-01

    Full Text Available Abstract Background Cystine-knot (cys-knot structure is found in a rather large number of secreted proteins and glycoproteins belonging to the TGFbeta and glycoprotein hormone (GPH superfamilies, many of which are involved in endocrine control of reproduction. In these molecules, the cys-knot is formed by a disulfide (SS bridge penetrating a ring formed by 8, 9 or 10 amino-acid residues among which four are cysteine residues forming two SS bridges. The glycoprotein hormones Follicle-Stimulating Hormone (FSH, Luteinizing Hormone (LH, Thyroid-Stimulating Hormone (TSH and Chorionic Gonadotropin (CG are heterodimers consisting of non-covalently associated alpha and beta subunits that possess cys-knots with 8-amino-acyl (8aa rings. In order to get better insight in the structural evolution of glycoprotein hormones, we examined the number and organization of SS bridges in the sequences of human 8-aa-ring cys-knot proteins having 7 (gremlins, 9 (cerberus, DAN, 10 (GPA2, GPB5, GPHα and 12 (GPHβ cysteine residues in their sequence. Discussion The comparison indicated that the common GPH-alpha subunit exhibits a SS bridge organization ressembling that of DAN and GPA2 but possesses a unique bridge linking an additional cysteine inside the ring to the most N-terminal cysteine residue. The specific GPHbeta subunits also exhibit a SS bridge organization close to that of DAN but it has two additional C-terminal cysteine residues which are involved in the formation of the "seat belt" fastened by a SS "buckle" that ensures the stability of the heterodimeric structure of GPHs. GPA2 and GPB5 exhibit no cys residue potentially involved in interchain SS bridge and GPB5 does not possess a sequence homologous to that of the seatbelt in GPH β-subunits. GPA2 and GPB5 are thus not expected to form a stable heterodimer at low concentration in circulation. Summary The 8-aa cys-knot proteins GPA2 and GPB5 are expected to form a heterodimer only at concentrations above 0

  1. Workload analyse of assembling process

    Science.gov (United States)

    Ghenghea, L. D.

    2015-11-01

    The workload is the most important indicator for managers responsible of industrial technological processes no matter if these are automated, mechanized or simply manual in each case, machines or workers will be in the focus of workload measurements. The paper deals with workload analyses made to a most part manual assembling technology for roller bearings assembling process, executed in a big company, with integrated bearings manufacturing processes. In this analyses the delay sample technique have been used to identify and divide all bearing assemblers activities, to get information about time parts from 480 minutes day work time that workers allow to each activity. The developed study shows some ways to increase the process productivity without supplementary investments and also indicated the process automation could be the solution to gain maximum productivity.

  2. Multivariate Evolutionary Analyses in Astrophysics

    CERN Document Server

    Fraix-Burnet, Didier

    2011-01-01

    The large amount of data on galaxies, up to higher and higher redshifts, asks for sophisticated statistical approaches to build adequate classifications. Multivariate cluster analyses, that compare objects for their global similarities, are still confidential in astrophysics, probably because their results are somewhat difficult to interpret. We believe that the missing key is the unavoidable characteristics in our Universe: evolution. Our approach, known as Astrocladistics, is based on the evolutionary nature of both galaxies and their properties. It gathers objects according to their "histories" and establishes an evolutionary scenario among groups of objects. In this presentation, I show two recent results on globular clusters and earlytype galaxies to illustrate how the evolutionary concepts of Astrocladistics can also be useful for multivariate analyses such as K-means Cluster Analysis.

  3. Morphotectonic, Quaternary and Structural Geology Analyses of the Shallow Geometry of the Mw 6.1, 2009 L'Aquila Earthquake Fault (central Italy): A Missed Opportunity for Surface Faulting Prevention.

    Science.gov (United States)

    Pucci, S.; Villani, F.; Civico, R.; Pantosti, D.; Smedile, A.; De Martini, P. M.; Di Naccio, D.; Gueli, A.

    2014-12-01

    The surface-rupturing 2009 L'Aquila earthquake evidenced the limited knowledge of active faults in the Middle Aterno Valley area. Gaps in detailed mapping of Quaternary deposits and tectonic landforms did not trigger researches on active faults, but after the tragic event. We present a morphotectonic study of geometry and evolution of the activated fault system (Paganica-San Demetrio, PSDFS). The LIDAR analysis and field survey yield to a new geological and structural map of the area with an unprecedented detail for the Quaternary deposits. It shows an alluvial depositional system prograding and migrating due to fault system evolution. The normal faults offset both the Quaternary deposits and the bedrock. The structural analysis allows us to recognize two fault systems: (A) NNE- and WNW-trending conjugate extensional system overprinting a strike-slip kinematics and (B) dip-slip NW-trending system. Crosscut relationship suggests that the activity of system B prevails, since Early Pleistocene, on system A, which earlier may have controlled a differently shaped basin. System B is the main responsible for the present-day compound outline of the Middle Aterno Valley, while system A major splays now act as segment boundaries. The long-term expression of B results in prominent fault scarps offsetting Quaternary deposits, dissecting erosional and depositional flat landforms. We retrieved detailed morphologic throws along fault scarps and we dated landforms by 14C, OSL (Optically Stimulated Luminescence), CRN (Cosmogenic Radionuclide) and tephra chronology. We show the persistent role of extensional faulting in dominating Quaternary landform evolution and we estimate slip-rate of the PSDFS at different time-scales. The results support repeated activity of PSDFS for ~20 km total length, thus implying M6.6 maximum expected earthquake. Such an approach should have been applied beforehand for the actual hazard estimation, to trigger, early enough, the adoption of precautionary

  4. Analysing ESP Texts, but How?

    OpenAIRE

    Borza Natalia

    2015-01-01

    English as a second language (ESL) teachers instructing general English and English for specific purposes (ESP) in bilingual secondary schools face various challenges when it comes to choosing the main linguistic foci of language preparatory courses enabling non-native students to study academic subjects in English. ESL teachers intending to analyse English language subject textbooks written for secondary school students with the aim of gaining information about what bilingual secondary schoo...

  5. DebriSat Laboratory Analyses

    Science.gov (United States)

    2015-01-05

    Semiquantitative elemental composition. – Elemental mapping and line scans. • Fourier Transform Infrared ( FTIR ) spectroscopy – Identification of chemical...Transform Infrared ( FTIR ) spectroscopy – Nicolet 6700 spectrometer. – Harrick Scientific “praying mantis” diffuse reflectance accessory. • Qualitative...VIS-NIR Spectroscopy Dianna Alaan © The Aerospace Corporation 2015 DebriSat Laboratory Analyses 5 January, 2015 Paul M. Adams1, Zachary Lingley2

  6. Mitogenomic analyses of eutherian relationships.

    Science.gov (United States)

    Arnason, U; Janke, A

    2002-01-01

    Reasonably correct phylogenies are fundamental to the testing of evolutionary hypotheses. Here, we present phylogenetic findings based on analyses of 67 complete mammalian mitochondrial (mt) genomes. The analyses, irrespective of whether they were performed at the amino acid (aa) level or on nucleotides (nt) of first and second codon positions, placed Erinaceomorpha (hedgehogs and their kin) as the sister group of remaining eutherians. Thus, the analyses separated Erinaceomorpha from other traditional lipotyphlans (e.g., tenrecs, moles, and shrews), making traditional Lipotyphla polyphyletic. Both the aa and nt data sets identified the two order-rich eutherian clades, the Cetferungulata (comprising Pholidota, Carnivora, Perissodactyla, Artiodactyla, and Cetacea) and the African clade (Tenrecomorpha, Macroscelidea, Tubulidentata, Hyracoidea, Proboscidea, and Sirenia). The study corroborated recent findings that have identified a sister-group relationship between Anthropoidea and Dermoptera (flying lemurs), thereby making our own order, Primates, a paraphyletic assembly. Molecular estimates using paleontologically well-established calibration points, placed the origin of most eutherian orders in Cretaceous times, 70-100 million years before present (MYBP). The same estimates place all primate divergences much earlier than traditionally believed. For example, the divergence between Homo and Pan is estimated to have taken place approximately 10 MYBP, a dating consistent with recent findings in primate paleontology.

  7. 渤海湾沙北地区盆地结构构造及其演化分析%Structure and Evolution Analyses of the Shabei Area of Bohai Gulf Basin

    Institute of Scientific and Technical Information of China (English)

    陈树光; 任建业; 辛云路; 张建丽; 吴峰

    2015-01-01

    本文以覆盖全区的3D 地震和钻井资料为基础,追踪并闭合了盆内重要的层序界面,精细解释了盆内主要构造和地震反射特征,新识别出了中生代逆冲构造体系,包括逆冲反转构造和逆冲未反转构造两种型式,它们分别形成了中生代的半地堑盆地和古潜山。分析了新生代不同时期盆地结构构造特征和古构造格架,发现在E2s3-E3s1时期,盆地受到NW-SE向伸展作用,到Ed3-Ed1时期盆地应力场转变成了近SN向伸展,表明东营组底界面是古近纪应力场发生变化的重要构造变革界面,反映了盆地由沙河街时期走滑伸展到东营时期斜向走滑拉分的演化过程。研究了不同时期控盆断裂体系特征,认为盆地中、新生代主要经历了四期构造演化阶段,分别为中生代的挤压剥蚀,沙河街时期NW-SE向伸展,东营时期近SN向伸展以及新近纪的热沉降和共轭走滑阶段。根据以上盆地结构构造特征和演化过程分析,结合区域动力学背景,认为地幔物质上拱导致的地壳减薄是盆地发生裂陷作用的直接因素,周缘板块重组事件是控制并影响断陷盆地演化和不同期次断裂体系展布方向不同的重要因素。%Based on the 3D seismic and drilling data of the Shabei area of the Bohai Gulf Basin, we tracked the important basin sequence boundaries and interpreted the structure styles and seismic reflection characteristics. Two types of Mesozoic thrust structures, i.e., the negative inversion and non-negative inversion structures, were identified in the study area, which led to the formation of the Mesozoic half-grabens and buried hills, respectively. Analyzing the basin-structure characteristics and tectonic framework of different period, we found that the basin was influenced by the NW-SE trending stretching in E2s3-E3s1 and the nearly SN trending stretching forces in Ed3-Ed1. The change of the Paleogene stress

  8. Fractal and multifractal analyses of bipartite networks.

    Science.gov (United States)

    Liu, Jin-Long; Wang, Jian; Yu, Zu-Guo; Xie, Xian-Hua

    2017-03-31

    Bipartite networks have attracted considerable interest in various fields. Fractality and multifractality of unipartite (classical) networks have been studied in recent years, but there is no work to study these properties of bipartite networks. In this paper, we try to unfold the self-similarity structure of bipartite networks by performing the fractal and multifractal analyses for a variety of real-world bipartite network data sets and models. First, we find the fractality in some bipartite networks, including the CiteULike, Netflix, MovieLens (ml-20m), Delicious data sets and (u, v)-flower model. Meanwhile, we observe the shifted power-law or exponential behavior in other several networks. We then focus on the multifractal properties of bipartite networks. Our results indicate that the multifractality exists in those bipartite networks possessing fractality. To capture the inherent attribute of bipartite network with two types different nodes, we give the different weights for the nodes of different classes, and show the existence of multifractality in these node-weighted bipartite networks. In addition, for the data sets with ratings, we modify the two existing algorithms for fractal and multifractal analyses of edge-weighted unipartite networks to study the self-similarity of the corresponding edge-weighted bipartite networks. The results show that our modified algorithms are feasible and can effectively uncover the self-similarity structure of these edge-weighted bipartite networks and their corresponding node-weighted versions.

  9. Fractal and multifractal analyses of bipartite networks

    Science.gov (United States)

    Liu, Jin-Long; Wang, Jian; Yu, Zu-Guo; Xie, Xian-Hua

    2017-01-01

    Bipartite networks have attracted considerable interest in various fields. Fractality and multifractality of unipartite (classical) networks have been studied in recent years, but there is no work to study these properties of bipartite networks. In this paper, we try to unfold the self-similarity structure of bipartite networks by performing the fractal and multifractal analyses for a variety of real-world bipartite network data sets and models. First, we find the fractality in some bipartite networks, including the CiteULike, Netflix, MovieLens (ml-20m), Delicious data sets and (u, v)-flower model. Meanwhile, we observe the shifted power-law or exponential behavior in other several networks. We then focus on the multifractal properties of bipartite networks. Our results indicate that the multifractality exists in those bipartite networks possessing fractality. To capture the inherent attribute of bipartite network with two types different nodes, we give the different weights for the nodes of different classes, and show the existence of multifractality in these node-weighted bipartite networks. In addition, for the data sets with ratings, we modify the two existing algorithms for fractal and multifractal analyses of edge-weighted unipartite networks to study the self-similarity of the corresponding edge-weighted bipartite networks. The results show that our modified algorithms are feasible and can effectively uncover the self-similarity structure of these edge-weighted bipartite networks and their corresponding node-weighted versions. PMID:28361962

  10. Engineering analyses of large precision cathode strip chambers for GEM

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, J.A.; Belser, F.C.; Pratuch, S.M.; Wuest, C.R. [Lawrence Livermore National Lab., CA (United States); Mitselmakher, G. [Superconducting Super Collider Lab., Dallas, TX (United States); Gordeev, A. [Institute of Theoretical and Experimental Physics, Moscow (Russian Federation); Johnson, C.V. [Lawrence Livermore National Lab., CA (United States)]|[Superconducting Super Collider Lab., Dallas, TX (United States); Polychronakos, V.A. [Brookhaven National Lab., Upton, NY (United States); Golutvin, I.A. [Joint Institute for Nuclear Research, Dubna (Russian Federation)

    1993-10-21

    Structural analyses of large precision cathode strip chambers performed up to the date of this publication are documented. Mechanical property data for typical chamber materials are included. This information, originally intended to be an appendix to the {open_quotes}CSC Structural Design Bible,{close_quotes} is presented as a guide for future designers of large chambers.

