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Sample records for anti-bixbyite-type structure analysed

  1. Compounds with a ‘stuffed’ anti-bixbyite-type structure, analysed in terms of the Zintl–Klemm and coordination-defect concepts

    International Nuclear Information System (INIS)

    Compounds with a ‘stuffed anti-bixbyite’ structure, such as Li3AlN2, were analysed in terms of both the extended Zintl–Klemm concept and the coordination-defect concept. For the first time, inorganic crystal structures are seen as a set of ‘multiple resonance structures’ (Klemm pseudo-structures) which co-exist as the result of unexpected electron transfers between any species pair comprising either like or unlike atoms, cations or anions. If this is the driving force controlling crystal structures, the conventional oxidation states assigned to cations and anions lose some of their usefulness. The bixbyite structure (Mn2O3) is often described as a distorted face-centered cubic (f.c.c.) array of Mn atoms, with O atoms occupying 3/4 of the tetrahedral holes. The empty M4 tetrahedra are centred at 16c. In anti-bixbyite structures (Mg3N2), cation vacancies are centred in empty N4 tetrahedra. If 16 hypothetical atoms were located at this site they would form the structure of γ-Si. This means that anti-bixbyite structures are ideally prepared to accommodate Si(Ge) atoms at these holes. Several compounds (Li3AlN2 and Li3ScN2) fully satisfy this expectation. They are really anti-bixbyites ‘stuffed’ with Al(Sc). The presence of these atoms in 16c is illuminated in the light of the extended Zintl–Klemm concept (EZKC) [Vegas & García-Baonza (2007 ▶). Acta Cryst. B63, 339–345], from which a compound would be the result of ‘multiple resonance’ pseudo-structures, emerging from electron transfers between any species pair (like or unlike atoms, cations or anions). The coordination-defect (CD) concept [Bevan & Martin (2008) ▶. J. Solid State Chem.181, 2250–2259] is also consistent with the EZKC description of the pseudo-structures. A more profound insight into crystal structures is gained if one is not restricted to the contemplation of classical anions and cations in their conventional oxidation states

  2. Robustness Analyses of Timber Structures

    DEFF Research Database (Denmark)

    Kirkegaard, Poul Henning; Sørensen, John Dalsgaard; Hald, Frederik

    2013-01-01

    The robustness of structural systems has obtained a renewed interest arising from a much more frequent use of advanced types of structures with limited redundancy and serious consequences in case of failure. In order to minimise the likelihood of such disproportionate structural failures, many...... modern building codes consider the need for the robustness of structures and provide strategies and methods to obtain robustness. Therefore, a structural engineer may take necessary steps to design robust structures that are insensitive to accidental circumstances. The present paper summaries issues with...... respect to robustness of timber structures and will discuss the consequences of such robustness issues related to the future development of timber structures....

  3. Spin Structure Analyses of Antiferromagnets

    International Nuclear Information System (INIS)

    We have synthesized series of powder sample of incommensurate antiferromagnetic multiferroics, (Mn, Co)WO4 and Al doped Ba0.5Sr1.5Zn2Fe12O22, incommensurate antiferromagnetic multiferroics. Their spin structure was studied by using the HRPD. In addition, we have synthesized series of crystalline samples of incommensurate multiferroics, (Mn, Co)WO4 and olivines. Their spin structure was investigated using neutron diffraction under high magnetic field. As a result, we were able to draw the phase diagram of (Mn, Co)WO4 as a function of composition and temperature. We learned the how the spin structure changes with increased ionic substitution. Finally we have drawn the phase diagram of the multicritical olivine Mn2SiS4/Mn2GeS4 as a function of filed and temperature through the spin structure studies

  4. Reporting Analyses of Covariance Structures

    NARCIS (Netherlands)

    Boomsma, A.

    2000-01-01

    This contribution is focused on how to write a research paper when structural equation models are being used in empirical work. The main question to be answered is what information should be reported and what results can be deleted without much loss of judgment about the quality of research and the

  5. Fully Coupled FE Analyses of Buried Structures

    Directory of Open Access Journals (Sweden)

    James T. Baylot

    1994-01-01

    Full Text Available Current procedures for determining the response of buried structures to the effects of the detonation of buried high explosives recommend decoupling the free-field stress analysis from the structure response analysis. A fully coupled (explosive–soil structure finite element analysis procedure was developed so that the accuracies of current decoupling procedures could be evaluated. Comparisons of the results of analyses performed using this procedure with scale-model experiments indicate that this finite element procedure can be used to effectively evaluate the accuracies of the methods currently being used to decouple the free-field stress analysis from the structure response analysis.