  11. Competitive effects and instruments of power sector reforms. International reform concepts blockade structures, risk distribution. A political economy analysis; Wettbewerbseffekte und Instrumente von Stromsektorreformen. Internationale Reformkonzepte, Blockadestrukturen, Risikoverteilung. Eine politoekonomische Analyse

    Energy Technology Data Exchange (ETDEWEB)

    Liebchen, Armin [Liebchen Consulting, Berlin (Germany)

    2014-07-01

    Power sectors with weak or inadequate competition structures are the rule, despite numerous attempts at reform. But can afford modern economies this defect for a long time? Why can the implementation of competition are blocked so effectively? The author studied international reform experiences and opens up interesting insights that can also reflect on problems of the German energy turnaround: The difficulty of timing and coordination of the reform components, the development of resistance levels of individual interest groups, breach of contract as a rational alternative, causes unwanted price effects, shifting interest situations of major stakeholders, change dynamics impending regulatory risks, pending financing risks, stranded cost-conflict situations for power stations disconnected from the grid and facilities and instruments of a political and regulatory risk management for reforms. With numerous examples, background analyzes and instruments to reform analysis, this book is aimed at investors, policy planners and analysts. [German] Stromsektoren mit schwachen oder unzulaenglichen Wettbewerbsstrukturen sind trotz zahlreicher Reformversuche die Regel. Aber koennen sich moderne Volkswirtschaften diesen Mangel dauerhaft leisten? Warum kann die Einfuehrung von Wettbewerb so wirksam blockiert werden? Der Autor untersucht internationale Reformerfahrungen und eroeffnet interessante Einsichten, die sich auch auf Problemlagen der deutschen Energiewende spiegeln lassen: Die Schwierigkeit des richtigen Timings und der Abstimmung der Reformteile, dem Aufbau von Widerstandslinien einzelner Interessensgruppen, Vertragsbruch als rationaler Alternative, Ursachen unerwuenschter Preiseffekte, sich verschiebenden Interessenslagen wichtiger Akteure, Veraenderungsdynamik drohender Regulierungsrisiken, schwebenden Finanzierungsrisiken, stranded-cost-Konfliktlagen fuer vom Netz genommene Kraftwerke und Moeglichkeiten und Instrumenten eines politisch-regulatorischen Risikomanagements

  12. Métodos estatísticos e estrutura espacial de populações: uma análise comparativa = Statistic methods and population spatial structure: a comparative analyses

    Directory of Open Access Journals (Sweden)

    Matheus de Souza Lima-Ribeiro

    2006-07-01

    Full Text Available O presente estudo teve por objetivo comparar os resultados de distribuição espacial obtidos entre os métodos clássicos e os métodos que estimam a variância entre parcelas. Foram analisadas duas espécies, Vernonia aurea e Duguetia furfuracea. Foram utilizados a Distribuição de Poisson (padrão aleatório, a Distribuição Binomial Negativa (padrão agregado e os métodos BQV, TTLQV e PQV (variância entre parcelas, bem como a razão variância:média (I, coeficiente de Green (Ig e o índice de dispersão de Morisita (Im. Ambas metodologias detectaram padrão de distribuição espacial agregado para as populações analisadas, com resultados similares quanto ao nível de agregação, além de complementação das informações, em diferentes escalas, entre os métodos clássicos e de variância entre parcelas. Desse modo, recomenda-se a utilização desses métodos estatísticos em estudos de estrutura espacial, uma vez que os testes são robustos e complementares e os dados são de fácil coleta em campo.This study aims to compare the results of spatial structure obtained between the classic and quadrat variance methods. Two species were analised, Vernonia aurea and Duguetia furfuracea. The Poisson distribution (random pattern, the Negative Binomial distribution (aggregate pattern, the BQV, TTLQV and PQV methods, the ratiovariance: mean (I, the Green coefficient (Ig and the Morisita’s index of dispersion (Im were used to detect the populations spatial pattern. An aggregated spatial pattern distribution was detected through both methodologies, with similar results as for the aggregation level and the complementation of the information in different scales between classic and quadrat variance methods. Thus, the utilization of these statistic methods in studies of the spatialstructure is recommended, given that tests are robust and complementary and field data samples are easy to collect.

  13. Quantitative structure-activity analyses of anilines and phenols toxicity to Daphnia magna Straus%苯胺和苯酚对大型溞Daphnia magna Straus毒性的定量结构-活性分析

    Institute of Scientific and Technical Information of China (English)

    蒋司同; 聂长明; 林英武; 石春雨

    2011-01-01

    本文旨在对苯胺和苯酚对大型溞Daphnia magna Straus毒性,进行定量结构-活性关系(QSARs)研究并进行相关的预测。由多元线性回归分析(MLR)方法得到的几个主要的QSARs关系模型揭示,在苯胺和苯酚对大型涵毒性中,正辛醇/水分配系数(logKow)是1个决定性因素。而单纯的利用logKow进行模型建立并不能得到很好的结果,在logKow模型的基础上,通过引入其它极性和/或电性参数可以大大提前模型的稳定性和预测能力,本文中所引用的极性参数为价电子数(NVE),电性参数有苯环碳原子Mulliken电荷之和(Qn)、最低非占据轨道能量(ELUMO)和最高占据轨道能量(EHOMO)。总体而言,通过引入1~2个参数即可获得稳定满意的关系模型。此外,引入5个参数可获得最佳关系模型[pEC50=0.054 NVE+0.394logKow-5.863 EHOMO+7.730 ELUMO+0.182 QA-1.062,N=34,R2=0.9328]。本文同时就与QSARs密切相关的参数进行了进一步讨论,为苯胺和苯酚毒性的分子机制提供了新信息。%This paper was aimed at developing quantitative structure-activity relationships (QSARs) for predicting the toxicity of anilines and phenols to Daphnia magna Straus. As analyzed by a method of multiple linear regression (MLR), the resultant QSARs revealed that octanol/water partition coefficient (logKow) is a major determining parameter. A model with logKow was further improved by adding other polarity and/or electronic parameters, such as the number of valence electrons (NVE), the sum of Mulliken charge of C atoms on benzene ring (QA), the energy of the lowest tmoccupied molecular orbital (ELUMO) and the highest occupied molecular orbital (EHOMO). In general, more stable and satisfactory models could be established by adding one or two additional parameters. Moreover, a best model was obtained by using five parameters [pEC50 = 0.054 NVE + 0.394logKow - 5.863 EHOMO + 7.730 ELUMO + 0.182 QA- 1.062, N= 34, R2 = 0

  14. Analysing degeneracies in networks spectra

    CERN Document Server

    Marrec, Loïc

    2016-01-01

    Many real-world networks exhibit a high degeneracy at few eigenvalues. We show that a simple transformation of the network's adjacency matrix provides an understanding of? the origins of occurrence of high multiplicities in the networks spectra. We find that the eigenvectors associated with the degenerate eigenvalues shed light on the structures contributing to the degeneracy. Since these degeneracies are rarely observed in model graphs, we present results for various cancer networks. This approach gives an opportunity to search for structures contributing to degeneracy which might have an important role in a network.

  15. Analysing ESP Texts, but How?

    Directory of Open Access Journals (Sweden)

    Borza Natalia

    2015-03-01

    Full Text Available English as a second language (ESL teachers instructing general English and English for specific purposes (ESP in bilingual secondary schools face various challenges when it comes to choosing the main linguistic foci of language preparatory courses enabling non-native students to study academic subjects in English. ESL teachers intending to analyse English language subject textbooks written for secondary school students with the aim of gaining information about what bilingual secondary school students need to know in terms of language to process academic textbooks cannot avoiding deal with a dilemma. It needs to be decided which way it is most appropriate to analyse the texts in question. Handbooks of English applied linguistics are not immensely helpful with regard to this problem as they tend not to give recommendation as to which major text analytical approaches are advisable to follow in a pre-college setting. The present theoretical research aims to address this lacuna. Respectively, the purpose of this pedagogically motivated theoretical paper is to investigate two major approaches of ESP text analysis, the register and the genre analysis, in order to find the more suitable one for exploring the language use of secondary school subject texts from the point of view of an English as a second language teacher. Comparing and contrasting the merits and limitations of the two contrastive approaches allows for a better understanding of the nature of the two different perspectives of text analysis. The study examines the goals, the scope of analysis, and the achievements of the register perspective and those of the genre approach alike. The paper also investigates and reviews in detail the starkly different methods of ESP text analysis applied by the two perspectives. Discovering text analysis from a theoretical and methodological angle supports a practical aspect of English teaching, namely making an informed choice when setting out to analyse

  16. Perturbation analyses of intermolecular interactions

    Science.gov (United States)

    Koyama, Yohei M.; Kobayashi, Tetsuya J.; Ueda, Hiroki R.

    2011-08-01

    Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to the conformational fluctuations are complicated. To identify important intermolecular interactions with regard to the conformational fluctuations, we develop herein (i) distance-independent and (ii) distance-dependent perturbation analyses of the intermolecular interactions. We show that these perturbation analyses can be realized by performing (i) a principal component analysis using conditional expectations of truncated and shifted intermolecular potential energy terms and (ii) a functional principal component analysis using products of intermolecular forces and conditional cumulative densities. We refer to these analyses as intermolecular perturbation analysis (IPA) and distance-dependent intermolecular perturbation analysis (DIPA), respectively. For comparison of the IPA and the DIPA, we apply them to the alanine dipeptide isomerization in explicit water. Although the first IPA principal components discriminate two states (the α state and PPII (polyproline II) + β states) for larger cutoff length, the separation between the PPII state and the β state is unclear in the second IPA principal components. On the other hand, in the large cutoff value, DIPA eigenvalues converge faster than that for IPA and the top two DIPA principal components clearly identify the three states. By using the DIPA biplot, the contributions of the dipeptide-water interactions to each state are analyzed systematically. Since the DIPA improves the state identification and the convergence rate with retaining distance information, we conclude that the DIPA is a more practical method compared with the

  17. Analysing performance through value creation

    Directory of Open Access Journals (Sweden)

    Adrian TRIFAN

    2015-12-01

    Full Text Available This paper draws a parallel between measuring financial performance in 2 variants: the first one using data offered by accounting, which lays emphasis on maximizing profit, and the second one which aims to create value. The traditional approach to performance is based on some indicators from accounting data: ROI, ROE, EPS. The traditional management, based on analysing the data from accounting, has shown its limits, and a new approach is needed, based on creating value. The evaluation of value based performance tries to avoid the errors due to accounting data, by using other specific indicators: EVA, MVA, TSR, CVA. The main objective is shifted from maximizing the income to maximizing the value created for shareholders. The theoretical part is accompanied by a practical analysis regarding the creation of value and an analysis of the main indicators which evaluate this concept.

  18. Retorisk analyse af historiske tekster

    DEFF Research Database (Denmark)

    Kock, Christian Erik J

    2014-01-01

    In recent years, rhetoric and the rhetorical tradition has attracted increasing interest from historians, such as, e.g., Quentin Skinner. The paper aims to explain and illustrate what may be understood by a rhetorical analysis (or “rhetorical criticism”) of historical documents, i.e., how those...... scholars who identify themselves as rhetoricians tend to define and conduct such an analysis. It is argued that while rhetoricians would sympathize with Skinner’s adoption of speech act theory in his reading of historical documents, they would generally extend their rhetorical readings of such documents...... to many more features than just the key concepts invoked in them. The paper discusses examples of rhetorical analyses done by prominent contemporary rhetoricians, including Edwin Black, Kenneth Burke, Maurice Charland, and Michael Leff. It relates its view of rhetorical documents to trends in current...

  19. Analysing Protocol Stacks for Services

    DEFF Research Database (Denmark)

    Gao, Han; Nielson, Flemming; Nielson, Hanne Riis

    2011-01-01

    We show an approach, CaPiTo, to model service-oriented applications using process algebras such that, on the one hand, we can achieve a certain level of abstraction without being overwhelmed by the underlying implementation details and, on the other hand, we respect the concrete industrial...... standards used for implementing the service-oriented applications. By doing so, we will be able to not only reason about applications at different levels of abstractions, but also to build a bridge between the views of researchers on formal methods and developers in industry. We apply our approach...... to the financial case study taken from Chapter 0-3. Finally, we develop a static analysis to analyse the security properties as they emerge at the level of concrete industrial protocols....

  20. HGCal Simulation Analyses for CMS

    CERN Document Server

    Bruno, Sarah Marie

    2015-01-01

    This summer, I approached the topic of fast-timing detection of photons from Higgs decays via simulation analyses, working under the supervision of Dr. Adolf Bornheim of the California Institute of Technology. My specific project focused on simulating the high granularity calorimeter for the Compact Muon Solenoid (CMS) experiment. CMS detects particles using calorimeters. The Electromagnetic Calorimeter (ECal) is arranged cylindrically to form a barrel section and two “endcaps.” Previously, both the barrel and endcap have employed lead tungstate crystal detectors, known as the “shashlik” design. The crystal detectors, however, rapidly degrade from exposure to radiation. This effect is most pronounced in the endcaps. To avoid the high expense of frequently replacing degraded detectors, it was recently decided to eliminate the endcap crystals in favor of an arrangement of silicon detectors known as the “High Granularity Calorimeter” (HGCal), while leaving the barrel detector technology unchanged. T...

  1. Analysing the Wrongness of Killing

    DEFF Research Database (Denmark)

    Di Nucci, Ezio

    2014-01-01

    This article provides an in-depth analysis of the wrongness of killing by comparing different versions of three influential views: the traditional view that killing is always wrong; the liberal view that killing is wrong if and only if the victim does not want to be killed; and Don Marquis‟ future...... of value account of the wrongness of killing. In particular, I illustrate the advantages that a basic version of the liberal view and a basic version of the future of value account have over competing alternatives. Still, ultimately none of the views analysed here are satisfactory; but the different...... reasons why those competing views fail provide important insights into the ethics of killing....

  2. Uncertainty and Sensitivity Analyses Plan

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, J.C.; Ramsdell, J.V. Jr.

    1993-04-01

    Hanford Environmental Dose Reconstruction (HEDR) Project staff are developing mathematical models to be used to estimate the radiation dose that individuals may have received as a result of emissions since 1944 from the US Department of Energy's (DOE) Hanford Site near Richland, Washington. An uncertainty and sensitivity analyses plan is essential to understand and interpret the predictions from these mathematical models. This is especially true in the case of the HEDR models where the values of many parameters are unknown. This plan gives a thorough documentation of the uncertainty and hierarchical sensitivity analysis methods recommended for use on all HEDR mathematical models. The documentation includes both technical definitions and examples. In addition, an extensive demonstration of the uncertainty and sensitivity analysis process is provided using actual results from the Hanford Environmental Dose Reconstruction Integrated Codes (HEDRIC). This demonstration shows how the approaches used in the recommended plan can be adapted for all dose predictions in the HEDR Project.

  3. Hydrogen Analyses in the EPR

    Energy Technology Data Exchange (ETDEWEB)

    Worapittayaporn, S.; Eyink, J.; Movahed, M. [AREVA NP GmbH, P.O. Box 3220, D-91050 Erlangen (Germany)

    2008-07-01

    In severe accidents with core melting large amounts of hydrogen may be released into the containment. The EPR provides a combustible gas control system to prevent hydrogen combustion modes with the potential to challenge the containment integrity due to excessive pressure and temperature loads. This paper outlines the approach for the verification of the effectiveness and efficiency of this system. Specifically, the justification is a multi-step approach. It involves the deployment of integral codes, lumped parameter containment codes and CFD codes and the use of the sigma criterion, which provides the link to the broad experimental data base for flame acceleration (FA) and deflagration to detonation transition (DDT). The procedure is illustrated with an example. The performed analyses show that hydrogen combustion at any time does not lead to pressure or temperature loads that threaten the containment integrity of the EPR. (authors)

  4. Proteins analysed as virtual knots

    CERN Document Server

    Alexander, Keith; Dennis, Mark R

    2016-01-01

    Long, flexible physical filaments are naturally tangled and knotted, from macroscopic string down to long-chain molecules. The existence of knotting in a filament naturally affects its configuration and properties, and may be very stable or disappear rapidly under manipulation and interaction. Knotting has been previously identified in protein backbone chains, for which these mechanical constraints are of fundamental importance to their molecular functionality, despite their being open curves in which the knots are not mathematically well defined; knotting can only be identified by closing the termini of the chain somehow. We introduce a new method for resolving knotting in open curves using virtual knots, a wider class of topological objects that do not require a classical closure and so naturally capture the topological ambiguity inherent in open curves. We describe the results of analysing proteins in the Protein Data Bank by this new scheme, recovering and extending previous knotting results, and identify...

  5. Finite strain analyses of deformations in polymer specimens

    DEFF Research Database (Denmark)

    Tvergaard, Viggo

    2016-01-01

    Analyses of the stress and strain state in test specimens or structural components made of polymer are discussed. This includes the Izod impact test, based on full 3D transient analyses. Also a long thin polymer tube under internal pressure has been studied, where instabilities develop...... viscoplastic flow on the indentation response. Also, the ability of the simpler expanding spherical cavity model to reproduce the trends from the 3D finite element solutions has been assessed....

  6. Waste Stream Analyses for Nuclear Fuel Cycles

    Energy Technology Data Exchange (ETDEWEB)

    N. R. Soelberg

    2010-08-01

    A high-level study was performed in Fiscal Year 2009 for the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE) Advanced Fuel Cycle Initiative (AFCI) to provide information for a range of nuclear fuel cycle options (Wigeland 2009). At that time, some fuel cycle options could not be adequately evaluated since they were not well defined and lacked sufficient information. As a result, five families of these fuel cycle options are being studied during Fiscal Year 2010 by the Systems Analysis Campaign for the DOE NE Fuel Cycle Research and Development (FCRD) program. The quality and completeness of data available to date for the fuel cycle options is insufficient to perform quantitative radioactive waste analyses using recommended metrics. This study has been limited thus far to qualitative analyses of waste streams from the candidate fuel cycle options, because quantitative data for wastes from the front end, fuel fabrication, reactor core structure, and used fuel for these options is generally not yet available.

  7. Modelling and Analysing Socio-Technical Systems

    DEFF Research Database (Denmark)

    Aslanyan, Zaruhi; Ivanova, Marieta Georgieva; Nielson, Flemming

    2015-01-01

    Modern organisations are complex, socio-technical systems consisting of a mixture of physical infrastructure, human actors, policies and processes. An in-creasing number of attacks on these organisations exploits vulnerabilities on all different levels, for example combining a malware attack...... with social engineering. Due to this combination of attack steps on technical and social levels, risk assessment in socio-technical systems is complex. Therefore, established risk assessment methods often abstract away the internal structure of an organisation and ignore human factors when modelling...... and assessing attacks. In our work we model all relevant levels of socio-technical systems, and propose evaluation techniques for analysing the security properties of the model. Our approach simplifies the identification of possible attacks and provides qualified assessment and ranking of attacks based...

  8. Multifractal analyses of music sequences

    Science.gov (United States)

    Su, Zhi-Yuan; Wu, Tzuyin

    2006-09-01

    Multifractal analysis is applied to study the fractal property of music. In this paper, a method is proposed to transform both the melody and rhythm of a music piece into individual sets of distributed points along a one-dimensional line. The structure of the musical composition is thus manifested and characterized by the local clustering pattern of these sequences of points. Specifically, the local Hölder exponent and the multifractal spectrum are calculated for the transformed music sequences according to the multifractal formalism. The observed fluctuations of the Hölder exponent along the music sequences confirm the non-uniformity feature in the structures of melodic and rhythmic motions of music. Our present result suggests that the shape and opening width of the multifractal spectrum plot can be used to distinguish different styles of music. In addition, a characteristic curve is constructed by mapping the point sequences converted from the melody and rhythm of a musical work into a two-dimensional graph. Each different pieces of music has its own unique characteristic curve. This characteristic curve, which also exhibits a fractal trait, unveils the intrinsic structure of music.

  9. Defect assessment in nuclear components: R and D related to industrial problems - synthesis of the research, training and teaching activities; Analyse de nocivite de defauts dans les structures nucleaires: R et D associee aux problemes industriels - synthese des activites de recherche, d'encadrement et d'enseignement

    Energy Technology Data Exchange (ETDEWEB)

    Marie, St

    2007-06-15

    Nuclear industry pays a particular attention to structures integrity problems: well-aware of the possible catastrophic consequence of a major accident, everything is carried out to minimise the risk of such a situation. From the design, and during all the operating life of the plant, a high level of safety is required and checks by the safety authorities, on the basis of reports made by the operator. These two entities ask for R and D activities to support the improvement of the knowledge of the phenomena already identified (as in the case of the vessel of the PWR) or to bring some element of understanding to situation not considered yet, up to the first incident (as in 1998 with the fatigue problems in the thermal mixing zone, at the origin of the Civaux arrest). Among the CEA teams concerned with these problems, the Laboratory of the Structures Integrity and of Normalisation aims to study the integrity problems in metallic nuclear structures leaning on exceptional experimental means: the RESEDA platform allows the realisation of large-scaled tests on analytical tests (representative of analysed phenomena) to reproduce the industrial situation, linked to various and accurate equipment for the measures and the analyses. Three industrial thematics represent to main part of my research activities at CEA in the fracture mechanics field: - the industrial case of the PWR vessel is related to brittle fracture of the ferritic steels, - the piping components, related to ductile tearing and fracture in the brittle-to-ductile domain, - the high temperature fracture mechanics for the components submitted to very complex loadings. (author)

  10. Proteins analysed as virtual knots

    Science.gov (United States)

    Alexander, Keith; Taylor, Alexander J.; Dennis, Mark R.

    2017-02-01

    Long, flexible physical filaments are naturally tangled and knotted, from macroscopic string down to long-chain molecules. The existence of knotting in a filament naturally affects its configuration and properties, and may be very stable or disappear rapidly under manipulation and interaction. Knotting has been previously identified in protein backbone chains, for which these mechanical constraints are of fundamental importance to their molecular functionality, despite their being open curves in which the knots are not mathematically well defined; knotting can only be identified by closing the termini of the chain somehow. We introduce a new method for resolving knotting in open curves using virtual knots, which are a wider class of topological objects that do not require a classical closure and so naturally capture the topological ambiguity inherent in open curves. We describe the results of analysing proteins in the Protein Data Bank by this new scheme, recovering and extending previous knotting results, and identifying topological interest in some new cases. The statistics of virtual knots in protein chains are compared with those of open random walks and Hamiltonian subchains on cubic lattices, identifying a regime of open curves in which the virtual knotting description is likely to be important.

  11. UNDERSTANDING RELIGIOUS VIOLENCE IN INDONESIA: Theological, Structural and Cultural Analyses

    Directory of Open Access Journals (Sweden)

    Ahmad Salehudin

    2012-12-01

    Full Text Available Lately Indonesia is facing a lot of tremendous experience about religious violence. Indonesian Islam which is previously assumed as peaceful religion is suddenly changing to be frightening religion. The destruction in some places such as Bali Bombing, JW Marriot Bombing, and Sampang riot in some places Islam is the trigger of religious violence. This paper discusses the repetition of religious violence in Indonesia especially after New Order era. The writer argues that religious violence in Indonesia is as natural disaster, historical process in human evolution and as close experience that presenting and relating to human history. It may be caused by political condition and the response to economic injustice. In doing so, it is kind of social acceleration toward the process of change and also being a factor of the emergence of new agenda. This is because every disaster, including religious violence, requires an adjustment and a new formulation of the functions that have been damaged.

  12. Structured Intuition: A Methodology to Analyse Entity Authentication

    DEFF Research Database (Denmark)

    Ahmed, Naveed

    Entity authentication is a process of verifying a claimed identity of a network party. It may appear to be a simple goal, but, depending on the application and context, it entails a number of modalities, such as whether the party is currently active on the network, whether the party is willing...... to communicate, and whether the party knows that it has been authenticated. Combining such goals in different ways leads to different flavours of entity authentication. On an unauthenticated channel, an adversary can present a false claim of identity. Clearly, if the adversary succeeds, it may have serious...... network parties. Verification of an authentication protocol to show that it is secure is a hard problem. Most of the reported flaws in authentication protocols are not due to some weakness in the cryptographic primitives used in these protocols. The usual problems lie in improper use of cryptographic...

  13. Severe Accident Recriticality Analyses (SARA)

    Energy Technology Data Exchange (ETDEWEB)

    Frid, W. [Swedish Nuclear Power Inspectorate, Stockholm (Sweden); Hoejerup, F. [Risoe National Lab. (Denmark); Lindholm, I.; Miettinen, J.; Puska, E.K. [VTT Energy, Helsinki (Finland); Nilsson, Lars [Studsvik Eco and Safety AB, Nykoeping (Sweden); Sjoevall, H. [Teoliisuuden Voima Oy (Finland)

    1999-11-01

    Recriticality in a BWR has been studied for a total loss of electric power accident scenario. In a BWR, the B{sub 4}C control rods would melt and relocate from the core before the fuel during core uncovery and heat-up. If electric power returns during this time-window unborated water from ECCS systems will start to reflood the partly control rod free core. Recriticality might take place for which the only mitigating mechanisms are the Doppler effect and void formation. In order to assess the impact of recriticality on reactor safety, including accident management measures, the following issues have been investigated in the SARA project: 1. the energy deposition in the fuel during super-prompt power burst, 2. the quasi steady-state reactor power following the initial power burst and 3. containment response to elevated quasi steady-state reactor power. The approach was to use three computer codes and to further develop and adapt them for the task. The codes were SIMULATE-3K, APROS and RECRIT. Recriticality analyses were carried out for a number of selected reflooding transients for the Oskarshamn 3 plant in Sweden with SIMULATE-3K and for the Olkiluoto 1 plant in Finland with all three codes. The core state initial and boundary conditions prior to recriticality have been studied with the severe accident codes SCDAP/RELAP5, MELCOR and MAAP4. The results of the analyses show that all three codes predict recriticality - both superprompt power bursts and quasi steady-state power generation - for the studied range of parameters, i. e. with core uncovery and heat-up to maximum core temperatures around 1800 K and water flow rates of 45 kg/s to 2000 kg/s injected into the downcomer. Since the recriticality takes place in a small fraction of the core the power densities are high which results in large energy deposition in the fuel during power burst in some accident scenarios. The highest value, 418 cal/g, was obtained with SIMULATE-3K for an Oskarshamn 3 case with reflooding

  14. Aerothermodynamic Analyses of Towed Ballutes

    Science.gov (United States)

    Gnoffo, Peter A.; Buck, Greg; Moss, James N.; Nielsen, Eric; Berger, Karen; Jones, William T.; Rudavsky, Rena

    2006-01-01

    A ballute (balloon-parachute) is an inflatable, aerodynamic drag device for application to planetary entry vehicles. Two challenging aspects of aerothermal simulation of towed ballutes are considered. The first challenge, simulation of a complete system including inflatable tethers and a trailing toroidal ballute, is addressed using the unstructured-grid, Navier-Stokes solver FUN3D. Auxiliary simulations of a semi-infinite cylinder using the rarefied flow, Direct Simulation Monte Carlo solver, DSV2, provide additional insight into limiting behavior of the aerothermal environment around tethers directly exposed to the free stream. Simulations reveal pressures higher than stagnation and corresponding large heating rates on the tether as it emerges from the spacecraft base flow and passes through the spacecraft bow shock. The footprint of the tether shock on the toroidal ballute is also subject to heating amplification. Design options to accommodate or reduce these environments are discussed. The second challenge addresses time-accurate simulation to detect the onset of unsteady flow interactions as a function of geometry and Reynolds number. Video of unsteady interactions measured in the Langley Aerothermodynamic Laboratory 20-Inch Mach 6 Air Tunnel and CFD simulations using the structured grid, Navier-Stokes solver LAURA are compared for flow over a rigid spacecraft-sting-toroid system. The experimental data provides qualitative information on the amplitude and onset of unsteady motion which is captured in the numerical simulations. The presence of severe unsteady fluid - structure interactions is undesirable and numerical simulation must be able to predict the onset of such motion.

  15. Ökonomische Analyse und Bewertung integrierter Versorgungssysteme im Gesundheitswesen

    OpenAIRE

    Schröder, Susanne

    2015-01-01

    This thesis analyses integrated health care systems from an economic point of view. It focuses on the different forms of integrated care which were introduced by the German government to overcome structural shortcomings and inefficiencies in the German health care system resulting from the historically grown fragmented structure. Integrated health care systems primarily aim at improving the effectiveness and efficiency of medical provision. Even though they offer a lot of possibilities and ar...

  16. Break-even Analyses for Random Production and Demand Processes

    Institute of Scientific and Technical Information of China (English)

    Marcus Schweitzer

    2002-01-01

    Break-even analyses are often used as controlling instruments. Typically, they are applied to support decision processes or to gain information for the control of profits and sales. Firstly, the study gives an overview of the basic accounting systems. Secondly, the study shows possible ways of performing break-even analyses for a single-stage, make-to-order production in the case of random production and demand structures. To model these structures, queueing systems are employed. As a general result, we see that break-even analyses must always be performed taking into account an existing planning system. Under practical aspects, GI/G/1 systems turn out to map complex real situations realistically. From the examples given it can be concluded that one achieves different results compared with using a deterministic model even in the case of a simple, random effects approach. In particular, it is shown that stochastic modelling in general is helpful in avoiding incorrect decisions.

  17. Techniques for Analysing Problems in Engineering Projects

    DEFF Research Database (Denmark)

    Thorsteinsson, Uffe

    1998-01-01

    Description of how CPM network can be used for analysing complex problems in engineering projects.......Description of how CPM network can be used for analysing complex problems in engineering projects....

  18. Automatic incrementalization of Prolog based static analyses

    DEFF Research Database (Denmark)

    Eichberg, Michael; Kahl, Matthias; Saha, Diptikalyan;

    2007-01-01

    Modem development environments integrate various static analyses into the build process. Analyses that analyze the whole project whenever the project changes are impractical in this context. We present an approach to automatic incrementalization of analyses that are specified as tabled logic prog...