  6. Analyses of containment structures with corrosion damage

    International Nuclear Information System (INIS)

    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

  7. DEPUTY: analysing architectural structures and checking style

    International Nuclear Information System (INIS)

    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 architectural 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. The authors will discuss the various views DepUty provides to analyse package dependencies, and illustrate both the metrics and style checking facilities it provides

  8. 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.

  9. Analyses of containment structures with corrosion damage

    International Nuclear Information System (INIS)

    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 boundclose quotes, open-quotes best estimateclose quotes, and open-quotes upper boundclose 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

  10. Activation analyses for different fusion structural alloys

    International Nuclear Information System (INIS)

    The leading candidate structural materials, viz., the vanadium alloys, the nickel or the manganese stabilized austenitic steels, and the ferritic steels, are analysed in terms of their induced activation in the TPSS fusion power reactor. The TPSS reactor has 1950 MW fusion power and inboard and outboard average neutron wall loading of 3.75 and 5.35 MW/m2 respectively. The results shows that, after one year of continuous operation, the vanadium alloys have the least radioactivity at reactor shutdown. The maximum difference between the induced radioactivity in the vanadium alloys and in the other iron-based alloys occurs at about 10 years after reactor shutdown. At this time, the total reactor radioactivity, using the vanadium alloys, is about two orders of magnitude less than the total reactor radioactivity utilizing any other alloy. The difference is even larger in the first wall, the FW-vanadium activation is 3 orders of magnitude less than other alloys' FW activation. 2 refs., 7 figs

  11. Residual Strength Analyses of Monolithic Structures

    Science.gov (United States)

    Forth, Scott (Technical Monitor); Ambur, Damodar R. (Technical Monitor); Seshadri, B. R.; Tiwari, S. N.

    2003-01-01

    Finite-element fracture simulation methodology predicts the residual strength of damaged aircraft structures. The methodology uses the critical crack-tip-opening-angle (CTOA) fracture criterion to characterize the fracture behavior of the material. The CTOA fracture criterion assumes that stable crack growth occurs when the crack-tip angle reaches a constant critical value. The use of the CTOA criterion requires an elastic- plastic, finite-element analysis. The critical CTOA value is determined by simulating fracture behavior in laboratory specimens, such as a compact specimen, to obtain the angle that best fits the observed test behavior. The critical CTOA value appears to be independent of loading, crack length, and in-plane dimensions. However, it is a function of material thickness and local crack-front constraint. Modeling the local constraint requires either a three-dimensional analysis or a two-dimensional analysis with an approximation to account for the constraint effects. In recent times as the aircraft industry is leaning towards monolithic structures with the intention of reducing part count and manufacturing cost, there has been a consistent effort at NASA Langley to extend critical CTOA based numerical methodology in the analysis of integrally-stiffened panels.In this regard, a series of fracture tests were conducted on both flat and curved aluminum alloy integrally-stiffened panels. These flat panels were subjected to uniaxial tension and during the test, applied load-crack extension, out-of-plane displacements and local deformations around the crack tip region were measured. Compact and middle-crack tension specimens were tested to determine the critical angle (wc) using three-dimensional code (ZIP3D) and the plane-strain core height (hJ using two-dimensional code (STAGS). These values were then used in the STAGS analysis to predict the fracture behavior of the integrally-stiffened panels. The analyses modeled stable tearing, buckling, and crack

  12. Seismic analyses of structures. 1st draft

    International Nuclear Information System (INIS)

    The dynamic analysis presented in this paper refers to the seismic analysis of the main building of Paks NPP. The aim of the analysis was to determine the floor response spectra as response to seismic input. This analysis was performed by the 3-dimensional calculation model and the floor response spectra were determined for a number levels from the floor response time histories and no other adjustments were applied. The following results of seismic analysis are presented: 3-dimensional finite element model; basic assumptions of dynamic analyses; table of frequencies and included factors; modal masses for all modes; floor response spectra in all the selected nodes with figures of indicated nodes and important nodes of free vibration

  13. Analysing Deep Structure in Games and Simulations.

    Science.gov (United States)

    Gredler, Margaret Bell

    1990-01-01

    Discussion of the design of games and simulations focuses on the fundamental defining features called deep structure. The two main levels of interaction in games and simulations are described; generalized reinforcers are discussed; types of defective contingencies are explained, including escape or avoidance behaviors; and the concept of negative…

  14. Cyclic Structural Analyses of SSME Turbine Blades

    Science.gov (United States)

    Kaufman, A.; Manderscheid, J. M.

    1985-01-01

    The problems of calculating the structural response of high-temperature space propulsion components such as turbine blades for the fuel turbopump are addressed. The first high-pressure-stage fuel turbine blade (HPFTB) in the liquid-hydrogen turbopump of the space shuttle main engine (SSME) was selected for this study. In the past these blades have cracked in the blade shank region and at the airfoil leading edge adjacent to the platform. To achieve the necessary durability, these blades are currently being cast by using directional solidification. Single-crystal alloys are also being investigated for future SSME applications. The study evaluated the utility of advanced structural analysis methods in assessing the low-cycle fatigue lives of these anisotropic components. The turbine blade airfoil of the high-pressure stage of the SSME fuel turbopump was analyzed because it has a history of rapid crack initiation.