  19. Structural Behaviour of Reciprocal Structures

    DEFF Research Database (Denmark)

    Parigi, Dario; Kirkegaard, Poul Henning

    2013-01-01

    The present paper focuses on the comparison of several two-dimensional and three-dimensional reciprocal configurations. The goal of such comparison is to analyse the structural behaviour when changing the geometric parameters used to describe the geometry of reciprocal structures....

  20. 正三角形立体管桁架与单层柱面网壳杂交结构的设计与分析%DESIGN AND ANALYSES OF HYBRID-STRUCTURE BY REGULAR TRIANGULAR SPATIAL TRUSSES AND SINGLE-LAYER CYLINDRICAL RETICULATED SHELLS

    Institute of Scientific and Technical Information of China (English)

    王澈泉; 申波; 马克俭; 谢成吉; 李梦

    2014-01-01

    The regular triangular spatial trusses and single-layer cylindrical reticulated shells are integrated into a new roof structure of wave shape , which can give full play to the advantages of the two structures .By analyzing the calculation results of structural design , the structure has a weak seismic response , and through the static calculation the internal force of each bar on the structure greater than that under small earthquakes , strength and stiffness is mainly decided by the static calculation .On the basis of design for the new structure , dynamic elastic-plasticity, linear buckling and nonlinear buckling of considering the initial defects are analysed by using SAP 2000 and ANSYS. The structure has a small amount of plastic hinge under rare earthquake , thus presenting “beam hinge failure”mechanism , which satisfies the requirement of ductility design , elastic-plastic displacement angle can satisfy the requirements of the specification , the structure has good anti-seismic performance .The structure shows local buckling in the middle of reticulated shell under stability analysis , and has higher stability bearing capacity .The weak parts of the structure in the design should be strengthened .%将正三角形立体管桁架和单层柱面网壳结合起来形成一种新型波浪式屋盖造型的结构体系,可充分发挥两种结构形式的优点。通过分析结构设计的计算结果发现,结构对地震反应较弱,静力计算下结构各杆件的内力均大于多遇地震计算,强度及刚度主要由静力计算决定。在对其进行设计的基础上,分别采用SAP 2000、ANSYS对结构进行动力弹塑性分析、线性屈曲分析和考虑初始缺陷的非线性全过程屈曲分析;在罕遇地震作用下结构只出现少量塑性铰,呈“梁铰破坏”机制,满足延性设计要求,弹塑性位移角均满足规范要求,结构抗震性能良好;在稳定性分析中,结构表现为中部网壳

  1. Sentence Structure

    CERN Document Server

    Fabb, Nigel

    2012-01-01

    Sentence Structure:introduces the evidence for sentence structure and reveals its purposeis based on a problem-solving approach to languageteaches the reader how to identify word classes, such as noun, preposition and demonstrativeuses simple tree structures to analyse sentencescontains numerous exercises to encourage practical skills of sentence analysisincludes a database and exercises that compare the structure of English with other languages.The second edition of Sentence Structure has been revised and updated throughout and includes new material on tense, aspect, modality and the verb phr

  2. [Anne Arold. Kontrastive Analyse...] / Paul Alvre

    Index Scriptorium Estoniae

    Alvre, Paul, 1921-2008

    2001-01-01

    Arvustus: Arold, Anne. Kontrastive analyse der Wortbildungsmuster im Deutschen und im Estnischen (am Beispiel der Aussehensadjektive). Tartu, 2000. (Dissertationes philologiae germanicae Universitatis Tartuensis)

  3. 7 CFR 94.102 - Analyses available.

    Science.gov (United States)

    2010-01-01

    ... analyses for total ash, fat by acid hydrolysis, moisture, salt, protein, beta-carotene, catalase... monocytogenes, proteolytic count, psychrotrophic bacteria, Salmonella, Staphylococcus, thermoduric bacteria,...

  4. On the molecular and supramolecular properties of N,N‧-disubstituted iminoisoindolines: Synthesis, spectroscopy, X-ray structure and Hirshfeld surface analyses, and DFT calculations of two (E)-N,N‧-bis(aryl)iminoisoindolines (aryl = 2-tert-butylphenyl or perfluorophenyl)

    Science.gov (United States)

    Bitzer, Rodrigo S.; Visentin, Lorenzo C.; Hörner, Manfredo; Nascimento, Marco A. C.; Filgueiras, Carlos A. L.

    2017-02-01

    Supramolecular studies of iminoisoindoline-derived compounds have been prompted by their biological and photophysical properties. In this article, we report the synthesis, spectroscopy, X-ray structural characterization, and DFT study of two N,N‧-(aryl)-disubstituted 1-iminoisoindolines, namely (E)-N,N‧-bis(2-tert-butylphenyl)iminoisoindoline (2-t-BuPhimiso) and (E)-N,N‧-bis(perfluorophenyl)iminoisoindoline (F5Phimiso). Our X-ray structural analyses have shown that the isoindoline N2 atom of 2-t-BuPhimiso is slightly pyramidalized whereas the respective atom of F5Phimiso displays the expected trigonal planar geometry. The supramolecular arrangement of 2-t-BuPhimiso comprises one-dimensional chains along the [101] direction formed by Csbnd H···πarene interactions, in which the isoindoline ring behaves as a hydrogen-bond donor. For 2-t-BuPhimiso, DFT calculations at the B97-D3/6-311G** level have shown that the dimer formed by this Csbnd H···πarene contact displays a binding energy of -12.83 kcal mol-1. Product F5Phimiso assembles in the crystal state through type-I F3 synthons in addition to Csbnd H⋯F, C-Fδ-···πF+, and πarene/F-πarene/F stacking interactions. Accordingly, our DFT-D3 calculations have confirmed that these interactions synergistically play a dominating role in the crystal packing of F5Phimiso. Finally, the relative stability of the (Z) and (E) isomers of each product has been evaluated at the DFT level of theory. Our calculations have shown that the (E) forms are the most stable ones.

  5. Analyse structurale de la phase Li 1+ xGe 2- xN 3-3 xO 3 x par diffraction de neutrons selon la methode du temps de vol: Mise en evidence d'une structure tetraedrique normale partiellement ordonnee

    Science.gov (United States)

    Bacher, P.; Malhaire, J. M.; Guyader, J.; Roult, G.; Laurent, Y.

    1984-02-01

    L'action de NH 3 sur les germanates de lithium entre 680 et 800°C conduita`l'obtention d'une phase de formule Li 1+ xGe 2- xN 3-3 xO 3 x avec0,04 ≤ x ≤ 0,33. Le composépour lequel x = 0,33aétéétudiépar diffraction de neutrons selon la méthode du temps de vol et analyse de profil des raies de diffraction. La structure tétraédrique normale dérive de celle de la wurtzite (groupe spatial Cmc2 1). Les atomes d'oxyge`ne et d'azote sont répartis de façon statistique sur les sites anioniques. On observe un ordre partiel des atomes de lithium et de germanium sur les sites cationiques en accord avec le calcul selon Pauling des forces de liaisons dirigées.

  6. Novel Algorithms for Astronomical Plate Analyses

    Indian Academy of Sciences (India)

    Rene Hudec; Lukas Hudec

    2011-03-01

    Powerful computers and dedicated software allow effective data mining and scientific analyses in astronomical plate archives. We give and discuss examples of newly developed algorithms for astronomical plate analyses, e.g., searches for optical transients, as well as for major spectral and brightness changes.

  7. Moving Crystal Slow-Neutron Wavelength Analyser

    DEFF Research Database (Denmark)

    Buras, B.; Kjems, Jørgen

    1973-01-01

    Experimental proof that a moving single crystal can serve as a slow-neutron wavelength analyser of special features is presented. When the crystal moves with a velocity h/(2 md) (h-Planck constant, m-neutron mass, d-interplanar spacing) perpendicular to the diffracting plane and the analysed...

  8. Economische analyse van de Nederlandse biotechnologiesector

    NARCIS (Netherlands)

    Giessen, A.M. van der; Gijsbers, G.W.; Koops, R.; Zee, F.A. van der

    2014-01-01

    In opdracht van de Commissie Genetische Modificatie (COGEM) heeft TNO een deskstudie uitgevoerd getiteld “Economische analyse van de Nederlandse biotechnologiesector”. Deze analyse is één van de voorstudies die de COGEM laat uitvoeren als voorbereiding op de Trendanalyse Biotechnologie, die naar ver

  9. Using Inequality Measures to Incorporate Environmental Justice into Regulatory Analyses

    Directory of Open Access Journals (Sweden)

    Jonathan I. Levy

    2013-08-01

    Full Text Available Formally evaluating how specific policy measures influence environmental justice is challenging, especially in the context of regulatory analyses in which quantitative comparisons are the norm. However, there is a large literature on developing and applying quantitative measures of health inequality in other settings, and these measures may be applicable to environmental regulatory analyses. In this paper, we provide information to assist policy decision makers in determining the viability of using measures of health inequality in the context of environmental regulatory analyses. We conclude that quantification of the distribution of inequalities in health outcomes across social groups of concern, considering both within-group and between-group comparisons, would be consistent with both the structure of regulatory analysis and the core definition of environmental justice. Appropriate application of inequality indicators requires thorough characterization of the baseline distribution of exposures and risks, leveraging data generally available within regulatory analyses. Multiple inequality indicators may be applicable to regulatory analyses, and the choice among indicators should be based on explicit value judgments regarding the dimensions of environmental justice of greatest interest.

  10. Level II Ergonomic Analyses, Dover AFB, DE

    Science.gov (United States)

    1999-02-01

    IERA-RS-BR-TR-1999-0002 UNITED STATES AIR FORCE IERA Level II Ergonomie Analyses, Dover AFB, DE Andrew Marcotte Marilyn Joyce The Joyce...Project (070401881, Washington, DC 20503. 1. AGENCY USE ONLY (Leave blank) 2. REPORT DATE 4. TITLE AND SUBTITLE Level II Ergonomie Analyses, Dover...1.0 INTRODUCTION 1-1 1.1 Purpose Of The Level II Ergonomie Analyses : 1-1 1.2 Approach 1-1 1.2.1 Initial Shop Selection and Administration of the

  11. Cost-Benefit Analyses of Transportation Investments

    DEFF Research Database (Denmark)

    Næss, Petter

    2006-01-01

    This paper discusses the practice of cost-benefit analyses of transportation infrastructure investment projects from the meta-theoretical perspective of critical realism. Such analyses are based on a number of untenable ontological assumptions about social value, human nature and the natural...... environment. In addition, main input data are based on transport modelling analyses based on a misleading `local ontology' among the model makers. The ontological misconceptions translate into erroneous epistemological assumptions about the possibility of precise predictions and the validity of willingness......-to-pay investigations. Accepting the ontological and epistemological assumptions of cost-benefit analysis involves an implicit acceptance of the ethical and political values favoured by these assumptions. Cost-benefit analyses of transportation investment projects tend to neglect long-term environmental consequences...

  12. Anthocyanin analyses of Vaccinium fruit dietary supplements

    Science.gov (United States)

    Vaccinium fruit ingredients within dietary supplements were identified by comparisons with anthocyanin analyses of known Vaccinium profiles (demonstration of anthocyanin fingerprinting). Available Vaccinium supplements were purchased and analyzed; their anthocyanin profiles (based on HPLC separation...

  13. Analyse of Maintenance Cost in ST

    CERN Document Server

    Jenssen, B W

    2001-01-01

    An analyse has been carried out in ST concerning the total costs for the division. Even though the target was the maintenance costs in ST, the global budget over has been analysed. This has been done since there is close relation between investments & consolidation and the required level for maintenance. The purpose of the analyse was to focus on maintenance cost in ST as a ratio of total maintenance costs over the replacement value of the equipment, and to make some comparisons with other industries and laboratories. Families of equipment have been defined and their corresponding ratios calculated. This first approach gives us some "quantitative" measurements. This analyse should be combined with performance indicators (more "qualitative" measurements) that are telling us how well we are performing. This will help us in defending our budget, make better priorities, and we will satisfy the requirements from our external auditors.

  14. Understanding Human Error Based on Automated Analyses

    Data.gov (United States)

    National Aeronautics and Space Administration — This is a report on a continuing study of automated analyses of experiential textual reports to gain insight into the causal factors of human errors in aviation...

  15. Micromechanical photothermal analyser of microfluidic samples

    DEFF Research Database (Denmark)

    2014-01-01

    The present invention relates to a micromechanical photothermal analyser of microfluidic samples comprising an oblong micro-channel extending longitudinally from a support element, the micro-channel is made from at least two materials with different thermal expansion coefficients, wherein......, or infrared light, the specific light radiates into the channel through said light transparent material, the second material has a second thermal expansion coefficient being different from the first thermal expansion coefficient. The micromechanical photothermal analyser also comprises an irradiation source...

  16. En kritisk analyse af Leviathan & Samfundspagten

    OpenAIRE

    Bjelobrk, Aleksandar

    2006-01-01

    I denne rapport undersøges de politiske filosoffer Thomas Hobbes’ (1588-1679) og Jean-Jacques Rousseaus (1712-1778) udgaver af kontraktteorien. Med udgangspunkt i Leviathan del 1, Of Man og del 2, Of Common-Wealth af Thomas Hobbes (Hobbes 1991, oprindelig udgivet 1651) og Samfundspagten af Jean-Jacques Rousseau (Rousseau 1987, oprindelig udgivet 1762) klarlægges inkonsisten i deres teorier gennem to separate analyser. Med udgangspunkt i den fundne inkonsistens foretages en komparativ analyse,...

  17. Social Network Analyses and Nutritional Behavior: An Integrated Modeling Approach

    Directory of Open Access Journals (Sweden)

    Alistair McNair Senior

    2016-01-01

    Full Text Available Animals have evolved complex foraging strategies to obtain a nutritionally balanced diet and associated fitness benefits. Recent advances in nutrition research, combining state-space models of nutritional geometry with agent-based models of systems biology, show how nutrient targeted foraging behavior can also influence animal social interactions, ultimately affecting collective dynamics and group structures. Here we demonstrate how social network analyses can be integrated into such a modeling framework and provide a tangible and practical analytical tool to compare experimental results with theory. We illustrate our approach by examining the case of nutritionally mediated dominance hierarchies. First we show how nutritionally explicit agent-based models that simulate the emergence of dominance hierarchies can be used to generate social networks. Importantly the structural properties of our simulated networks bear similarities to dominance networks of real animals (where conflicts are not always directly related to nutrition. Finally, we demonstrate how metrics from social network analyses can be used to predict the fitness of agents in these simulated competitive environments. Our results highlight the potential importance of nutritional mechanisms in shaping dominance interactions in a wide range of social and ecological contexts. Nutrition likely influences social interaction in many species, and yet a theoretical framework for exploring these effects is currently lacking. Combining social network analyses with computational models from nutritional ecology may bridge this divide, representing a pragmatic approach for generating theoretical predictions for nutritional experiments.

  18. Airbags to Martian Landers: Analyses at Sandia National Laboratories

    Energy Technology Data Exchange (ETDEWEB)

    Gwinn, K.W.

    1994-03-01

    A new direction for the national laboratories is to assist US business with research and development, primarily through cooperative research and development agreements (CRADAs). Technology transfer to the private sector has been very successful as over 200 CRADAs are in place at Sandia. Because of these cooperative efforts, technology has evolved into some new areas not commonly associated with the former mission of the national laboratories. An example of this is the analysis of fabric structures. Explicit analyses and expertise in constructing parachutes led to the development of a next generation automobile airbag; which led to the construction, testing, and analysis of the Jet Propulsion Laboratory Mars Environmental Survey Lander; and finally led to the development of CAD based custom garment designs using 3D scanned images of the human body. The structural analysis of these fabric structures is described as well as a more traditional example Sandia with the test/analysis correlation of the impact of a weapon container.

  19. Towards sustainable innovation : analysing and dealing with systemic problems in innovation systems

    NARCIS (Netherlands)

    Wieczorek, Anna

    2014-01-01

    Technological Innovation System (TIS) perspective became a popular tool to analyse and understand the diffusion of particular, mostly renewable, technologies and their contribution to sustainability transitions. The core of the current TIS studies comprise of the analyses of the emergent structural

  20. Random error in cardiovascular meta-analyses

    DEFF Research Database (Denmark)

    Albalawi, Zaina; McAlister, Finlay A; Thorlund, Kristian;

    2013-01-01

    BACKGROUND: Cochrane reviews are viewed as the gold standard in meta-analyses given their efforts to identify and limit systematic error which could cause spurious conclusions. The potential for random error to cause spurious conclusions in meta-analyses is less well appreciated. METHODS: We...... examined all reviews approved and published by the Cochrane Heart Group in the 2012 Cochrane Library that included at least one meta-analysis with 5 or more randomized trials. We used trial sequential analysis to classify statistically significant meta-analyses as true positives if their pooled sample size...... but infrequently recognized, even among methodologically robust reviews published by the Cochrane Heart Group. Meta-analysts and readers should incorporate trial sequential analysis when interpreting results....

  1. A theoretical framework for analysing preschool teaching

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2014-01-01

    This article introduces a theoretical framework for analysing preschool teaching as a historically-grounded societal practice. The aim is to present a unified framework that can be used to analyse and compare both historical and contemporary examples of preschool teaching practice within and across...... national traditions. The framework has two main components, an analysis of preschool teaching as a practice, formed in relation to societal needs, and an analysis of the categorical relations which necessarily must be addressed in preschool teaching activity. The framework is introduced and illustrated...... through the analysis of one of the earliest recorded examples of preschool education (initiated by J. F. Oberlin in northeastern France in 1767). The general idea of societal need is elaborated as a way of analysing practices, and a general analytic schema is presented for characterising preschool...

  2. Eksakte metodar for analyse av tovegstabellar

    OpenAIRE

    Aaberge, Rolf

    1980-01-01

    Dei fleste matematisk-statistiske metodane som er utvikla til analyse av tabellar, byggjer på føresetnader om at talet på observasjonar i tabellcellene er "stort. Haldorsen (1977a) og (1977b) omtalar metodar som kviler på dette kravet. I denne rapporten skal vi presentere eksakte metodar for analyse av to-vegstabel lar, dvs. metodar som er gyldige sjølv om vi har småe observasjonstal i tabellcellene. I mange undersøkingar vil observasjonane ofte gi uttrykk for kva slags ...

  3. The application analyses for primary spectrum pyrometer

    Institute of Scientific and Technical Information of China (English)

    FU; TaiRan

    2007-01-01

    In the applications of primary spectrum pyrometry, based on the dynamic range and the minimum sensibility of the sensor, the application issues, such as the measurement range and the measurement partition, were investigated through theoretical analyses. For a developed primary spectrum pyrometer, the theoretical predictions of measurement range and the distributions of measurement partition were presented through numerical simulations. And the measurement experiments of high-temperature blackbody and standard temperature lamp were processed to further verify the above theoretical analyses and numerical results. Therefore the research in the paper provides the helpful supports for the applications of primary spectrum pyrometer and other radiation pyrometers.……

  4. Identifying, analysing and solving problems in practice.

    Science.gov (United States)

    Hewitt-Taylor, Jaqui

    When a problem is identified in practice, it is important to clarify exactly what it is and establish the cause before seeking a solution. This solution-seeking process should include input from those directly involved in the problematic situation, to enable individuals to contribute their perspective, appreciate why any change in practice is necessary and what will be achieved by the change. This article describes some approaches to identifying and analysing problems in practice so that effective solutions can be devised. It includes a case study and examples of how the Five Whys analysis, fishbone diagram, problem tree analysis, and Seven-S Model can be used to analyse a problem.

  5. Finite element analyses for seismic shear wall international standard problem

    Energy Technology Data Exchange (ETDEWEB)

    Park, Y.J.; Hofmayer, C.H.

    1998-04-01

    Two identical reinforced concrete (RC) shear walls, which consist of web, flanges and massive top and bottom slabs, were tested up to ultimate failure under earthquake motions at the Nuclear Power Engineering Corporation`s (NUPEC) Tadotsu Engineering Laboratory, Japan. NUPEC provided the dynamic test results to the OECD (Organization for Economic Cooperation and Development), Nuclear Energy Agency (NEA) for use as an International Standard Problem (ISP). The shear walls were intended to be part of a typical reactor building. One of the major objectives of the Seismic Shear Wall ISP (SSWISP) was to evaluate various seismic analysis methods for concrete structures used for design and seismic margin assessment. It also offered a unique opportunity to assess the state-of-the-art in nonlinear dynamic analysis of reinforced concrete shear wall structures under severe earthquake loadings. As a participant of the SSWISP workshops, Brookhaven National Laboratory (BNL) performed finite element analyses under the sponsorship of the U.S. Nuclear Regulatory Commission (USNRC). Three types of analysis were performed, i.e., monotonic static (push-over), cyclic static and dynamic analyses. Additional monotonic static analyses were performed by two consultants, F. Vecchio of the University of Toronto (UT) and F. Filippou of the University of California at Berkeley (UCB). The analysis results by BNL and the consultants were presented during the second workshop in Yokohama, Japan in 1996. A total of 55 analyses were presented during the workshop by 30 participants from 11 different countries. The major findings on the presented analysis methods, as well as engineering insights regarding the applicability and reliability of the FEM codes are described in detail in this report. 16 refs., 60 figs., 16 tabs.

  6. Integrated genomic analyses of ovarian carcinoma

    NARCIS (Netherlands)

    Bell, D.; Berchuck, A.; Birrer, M.; Chien, J.; Dao, F.; Dhir, R.; DiSaia, P.; Gabra, H.; Glenn, P.; Godwin, A. K.; Gross, J.; Hartmann, L.; Huang, M.; Huntsman, D. G.; Iacocca, M.; Imielinski, M.; Kalloger, S.; Karlan, B. Y.; Levine, D. A.; Mills, G. B.; Morrison, C.; Mutch, D.; Olvera, N.; Orsulic, S.; Park, K.; Petrelli, N.; Rabeno, B.; Rader, J. S.; Sikic, B. I.; Smith-McCune, K.; Sood, A. K.; Bowtell, D.; Penny, R.; Testa, J. R.; Chang, K.; Dinh, H. H.; Drummond, J. A.; Fowler, G.; Gunaratne, P.; Hawes, A. C.; Kovar, C. L.; Lewis, L. R.; Morgan, M. B.; Newsham, I. F.; Santibanez, J.; Reid, J. G.; Trevino, L. R.; Wu, Y. -Q.; Wang, M.; Muzny, D. M.; Wheeler, D. A.; Gibbs, R. A.; Getz, G.; Lawrence, M. S.; Cibulskis, K.; Sivachenko, A. Y.; Sougnez, C.; Voet, D.; Wilkinson, J.; Bloom, T.; Ardlie, K.; Fennell, T.; Baldwin, J.; Gabriel, S.; Lander, E. S.; Ding, L.; Fulton, R. S.; Koboldt, D. C.; McLellan, M. D.; Wylie, T.; Walker, J.; O'Laughlin, M.; Dooling, D. J.; Fulton, L.; Abbott, R.; Dees, N. D.; Zhang, Q.; Kandoth, C.; Wendl, M.; Schierding, W.; Shen, D.; Harris, C. C.; Schmidt, H.; Kalicki, J.; Delehaunty, K. D.; Fronick, C. C.; Demeter, R.; Cook, L.; Wallis, J. W.; Lin, L.; Magrini, V. J.; Hodges, J. S.; Eldred, J. M.; Smith, S. M.; Pohl, C. S.; Vandin, F.; Raphael, B. J.; Weinstock, G. M.; Mardis, R.; Wilson, R. K.; Meyerson, M.; Winckler, W.; Getz, G.; Verhaak, R. G. W.; Carter, S. L.; Mermel, C. H.; Saksena, G.; Nguyen, H.; Onofrio, R. C.; Lawrence, M. S.; Hubbard, D.; Gupta, S.; Crenshaw, A.; Ramos, A. H.; Ardlie, K.; Chin, L.; Protopopov, A.; Zhang, Juinhua; Kim, T. M.; Perna, I.; Xiao, Y.; Zhang, H.; Ren, G.; Sathiamoorthy, N.; Park, R. W.; Lee, E.; Park, P. J.; Kucherlapati, R.; Absher, D. M.; Waite, L.; Sherlock, G.; Brooks, J. D.; Li, J. Z.; Xu, J.; Myers, R. M.; Laird, P. W.; Cope, L.; Herman, J. G.; Shen, H.; Weisenberger, D. J.; Noushmehr, H.; Pan, F.; Triche, T.; Berman, B. P.; Van den Berg, D. J.; Buckley, J.; Baylin, S. B.; Spellman, P. T.; Purdom, E.; Neuvial, P.; Bengtsson, H.; Jakkula, L. R.; Durinck, S.; Han, J.; Dorton, S.; Marr, H.; Choi, Y. G.; Wang, V.; Wang, N. J.; Ngai, J.; Conboy, J. G.; Parvin, B.; Feiler, H. S.; Speed, T. P.; Gray, J. W.; Levine, D. A.; Socci, N. D.; Liang, Y.; Taylor, B. S.; Schultz, N.; Borsu, L.; Lash, A. E.; Brennan, C.; Viale, A.; Sander, C.; Ladanyi, M.; Hoadley, K. A.; Meng, S.; Du, Y.; Shi, Y.; Li, L.; Turman, Y. J.; Zang, D.; Helms, E. B.; Balu, S.; Zhou, X.; Wu, J.; Topal, M. D.; Hayes, D. N.; Perou, C. M.; Getz, G.; Voet, D.; Saksena, G.; Zhang, Junihua; Zhang, H.; Wu, C. J.; Shukla, S.; Cibulskis, K.; Lawrence, M. S.; Sivachenko, A.; Jing, R.; Park, R. W.; Liu, Y.; Park, P. J.; Noble, M.; Chin, L.; Carter, H.; Kim, D.; Karchin, R.; Spellman, P. T.; Purdom, E.; Neuvial, P.; Bengtsson, H.; Durinck, S.; Han, J.; Korkola, J. E.; Heiser, L. M.; Cho, R. J.; Hu, Z.; Parvin, B.; Speed, T. P.; Gray, J. W.; Schultz, N.; Cerami, E.; Taylor, B. S.; Olshen, A.; Reva, B.; Antipin, Y.; Shen, R.; Mankoo, P.; Sheridan, R.; Ciriello, G.; Chang, W. K.; Bernanke, J. A.; Borsu, L.; Levine, D. A.; Ladanyi, M.; Sander, C.; Haussler, D.; Benz, C. C.; Stuart, J. M.; Benz, S. C.; Sanborn, J. Z.; Vaske, C. J.; Zhu, J.; Szeto, C.; Scott, G. K.; Yau, C.; Hoadley, K. A.; Du, Y.; Balu, S.; Hayes, D. N.; Perou, C. M.; Wilkerson, M. D.; Zhang, N.; Akbani, R.; Baggerly, K. A.; Yung, W. K.; Mills, G. B.; Weinstein, J. N.; Penny, R.; Shelton, T.; Grimm, D.; Hatfield, M.; Morris, S.; Yena, P.; Rhodes, P.; Sherman, M.; Paulauskis, J.; Millis, S.; Kahn, A.; Greene, J. M.; Sfeir, R.; Jensen, M. A.; Chen, J.; Whitmore, J.; Alonso, S.; Jordan, J.; Chu, A.; Zhang, Jinghui; Barker, A.; Compton, C.; Eley, G.; Ferguson, M.; Fielding, P.; Gerhard, D. S.; Myles, R.; Schaefer, C.; Shaw, K. R. Mills; Vaught, J.; Vockley, J. B.; Good, P. J.; Guyer, M. S.; Ozenberger, B.; Peterson, J.; Thomson, E.; Cramer, D.W.

    2011-01-01

    A catalogue of molecular aberrations that cause ovarian cancer is critical for developing and deploying therapies that will improve patients' lives. The Cancer Genome Atlas project has analysed messenger RNA expression, microRNA expression, promoter methylation and DNA copy number in 489 high-grade

  7. Meta-analyses on viral hepatitis

    DEFF Research Database (Denmark)

    Gluud, Lise L; Gluud, Christian

    2009-01-01

    This article summarizes the meta-analyses of interventions for viral hepatitis A, B, and C. Some of the interventions assessed are described in small trials with unclear bias control. Other interventions are supported by large, high-quality trials. Although attempts have been made to adjust...

  8. The Economic Cost of Homosexuality: Multilevel Analyses

    Science.gov (United States)

    Baumle, Amanda K.; Poston, Dudley, Jr.

    2011-01-01

    This article builds on earlier studies that have examined "the economic cost of homosexuality," by using data from the 2000 U.S. Census and by employing multilevel analyses. Our findings indicate that partnered gay men experience a 12.5 percent earnings penalty compared to married heterosexual men, and a statistically insignificant earnings…

  9. Chemical Analyses of Silicon Aerogel Samples

    CERN Document Server

    van der Werf, I; De Leo, R; Marrone, S

    2008-01-01

    After five years of operating, two Aerogel counters: A1 and A2, taking data in Hall A at Jefferson Lab, suffered a loss of performance. In this note possible causes of degradation have been studied. In particular, various chemical and physical analyses have been carried out on several Aerogel tiles and on adhesive tape in order to reveal the presence of contaminants.

  10. Antigen/Antibody Analyses in Leishmaniasis.

    Science.gov (United States)

    1983-09-01

    antibodies in human sera with antigens of protozoan parasites . It was found that enzyme substrate reactions had distinct advantages over typical...autoradiographic procedures. Analyses of various sera identified a number of antigens of protozoan parasites which may be useful in discriminating infections

  11. Cosmetology: Task Analyses. Competency-Based Education.

    Science.gov (United States)

    Henrico County Public Schools, Glen Allen, VA. Virginia Vocational Curriculum Center.

    These task analyses are designed to be used in combination with the "Trade and Industrial Education Service Area Resource" in order to implement competency-based education in the cosmetology program in Virginia. The task analysis document contains the task inventory, suggested task sequence lists, and content outlines for the secondary…

  12. Comparison of veterinary import risk analyses studies

    NARCIS (Netherlands)

    Vos-de Jong, de C.J.; Conraths, F.J.; Adkin, A.; Jones, E.M.; Hallgren, G.S.; Paisley, L.G.

    2011-01-01

    Twenty-two veterinary import risk analyses (IRAs) were audited: a) for inclusion of the main elements of risk analysis; b) between different types of IRAs; c) between reviewers' scores. No significant differences were detected between different types of IRAs, although quantitative IRAs and IRAs publ

  13. Written Case Analyses and Critical Reflection.

    Science.gov (United States)

    Harrington, Helen L.; And Others

    1996-01-01

    The study investigated the use of case-based pedagogy to develop critical reflection in prospective teachers. Analysis of students written analyses of dilemma-based cases found patterns showing evidence of students open-mindedness, sense of professional responsibility, and wholeheartedness in approach to teaching. (DB)

  14. Systematic review and meta-analyses

    DEFF Research Database (Denmark)

    Dreier, Julie Werenberg; Andersen, Anne-Marie Nybo; Berg-Beckhoff, Gabriele

    2014-01-01

    1990 were excluded. RESULTS: The available literature supported an increased risk of adverse offspring health in association with fever during pregnancy. The strongest evidence was available for neural tube defects, congenital heart defects, and oral clefts, in which meta-analyses suggested between a 1...

  15. What's missing from avian global diversification analyses?

    Science.gov (United States)

    Reddy, Sushma

    2014-08-01

    The accumulation of vast numbers of molecular phylogenetic studies has contributed to huge knowledge gains in the evolutionary history of birds. This permits subsequent analyses of avian diversity, such as how and why diversification varies across the globe and among taxonomic groups. However, available genetic data for these meta-analyses are unevenly distributed across different geographic regions and taxonomic groups. To comprehend the impact of this variation on the interpretation of global diversity patterns, I examined the availability of genetic data for possible biases in geographic and taxonomic sampling of birds. I identified three main disparities of sampling that are geographically associated with latitude (temperate, tropical), hemispheres (East, West), and range size. Tropical regions, which host the vast majority of species, are substantially less studied. Moreover, Eastern regions, such as the Old World Tropics and Australasia, stand out as being disproportionately undersampled, with up to half of communities not being represented in recent studies. In terms of taxonomic discrepancies, a majority of genetically undersampled clades are exclusively found in tropical regions. My analysis identifies several disparities in the key regions of interest of global diversity analyses. Differential sampling can have considerable impacts on these global comparisons and call into question recent interpretations of latitudinal or hemispheric differences of diversification rates. Moreover, this review pinpoints understudied regions whose biota are in critical need of modern systematic analyses.

  16. Analyses of hydraulic performance of velocity caps

    DEFF Research Database (Denmark)

    Christensen, Erik Damgaard; Degn Eskesen, Mark Chr.; Buhrkall, Jeppe;

    2014-01-01

    The hydraulic performance of a velocity cap has been investigated. Velocity caps are often used in connection with offshore intakes. CFD (computational fluid dynamics) examined the flow through the cap openings and further down into the intake pipes. This was combined with dimension analyses...

  17. Uncertainty quantification approaches for advanced reactor analyses.

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, L. L.; Nuclear Engineering Division

    2009-03-24

    The original approach to nuclear reactor design or safety analyses was to make very conservative modeling assumptions so as to ensure meeting the required safety margins. Traditional regulation, as established by the U. S. Nuclear Regulatory Commission required conservatisms which have subsequently been shown to be excessive. The commission has therefore moved away from excessively conservative evaluations and has determined best-estimate calculations to be an acceptable alternative to conservative models, provided the best-estimate results are accompanied by an uncertainty evaluation which can demonstrate that, when a set of analysis cases which statistically account for uncertainties of all types are generated, there is a 95% probability that at least 95% of the cases meet the safety margins. To date, nearly all published work addressing uncertainty evaluations of nuclear power plant calculations has focused on light water reactors and on large-break loss-of-coolant accident (LBLOCA) analyses. However, there is nothing in the uncertainty evaluation methodologies that is limited to a specific type of reactor or to specific types of plant scenarios. These same methodologies can be equally well applied to analyses for high-temperature gas-cooled reactors and to liquid metal reactors, and they can be applied to steady-state calculations, operational transients, or severe accident scenarios. This report reviews and compares both statistical and deterministic uncertainty evaluation approaches. Recommendations are given for selection of an uncertainty methodology and for considerations to be factored into the process of evaluating uncertainties for advanced reactor best-estimate analyses.

  18. Metodekombination med kritisk analyse

    DEFF Research Database (Denmark)

    Bilfeldt, Annette

    2007-01-01

    "Metodekombination med kritisk teoretisk analyse" fremlægger en kombinationsmetode, der bygges op om en problemstilling med et normativt grundlag for studiet af køn og arbejdsliv. Med fokus på rationalitet og humaniseringsbarrierer i arbejdslivet lægges der med inspiration fra Marie Jahoda op til...

  19. Visualization of transient finite element analyses on large unstructured grids

    Energy Technology Data Exchange (ETDEWEB)

    Dovey, D.

    1995-03-22

    Three-dimensional transient finite element analysis is performed on unstructured grids. A trend toward running larger analysis problems, combined with a desire for interactive animation of analysis results, demands efficient visualization techniques. This paper discusses a set of data structures and algorithms for visualizing transient analysis results on unstructured grids and introduces some modifications in order to better support large grids. In particular, an element grouping approach is used to reduce the amount of memory needed for external surface determination and to speed up ``point in element`` tests. The techniques described lend themselves to visualization of analyses carried out in parallel on a massively parallel computer (MPC).

  20. Litter size, fur quality and genetic analyses of American mink

    DEFF Research Database (Denmark)

    Thirstrup, Janne Pia

    Mink is a production animal breed for the fur. Both quality and quantity of the produced skin are important for the producer. In these analyses both fur quality traits, such as structure of guard hair and wool, which determines the quality of the skin, and litter size which determines the quantity...... of the skin, have been analyzed. Both fur quality traits and litter size are complex traits underlying quantitative genetic variation. Methods for estimating genetic variance, spanning from pedigree information to the use of different genetic markers, have been utilized in order to gain knowledge about...

  1. New environmental metabarcodes for analysing soil DNA

    DEFF Research Database (Denmark)

    Epp, Laura S.; Boessenkool, Sanne; Bellemain, Eva P.

    2012-01-01

    was systematically evaluated by (i) in silico PCRs using all standard sequences in the EMBL public database as templates, (ii) in vitro PCRs of DNA extracts from surface soil samples from a site in Varanger, northern Norway and (iii) in vitro PCRs of DNA extracts from permanently frozen sediment samples of late......Metabarcoding approaches use total and typically degraded DNA from environmental samples to analyse biotic assemblages and can potentially be carried out for any kinds of organisms in an ecosystem. These analyses rely on specific markers, here called metabarcodes, which should be optimized...... in the environmental DNA, but we found large variation in the level of detection among the groups and between modern and ancient samples. Success rates for the Pleistocene samples were highest for fungal DNA, whereas bryophyte, beetle and bird sequences could also be retrieved, but to a much lesser degree...

  2. Reliability of chemical analyses of water samples

    Energy Technology Data Exchange (ETDEWEB)

    Beardon, R.

    1989-11-01

    Ground-water quality investigations require reliable chemical analyses of water samples. Unfortunately, laboratory analytical results are often unreliable. The Uranium Mill Tailings Remedial Action (UMTRA) Project`s solution to this problem was to establish a two phase quality assurance program for the analysis of water samples. In the first phase, eight laboratories analyzed three solutions of known composition. The analytical accuracy of each laboratory was ranked and three laboratories were awarded contracts. The second phase consists of on-going monitoring of the reliability of the selected laboratories. The following conclusions are based on two years experience with the UMTRA Project`s Quality Assurance Program. The reliability of laboratory analyses should not be taken for granted. Analytical reliability may be independent of the prices charged by laboratories. Quality assurance programs benefit both the customer and the laboratory.

  3. Direct amino acid analyses of mozzarella cheese.

    Science.gov (United States)

    Hoskins, M N

    1985-12-01

    The amino acid content of mozzarella (low moisture, part skim milk) and asadero cheeses was determined by the column chromatographic method. Data from the direct analyses of the mozzarella cheeses were compared with the calculated amino acid composition reported in tables in Agriculture Handbook No. 8-1. Phenylalanine and tyrosine contents were found to be higher in the direct analyses than in the calculated data in Handbook No. 8-1 (1.390 gm and 1.127 gm for phenylalanine, and 1.493 gm and 1.249 gm for tyrosine per 100 gm edible portion, respectively). That is of particular concern in the dietary management of phenylketonuria, in which accuracy in computing levels of phenylalanine and tyrosine is essential.

  4. Analyses of cavitation instabilities in ductile metals

    DEFF Research Database (Denmark)

    Tvergaard, Viggo

    2007-01-01

    , and also tests for a thin ductile metal layer bonding two ceramic blocks have indicated rapid void growth. Analyses for these material configurations are discussed here. When the void radius is very small, a nonlocal plasticity model is needed to account for observed size-effects, and recent analyses...... analyzed for a material containing a periodic distribution of spherical voids with two different void sizes, where the stress fields around larger voids may accelerate the growth of smaller voids. Another approach has been an analysis of a unit cell model in which a central cavity is discretely represented......, while the surrounding voids are represented by a porous ductile material model in terms of a field quantity that specifies the variation of the void volume fraction in the surrounding metal....

  5. Pratique de l'analyse fonctionelle

    CERN Document Server

    Tassinari, Robert

    1997-01-01

    Mettre au point un produit ou un service qui soit parfaitement adapté aux besoins et aux exigences du client est indispensable pour l'entreprise. Pour ne rien laisser au hasard, il s'agit de suivre une méthodologie rigoureuse : celle de l'analyse fonctionnelle. Cet ouvrage définit précisément cette méthode ainsi que ses champs d'application. Il décrit les méthodes les plus performantes en termes de conception de produit et de recherche de qualité et introduit la notion d'analyse fonctionnelle interne. Un ouvrage clé pour optimiser les processus de conception de produit dans son entreprise. -- Idées clés, par Business Digest

  6. The executive personal finance scale: item analyses.

    Science.gov (United States)

    Lester, David; Spinella, Marcello

    2007-12-01

    A scale devised to measure executive personal money management was examined for its factorial structure using 138 college students. On the whole, the factor analysis confirmed the subscale structure of the scale, but the Planning subscale appeared to consist of two distinct components, investment behavior and saving behavior.

  7. Two Fourier analyses on the Cantor set

    NARCIS (Netherlands)

    Gatesoupe, M; Salinger, DL

    1998-01-01

    The classical Cantor set is given the structure of a compact Abelian group in two ways: the Cantor group and the group of dyadic integers. The relations between the trigonometric series with respect to the two structures are studied, specifically for radial functions and for spherical functions. (C)

  8. Graphic-based musculoskeletal model for biomechanical analyses and animation.

    Science.gov (United States)

    Chao, Edmund Y S

    2003-04-01

    The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the 'Virtual Human' reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. This paper details the design, capabilities, and features of the VIMS development at Johns Hopkins University, an effort possible only through academic and commercial collaborations. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of this unique database and simulation technology. This integrated system will impact on medical education, basic research, device development and application, and clinical patient care related to musculoskeletal diseases, trauma, and rehabilitation.

  9. Center for Naval Analyses Annual Report 1982.

    Science.gov (United States)

    1982-01-01

    recipients, alike, was due mainly to temporary rather than permanent layoffs ; they were unemployed for about the same length of time, and their post- layoff ...equal to 70 percent of average weekly wages for 52 weeks in the two years following layoff ) apparently encouraged workers to remain unemployed longer...Institute for Defense Analyses. William A. Nierenberg, Director of the Scripps Institution of Oceanog- raphy. Member, NASA Advisory Council. Member

  10. En Billig GPS Data Analyse Platform

    DEFF Research Database (Denmark)

    Andersen, Ove; Christiansen, Nick; Larsen, Niels T.;

    2011-01-01

    Denne artikel præsenterer en komplet software platform til analyse af GPS data. Platformen er bygget udelukkende vha. open-source komponenter. De enkelte komponenter i platformen beskrives i detaljer. Fordele og ulemper ved at bruge open-source diskuteres herunder hvilke IT politiske tiltage, der...... organisationer med et digitalt vejkort og GPS data begynde at lave trafikanalyser på disse data. Det er et krav, at der er passende IT kompetencer tilstede i organisationen....

  11. A turbulent jet in crossflow analysed with proper orthogonal decomposition

    DEFF Research Database (Denmark)

    Meyer, Knud Erik; Pedersen, Jakob Martin; Özcan, Oktay

    2007-01-01

    Detailed instantaneous velocity fields of a jet in crossflow have been measured with stereoscopic particle image velocimetry (PIV). The jet originated from a fully developed turbulent pipe flow and entered a crossflow with a turbulent boundary layer. The Reynolds number based on crossflow velocity...... and pipe diameter was 2400 and the jet to crossflow velocity ratios were R = 3.3 and R = 1.3. The experimental data have been analysed by proper orthogonal decomposition (POD). For R = 3.3, the results in several different planes indicate that the wake vortices are the dominant dynamic flow structures...... and that they interact strongly with the jet core. The analysis identifies jet shear-layer vortices and finds that these vortical structures are more local and thus less dominant. For R = 1.3, on the other hand, jet shear-layer vortices are the most dominant, while the wake vortices are much less important. For both...

  12. ANALYSING SPACE: ADAPTING AND EXTENDING MULTIMODAL SEMIOTICS

    Directory of Open Access Journals (Sweden)

    Louise J. Ravelli

    2015-07-01

    Full Text Available In the field of multimodal discourse analysis, one of the most exciting sites of application is that of 3D space: examining aspects of built environment for its meaningmaking potential. For the built environment – homes, offices, public buildings, parks, etc. – does indeed make meaning. These are spaces which speak – often their meanings are so familiar, we no longer hear what they say; sometimes, new and unusual sites draw attention to their meanings, and they are hotly contested. This chapter will suggest ways of analyzing 3D texts, based on the framework of Kress and van Leeuwen (2006. This framework, developed primarily for the analysis of 2D images, has been successfully extended to a range of other multimodal texts. Extension to the built environment includes Pang (2004, O’Toole (1994, Ravelli (2006, Safeyton (2004, Stenglin (2004 and White (1994, whose studies will inform the analyses presented here. This article will identify some of the key theoretical principles which underline this approach, including the notions of text, context and metafunction, and will describe some of the main areas of analysis for 3D texts. Also, ways of bringing the analyses together will be considered. The analyses will be demonstrated in relation to the Scientia building at the University of New South Wales, Australia.

  13. Compilation and network analyses of cambrian food webs.

    Directory of Open Access Journals (Sweden)

    Jennifer A Dunne

    2008-04-01

    Full Text Available A rich body of empirically grounded theory has developed about food webs--the networks of feeding relationships among species within habitats. However, detailed food-web data and analyses are lacking for ancient ecosystems, largely because of the low resolution of taxa coupled with uncertain and incomplete information about feeding interactions. These impediments appear insurmountable for most fossil assemblages; however, a few assemblages with excellent soft-body preservation across trophic levels are candidates for food-web data compilation and topological analysis. Here we present plausible, detailed food webs for the Chengjiang and Burgess Shale assemblages from the Cambrian Period. Analyses of degree distributions and other structural network properties, including sensitivity analyses of the effects of uncertainty associated with Cambrian diet designations, suggest that these early Paleozoic communities share remarkably similar topology with modern food webs. Observed regularities reflect a systematic dependence of structure on the numbers of taxa and links in a web. Most aspects of Cambrian food-web structure are well-characterized by a simple "niche model," which was developed for modern food webs and takes into account this scale dependence. However, a few aspects of topology differ between the ancient and recent webs: longer path lengths between species and more species in feeding loops in the earlier Chengjiang web, and higher variability in the number of links per species for both Cambrian webs. Our results are relatively insensitive to the exclusion of low-certainty or random links. The many similarities between Cambrian and recent food webs point toward surprisingly strong and enduring constraints on the organization of complex feeding interactions among metazoan species. The few differences could reflect a transition to more strongly integrated and constrained trophic organization within ecosystems following the rapid

  14. Compilation and network analyses of cambrian food webs.

    Science.gov (United States)

    Dunne, Jennifer A; Williams, Richard J; Martinez, Neo D; Wood, Rachel A; Erwin, Douglas H

    2008-04-29

    A rich body of empirically grounded theory has developed about food webs--the networks of feeding relationships among species within habitats. However, detailed food-web data and analyses are lacking for ancient ecosystems, largely because of the low resolution of taxa coupled with uncertain and incomplete information about feeding interactions. These impediments appear insurmountable for most fossil assemblages; however, a few assemblages with excellent soft-body preservation across trophic levels are candidates for food-web data compilation and topological analysis. Here we present plausible, detailed food webs for the Chengjiang and Burgess Shale assemblages from the Cambrian Period. Analyses of degree distributions and other structural network properties, including sensitivity analyses of the effects of uncertainty associated with Cambrian diet designations, suggest that these early Paleozoic communities share remarkably similar topology with modern food webs. Observed regularities reflect a systematic dependence of structure on the numbers of taxa and links in a web. Most aspects of Cambrian food-web structure are well-characterized by a simple "niche model," which was developed for modern food webs and takes into account this scale dependence. However, a few aspects of topology differ between the ancient and recent webs: longer path lengths between species and more species in feeding loops in the earlier Chengjiang web, and higher variability in the number of links per species for both Cambrian webs. Our results are relatively insensitive to the exclusion of low-certainty or random links. The many similarities between Cambrian and recent food webs point toward surprisingly strong and enduring constraints on the organization of complex feeding interactions among metazoan species. The few differences could reflect a transition to more strongly integrated and constrained trophic organization within ecosystems following the rapid diversification of species, body

  15. The Study of Optimizing the Structure of Foreign Direct Investment --analyses of FDI statistical data based on VAR model%优化外商直接投资结构的研究——基于行业FDI数据的VAR模型

    Institute of Scientific and Technical Information of China (English)

    刘梦琴; 王付顺

    2011-01-01

    The paper analyses the relations among GDP and the foreign direct investment in manufacturing industry (FM), service industry (FS), real estate (FRE) and education (FE) from related statistical data from 1990 to 2010 based on VAR model, conclusions are as follows : in the long run, the increases of FM and FS lead to the rise of GDP, and the FRE and FE change in the opposite direction with GDP. In the short term, accounting from the influence to national economic development from high to low ranking, it is FS, FM, FE and FRE. We suggest that the decision - maker should make decision based on long - term goal guided by the Catalogue of Industries for Guiding Foreign Investment, when utilizing and optimizing the structure of foreign direct investment. So the role of FDI to drive economic growth should be given full attention to, and at the same time, reducing the negative influence.%根据1990—2010年全国国内生产总值(GDP)、FDI在制造业的投资额(FM)、FDI在服务业的投资额(FS)、FDI在房地产业的投资额(FRE)及在教育领域的投资额(FE)的统计数据进行基于VAR模型的实证分析,认为长期看,外商在制造业的投资额(FM)和在服务业的投资额(FS)的增加导致全国GDP的增加,外商在房地产业的投资额(FRE)以及在教育领域的投资额(FE)与GDP反向变动;短期看,对全国经济发展的短期影响程度由高到低,依次是FDI在服务业的投资额(FS)、在制造业的投资额(FM)和在教育领域的投资额(FE)以及在房地产业的投资额(FRE)。建议以国务院颁布的《外商投资产业指导目录》为导向,积极利用外资及优化外商投资结构,在发挥外资对我国经济的积极推动作用的同时尽量减少外资的负面影响。

  16. ALTERNATIVE METHODS FOR CONDUCTING COMPARATIVE ANALYSES OF CADASTRAL SYSTEMS

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The conception of an efficient cadastral system is an important element in the development of each coun-try. It is crucial for the efficient operation of the real estate market-the security and liberty of making transactions, register-ing a property, planning operations, the introduction of an ad valorem tax on property and more rational use of space. InEurope there are different types of cadastral systems, because the countries in Europe have different cultural back-grounds, different economical and social backgrounds. Through the centuries, many types of cadastral systems evolvedand their differences often depend upon local cultural heritage, physical geography, land use, technology, etc. Compara-tive analyses of cadastral systems have been the subjects of many publications and studies in world literature. It was as-sessed that the useful tools in conducting comparative analyses of various cadastral systems include the procedures of statisti-cal inference. This paper presents the results of a project to compare the performance of ten cadastral systems international-ly by creating appropriate integrated indicators of a cadastral system using statistical technique. Such indicators willmake it possible to compare different cadastral systems and present them hierarchically in relation to their quality, struc-ture, as well as legal, organizational and technological solutions. From a good number of methods available, techniquesoriginating from two spheres of statistic inference were selected: distribution free methods and multivariate analysis meth-ods. For analyses with the distribution free methods, FRIEDMAN's test (FRIENDMAN's non-parametric variance analy-sis) as well as KENDALL's test (KENDALL's compatibility ratio) were selected. For analyses with the multivariate analy-sis methods, factor analysis was selected.

  17. Analysing Theoretical Frameworks of Moral Education through Lakatos's Philosophy of Science

    Science.gov (United States)

    Han, Hyemin

    2014-01-01

    The structure of studies of moral education is basically interdisciplinary; it includes moral philosophy, psychology, and educational research. This article systematically analyses the structure of studies of moral educational from the vantage points of philosophy of science. Among the various theoretical frameworks in the field of philosophy of…

  18. Analysing bone regeneration using topological optimisation

    Directory of Open Access Journals (Sweden)

    Diego Alexander Garzón Alvarado

    2010-04-01

    Full Text Available The present article's object is to present the mathematical foundations of topological optimisation aimed at carrying out a study of bone regeneration. Bone structure can be economically adopted to different mechanical demands responding to topological optimisation models (having "minimum" mass and "high" resistance. Such analysis is essential for formulating physical therapy in patients needing partial or total strengthening of a particular bone's tissue structure. A mathematical model is formulated, as are the methods for resolving it.

  19. Statistical analyses in disease surveillance systems.

    Science.gov (United States)

    Lescano, Andres G; Larasati, Ria Purwita; Sedyaningsih, Endang R; Bounlu, Khanthong; Araujo-Castillo, Roger V; Munayco-Escate, Cesar V; Soto, Giselle; Mundaca, C Cecilia; Blazes, David L

    2008-11-14

    The performance of disease surveillance systems is evaluated and monitored using a diverse set of statistical analyses throughout each stage of surveillance implementation. An overview of their main elements is presented, with a specific emphasis on syndromic surveillance directed to outbreak detection in resource-limited settings. Statistical analyses are proposed for three implementation stages: planning, early implementation, and consolidation. Data sources and collection procedures are described for each analysis.During the planning and pilot stages, we propose to estimate the average data collection, data entry and data distribution time. This information can be collected by surveillance systems themselves or through specially designed surveys. During the initial implementation stage, epidemiologists should study the completeness and timeliness of the reporting, and describe thoroughly the population surveyed and the epidemiology of the health events recorded. Additional data collection processes or external data streams are often necessary to assess reporting completeness and other indicators. Once data collection processes are operating in a timely and stable manner, analyses of surveillance data should expand to establish baseline rates and detect aberrations. External investigations can be used to evaluate whether abnormally increased case frequency corresponds to a true outbreak, and thereby establish the sensitivity and specificity of aberration detection algorithms.Statistical methods for disease surveillance have focused mainly on the performance of outbreak detection algorithms without sufficient attention to the data quality and representativeness, two factors that are especially important in developing countries. It is important to assess data quality at each state of implementation using a diverse mix of data sources and analytical methods. Careful, close monitoring of selected indicators is needed to evaluate whether systems are reaching their

  20. Stable isotopic analyses in paleoclimatic reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Wigand, P.E. [Univ. and Community College System of Nevada, Reno, NV (United States)

    1995-09-01

    Most traditional paleoclimatic proxy data have inherent time lags between climatic input and system response that constrain their use in accurate reconstruction of paleoclimate chronology, scaling of its variability, and the elucidation of the processes that determine its impact on the biotic and abiotic environment. With the exception of dendroclimatology, and studies of short-lived organisms and pollen recovered from annually varved lacustrine sediments, significant periods of time ranging from years, to centuries, to millennia may intervene between climate change and its first manifestation in paleoclimatic proxy data records. Reconstruction of past climate through changes in plant community composition derived from pollen sequences and plant remains from ancient woodrat middens, wet environments and dry caves all suffer from these lags. However, stable isotopic analyses can provide more immediate indication of biotic response to climate change. Evidence of past physiological response of organisms to changes in effective precipitation as climate varies can be provided by analyses of the stable isotopic content of plant macrofossils from various contexts. These analyses consider variation in the stable isotopic (hydrogen, oxygen and carbon) content of plant tissues as it reflects (1) past global or local temperature through changes in meteoric (rainfall) water chemistry in the case of the first two isotopes, and (2) plant stress through changes in plant respiration/transpiration processes under differing water availability, and varying atmospheric CO, composition (which itself may actually be a net result of biotic response to climate change). Studies currently being conducted in the Intermountain West indicate both long- and short-term responses that when calibrated with modem analogue studies have the potential of revealing not only the timing of climate events, but their direction, magnitude and rapidity.

  1. Externalizing Behaviour for Analysing System Models

    DEFF Research Database (Denmark)

    Ivanova, Marieta Georgieva; Probst, Christian W.; Hansen, René Rydhof

    2013-01-01

    attackers. Therefore, many attacks are considerably easier to be performed for insiders than for outsiders. However, current models do not support explicit specification of different behaviours. Instead, behaviour is deeply embedded in the analyses supported by the models, meaning that it is a complex......System models have recently been introduced to model organisations and evaluate their vulnerability to threats and especially insider threats. Especially for the latter these models are very suitable, since insiders can be assumed to have more knowledge about the attacked organisation than outside...

  2. Visuelle Analyse von Eye-Tracking-Daten

    OpenAIRE

    2011-01-01

    Eye-Tracking ist eine der am häufigsten eingesetzten Techniken zur Analyse der Mensch-Computer-Interaktion sowie zur Untersuchung der Perzeption. Die erfassten Eye-Tracking-Daten werden meist mit Heat-Maps oder Scan-Paths analysiert, um die Usability der getesteten Anwendung zu ermitteln oder auf höhere kognitive Prozesse zu schließen. Das Ziel dieser Diplomarbeit ist die Entwicklung neuer Visualisierungstechniken für Eye-Tracking-Daten beziehungsweise die Entwicklung eines Studienkonzepts...

  3. Environmental monitoring final report: groundwater chemical analyses

    Energy Technology Data Exchange (ETDEWEB)

    1984-02-01

    This report presents the results of analyses of groundwater qualtiy at the SRC-I Demonstration Plant site in Newman, Kentucky. Samples were obtained from a network of 23 groundwater observation wells installed during previous studies. The groundwater was well within US EPA Interim Primary Drinking Water Standards for trace metals, radioactivity, and pesticides, but exceeded the standard for coliform bacteria. Several US EPA Secondary Drinking Water Standards were exceeded, namely, manganese, color, iron, and total dissolved solids. Based on the results, Dames and Moore recommend that all wells should be sterilized and those wells built in 1980 should be redeveloped. 1 figure, 6 tables.

  4. Introduction: Analysing Emotion and Theorising Affect

    Directory of Open Access Journals (Sweden)

    Peta Tait

    2016-08-01

    Full Text Available This discussion introduces ideas of emotion and affect for a volume of articles demonstrating the scope of approaches used in their study within the humanities and creative arts. The volume offers multiple perspectives on emotion and affect within 20th-century and 21st-century texts, arts and organisations and their histories. The discussion explains how emotion encompasses the emotions, emotional feeling, sensation and mood and how these can be analysed particularly in relation to literature, art and performance. It briefly summarises concepts of affect theory within recent approaches before introducing the articles.

  5. Transportation systems analyses: Volume 1: Executive Summary

    Science.gov (United States)

    1993-05-01

    The principal objective of this study is to accomplish a systems engineering assessment of the nation's space transportation infrastructure. This analysis addresses the necessary elements to perform man delivery and return, cargo transfer, cargo delivery, payload servicing, and the exploration of the Moon and Mars. Specific elements analyzed, but not limited to, include the Space Exploration Initiative (SEI), the National Launch System (NLS), the current expendable launch vehicle (ELV) fleet, ground facilities, the Space Station Freedom (SSF), and other civil, military and commercial payloads. The performance of this study entails maintaining a broad perspective on the large number of transportation elements that could potentially comprise the U.S. space infrastructure over the next several decades. To perform this systems evaluation, top-level trade studies are conducted to enhance our understanding of the relationships between elements of the infrastructure. This broad 'infrastructure-level perspective' permits the identification of preferred infrastructures. Sensitivity analyses are performed to assure the credibility and usefulness of study results. This executive summary of the transportation systems analyses (TSM) semi-annual report addresses the SSF logistics resupply. Our analysis parallels the ongoing NASA SSF redesign effort. Therefore, there could be no SSF design to drive our logistics analysis. Consequently, the analysis attempted to bound the reasonable SSF design possibilities (and the subsequent transportation implications). No other strategy really exists until after a final decision is rendered on the SSF configuration.

  6. ANALYSES ON SYSTEMATIC CONFRONTATION OF FIGHTER AIRCRAFT

    Institute of Scientific and Technical Information of China (English)

    HuaiJinpeng; WuZhe; HuangJun

    2002-01-01

    Analyses of the systematic confrontation between two military forcfes are the highest hierarchy on opera-tional effectiveness study of weapon systema.The physi-cal model for tactical many-on-many engagements of an aerial warfare with heterogeneous figher aircraft is estab-lished.On the basis of Lanchester multivariate equations of square law,a mathematical model corresponding to the established physical model is given.A superiorityh parame-ter is then derived directly from the mathematical model.With view to the high -tech condition of modern war-fare,the concept of superiority parameter which more well and truly reflects the essential of an air-to-air en-gagement is further formulated.The attrition coeffi-cients,which are key to the differential equations,are de-termined by using tactics of random target assignment and air-to-air capability index of the fighter aircraft.Hereby,taking the mathematical model and superiority parameter as cores,calculations amd analyses of complicate systemic problems such as evaluation of battle superiority,prog-mostication of combat process and optimization of colloca-tions have been accomplished.Results indicate that a clas-sical combat theory with its certain recent development has received newer applications in the military operation research for complicated confrontation analysis issues.

  7. Autisme et douleur – analyse bibliographique

    Science.gov (United States)

    Dubois, Amandine; Rattaz, Cécile; Pry, René; Baghdadli, Amaria

    2010-01-01

    La présente analyse bibliographique a pour objectif de réaliser un bilan des travaux publiés dans le champ de la douleur et de l’autisme. L’article aborde, dans un premier temps, les études publiées concernant les modes d’expression de la douleur observés dans cette population. Différentes hypothèses permettant d’expliquer les particularités expressives des personnes avec autisme sont ensuite passées en revue : excès d’endorphines, particularités dans le traitement sensoriel, déficit sociocommunicatif. Cette analyse bibliographique aborde, pour terminer, la question de l’évaluation et de la prise en compte de la douleur chez les personnes avec autisme. Les auteurs concluent à l’absence d’homogénéité des résultats des études publiées et au besoin de poursuivre les recherches afin de parvenir à des données consensuelles sur un domaine d’étude encore peu exploité au plan scientifique. Sur un plan clinique, l’approfondissement des connaissances dans ce domaine devrait permettre de mettre au point des outils d’évaluation de la douleur et d’ainsi en assurer une meilleure prise en charge au quotidien. PMID:20808970

  8. Bioinformatics tools for analysing viral genomic data.

    Science.gov (United States)

    Orton, R J; Gu, Q; Hughes, J; Maabar, M; Modha, S; Vattipally, S B; Wilkie, G S; Davison, A J

    2016-04-01

    The field of viral genomics and bioinformatics is experiencing a strong resurgence due to high-throughput sequencing (HTS) technology, which enables the rapid and cost-effective sequencing and subsequent assembly of large numbers of viral genomes. In addition, the unprecedented power of HTS technologies has enabled the analysis of intra-host viral diversity and quasispecies dynamics in relation to important biological questions on viral transmission, vaccine resistance and host jumping. HTS also enables the rapid identification of both known and potentially new viruses from field and clinical samples, thus adding new tools to the fields of viral discovery and metagenomics. Bioinformatics has been central to the rise of HTS applications because new algorithms and software tools are continually needed to process and analyse the large, complex datasets generated in this rapidly evolving area. In this paper, the authors give a brief overview of the main bioinformatics tools available for viral genomic research, with a particular emphasis on HTS technologies and their main applications. They summarise the major steps in various HTS analyses, starting with quality control of raw reads and encompassing activities ranging from consensus and de novo genome assembly to variant calling and metagenomics, as well as RNA sequencing.

  9. Sensitivity in risk analyses with uncertain numbers.

    Energy Technology Data Exchange (ETDEWEB)

    Tucker, W. Troy; Ferson, Scott

    2006-06-01

    Sensitivity analysis is a study of how changes in the inputs to a model influence the results of the model. Many techniques have recently been proposed for use when the model is probabilistic. This report considers the related problem of sensitivity analysis when the model includes uncertain numbers that can involve both aleatory and epistemic uncertainty and the method of calculation is Dempster-Shafer evidence theory or probability bounds analysis. Some traditional methods for sensitivity analysis generalize directly for use with uncertain numbers, but, in some respects, sensitivity analysis for these analyses differs from traditional deterministic or probabilistic sensitivity analyses. A case study of a dike reliability assessment illustrates several methods of sensitivity analysis, including traditional probabilistic assessment, local derivatives, and a ''pinching'' strategy that hypothetically reduces the epistemic uncertainty or aleatory uncertainty, or both, in an input variable to estimate the reduction of uncertainty in the outputs. The prospects for applying the methods to black box models are also considered.

  10. Hitchhikers’ guide to analysing bird ringing data

    Directory of Open Access Journals (Sweden)

    Harnos Andrea

    2015-12-01

    Full Text Available Bird ringing datasets constitute possibly the largest source of temporal and spatial information on vertebrate taxa available on the globe. Initially, the method was invented to understand avian migration patterns. However, data deriving from bird ringing has been used in an array of other disciplines including population monitoring, changes in demography, conservation management and to study the effects of climate change to name a few. Despite the widespread usage and importance, there are no guidelines available specifically describing the practice of data management, preparation and analyses of ringing datasets. Here, we present the first of a series of comprehensive tutorials that may help fill this gap. We describe in detail and through a real-life example the intricacies of data cleaning and how to create a data table ready for analyses from raw ringing data in the R software environment. Moreover, we created and present here the R package; ringR, designed to carry out various specific tasks and plots related to bird ringing data. Most methods described here can also be applied to a wide range of capture-recapture type data based on individual marking, regardless to taxa or research question.

  11. CHEMICAL ANALYSES OF SODIUM SYSTEMS FINAL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Greenhalgh, W. O.; Yunker, W. H.; Scott, F. A.

    1970-06-01

    BNWL-1407 summarizes information gained from the Chemical Analyses of Sodium Systems Program pursued by Battelle- Northwest over the period from July 1967 through June 1969. Tasks included feasibility studies for performing coulometric titration and polarographic determinations of oxygen in sodium, and the development of new separation techniques for sodium impurities and their subsequent analyses. The program was terminated ahead of schedule so firm conclusions were not obtained in all areas of the work. At least 40 coulometric titrations were carried out and special test cells were developed for coulometric application. Data indicated that polarographic measurements are theoretically feasible, but practical application of the method was not verified. An emission spectrographic procedure for trace metal impurities was developed and published. Trace metal analysis by a neutron activation technique was shown to be feasible; key to the success of the activation technique was the application of a new ion exchange resin which provided a sodium separation factor of 10{sup 11}. Preliminary studies on direct scavenging of trace metals produced no conclusive results.

  12. Les conditions de l’analyse qualitative

    Directory of Open Access Journals (Sweden)

    Pierre Paillé

    2011-07-01

    Full Text Available Les méthodes d’analyse des données qualitatives et le monde informatique étaient faits pour se rencontrer. Et en effet, la question est d’actualité et les outils informatiques nombreux et avancés. Ce phénomène ne saurait s’estomper, d’autant moins que l’analyse des données secondaires connaît en même temps des développements importants. Mais l’attrait pour les logiciels d’analyse peut devenir tel qu’on ne verrait plus trop à quel titre et pour quelles raisons on pourrait s’en passer. L’article tente de cerner une vision et une pratique de l’analyse qualitative qui, dans son essence, ne se prête pas à l’utilisation d’outils informatiques spécialisés. Il situe sa réflexion dans le cadre de la méthodologie qualitative (démarche qualitative, recherche qualitative, analyse qualitative, plus particulièrement au niveau de l’enquête qualitative de terrain.The conditions of qualitative analysisThe methods for analyzing qualitative data and the computer world were meant to meet. And, by that, the question is valid and computer tools numerous and advanced. This phenomenon will not slowdown, especially not since secondary data analysis experiences significant developments. But the attraction for analysis software could develop so that we would not see too much why and for what type of reasons we could part from them. This article attempts to define a vision and a practice of qualitative analysis that, in essence, does not use specialized computer tools. It situates its reflection within qualitative methodology (qualitative approaches, qualitative research, qualitative analysis and moreover in the level of qualitative fieldwork investigation.Las condiciones del análisis cualitativo. Reflexiones sobre la utilización de programas informáticosLos métodos de análisis de los datos cualitativos y el mundo de la informática han nacido para entenderse mutualmente. En efecto, la cuestión es actual y los

  13. Predictive Modeling of Complex Contoured Composite Structures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The existing HDWLT (pictured) contoured composite structure design, its analyses and manufacturing tools, will be used to validate key analyses inputs through...

  14. Détermination structurale de la forme de haute température du composé La 4[Ge 3O 10][GeO 4]: Analyse comparative des structures tricliniques des germanates de terres rares de formule globale Ln2Ge 2O 7

    Science.gov (United States)

    Vetter, Geneviève; Queyroux, Francine

    1988-04-01

    The rare-earth germanates Ln2Ge 2O 7 have been structurally determined as three triclinic structural forms ( Ln = LaGd) and one tetragonal ( Ln = GdLu). The structural determination of the high temperature form La 2Ge 2O 7, which is presented here, gives rise to a fourth triclinic structural type. The complete description of the Ln2Ge 2O 7 phases, stable a ordinary pressure, is thus achieved. Refinement was carried out by the heavy atom method on a model which could be elaborated after the comparative study of the three triclinic forms. Space group: P1, a = 7.080(2), b = 7.101(3), c = 6.928(2) Å, α = 87.74(2), β = 91.25(2), γ = 115.81(2)°, Z = 2, R = 0.065, Rw = 0.083 for 4018 reflections. A global structural analysis of all the four triclinic phases is proposed.

  15. Pathway analyses implicate glial cells in schizophrenia.

    Directory of Open Access Journals (Sweden)

    Laramie E Duncan

    Full Text Available BACKGROUND: The quest to understand the neurobiology of schizophrenia and bipolar disorder is ongoing with multiple lines of evidence indicating abnormalities of glia, mitochondria, and glutamate in both disorders. Despite high heritability estimates of 81% for schizophrenia and 75% for bipolar disorder, compelling links between findings from neurobiological studies, and findings from large-scale genetic analyses, are only beginning to emerge. METHOD: Ten publically available gene sets (pathways related to glia, mitochondria, and glutamate were tested for association to schizophrenia and bipolar disorder using MAGENTA as the primary analysis method. To determine the robustness of associations, secondary analyses were performed with: ALIGATOR, INRICH, and Set Screen. Data from the Psychiatric Genomics Consortium (PGC were used for all analyses. There were 1,068,286 SNP-level p-values for schizophrenia (9,394 cases/12,462 controls, and 2,088,878 SNP-level p-values for bipolar disorder (7,481 cases/9,250 controls. RESULTS: The Glia-Oligodendrocyte pathway was associated with schizophrenia, after correction for multiple tests, according to primary analysis (MAGENTA p = 0.0005, 75% requirement for individual gene significance and also achieved nominal levels of significance with INRICH (p = 0.0057 and ALIGATOR (p = 0.022. For bipolar disorder, Set Screen yielded nominally and method-wide significant associations to all three glial pathways, with strongest association to the Glia-Astrocyte pathway (p = 0.002. CONCLUSIONS: Consistent with findings of white matter abnormalities in schizophrenia by other methods of study, the Glia-Oligodendrocyte pathway was associated with schizophrenia in our genomic study. These findings suggest that the abnormalities of myelination observed in schizophrenia are at least in part due to inherited factors, contrasted with the alternative of purely environmental causes (e.g. medication effects or

  16. Use of EBSD data in mesoscale numerical analyses

    Energy Technology Data Exchange (ETDEWEB)

    Becker, R; Wiland, H

    2000-03-30

    EBSD and FEM studies will provide impetus for further development of microstructure models and theories of microstructure evolution. Early studies connecting EBSD data to detailed finite element models used manual measurements to define initial orientations for the simulations. In one study, manual measurements of the deformed structure were also obtained for comparison with the model predictions. More recent work has taken advantage of automated data collection on deformed specimens as a means of collecting detailed and spatially correlated data for FEM model validation. Although it will not be discussed here, EBSD data can also be incorporated in FEM analyses in a less direct manner that is suitable for simulations where the element size is much larger than the grain size. The purpose of such models is to account for the effects of evolving material anisotropy in macro-scale simulations. In these analyses, a polycrystal plasticity model (e.g., a Taylor model or a self-consistent model), or a yield surface constructed from a polycrystal plasticity model, is used to determine the constitutive response of each element. The initial orientations used in the polycrystal plasticity model can be obtained from EBSD analyses or by fitting distributions of discrete orientations to x-ray data. The use of EBSD data is advantageous in that it is easier to account for spatial gradients of orientation distribution within a part. Another area in which EBSD data is having a great impact is on recrystallization modeling. EBSD techniques can be used to collect data for quantitative microstructural analysis (Humphreys, 1998). This data can be used to infer growth kinetics of specific orientations, and this information can be synthesized into more accurate grain growth or recrystallization models (Vogel et al., 1996). A second role which EBSD techniques may play in recrystallization modeling is in determining initial structures for the models. A realistic starting structure is vital for

  17. Sea Floor Analyses Based On Multibeam Backscatter Strength

    Science.gov (United States)

    Beyer, A.

    Measurements of acoustic backscatter strength can be applied to analyse sea floor coverage on a spatial extent. They provide consistent coverage compared to analy- ses based on only a few surface sam