  15. Complex Analyses of Plankton Structure and Function

    Directory of Open Access Journals (Sweden)

    Karl E. Havens

    2001-01-01

    Full Text Available This paper critically evaluates some complex methods that have been used to characterize the structure and function of freshwater plankton communities. The focus is on methods related to plankton size structure and carbon transfer. The specific methods reviewed are 1 size spectrum analysis, 2 size-fractionated phytoplankton productivity, 3 size-fractionated zooplankton grazing, 4 plankton ecological transfer efficiency, and 5 grazer effects on phytoplankton community structure. Taken together, these methods can provide information on community ecological properties that are directly related to practical issues including water quality and fisheries productivity. However, caution is warranted since application without a complete understanding of assumptions and context of the manipulations could lead to erroneous conclusions. As an example, experimental studies involving the addition or removal of zooplankton, especially when coupled with nutrient addition treatments, could provide information on the degree of consumer vs. resource control of phytoplankton. Resource managers subsequently could use this information in developing effective measures for controlling nuisance algal biomass. However, the experiments must be done critically and with sufficient safeguards and other measurements to ensure that treatments (e.g., zooplankton exclosure by screening of water actually are successful and do not introduce other changes in the community (e.g., removal of large algae. In all of the methods described here, the investigator must take care when generalizing results and, in particular, carry out a sufficient number of replications to encompass both the major seasonal and spatial variation that occurs in the ecosystem.

  16. Analysing the nanoporous structure of aramid fibres

    DEFF Research Database (Denmark)

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

    2010-01-01

    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...... fibrillar scattering on the scattering pattern. The fit to the scattering pattern of as-spun aramid fibre is improved by the introduction of the large scatterers, while the fit to the scattering pattern obtained from the heat-treated fibre improves when an orientation distribution is taken into account. It...... is concluded that, as a result of the heat treatment, the average width and length of the scatterers increase....

  17. Structural connectivity analyses in motor recovery research after stroke

    OpenAIRE

    Koch, Philipp; Schulz, Robert; Hummel, Friedhelm C.

    2016-01-01

    Abstract Structural connectivity analyses by means of diffusion‐weighted imaging have substantially advanced the understanding of stroke‐related network alterations and their implications for motor recovery processes and residual motor function. Analyses of the corticospinal tract, alternate corticofugal pathways as well as intrahemispheric and interhemispheric corticocortical connections have not only been related to residual motor function in cross‐sectional studies, but have also been eval...

  18. Accelerated safety analyses - structural analyses Phase I - structural sensitivity evaluation of single- and double-shell waste storage tanks

    International Nuclear Information System (INIS)

    Accelerated Safety Analyses - Phase I (ASA-Phase I) have been conducted to assess the appropriateness of existing tank farm operational controls and/or limits as now stipulated in the Operational Safety Requirements (OSRs) and Operating Specification Documents, and to establish a technical basis for the waste tank operating safety envelope. Structural sensitivity analyses were performed to assess the response of the different waste tank configurations to variations in loading conditions, uncertainties in loading parameters, and uncertainties in material characteristics. Extensive documentation of the sensitivity analyses conducted and results obtained are provided in the detailed ASA-Phase I report, Structural Sensitivity Evaluation of Single- and Double-Shell Waste Tanks for Accelerated Safety Analysis - Phase I. This document provides a summary of the accelerated safety analyses sensitivity evaluations and the resulting findings

  19. 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.

  20. Structural equation analyses of personality, appraisals, and coping relationships

    OpenAIRE

    Kulenović, Alija; Buško, Vesna

    2007-01-01

    The study deals with the hypothesized mediating effects of cognitive appraisals on stressfulness of the event in the personality, stress, and coping processes. The relationships between personality measured by NEO-FFI questionnaire, perceived stressfulness of the event, and situation-specific coping measures, were analyzed in a prospective framework with 421 basic military trainees. Analyses of linear structural models partially supported the hypotheses of Lazarus transactional theory on the ...

  1. 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

  2. Static and dynamic structure analyses of polymer crystals

    International Nuclear Information System (INIS)

    Recent development in static and dynamic structure analyses of polymer crystals has been reviewed. Various methods were developed to enhance the reliability of static structure analysis. Usage of synchrotron high-energy X-ray beam allowed us to increase the total number of observed X-ray reflections by one order. Wide-angle neutron diffraction revealed the hydrogen atomic positions accurately, making it possible to evaluate the mechanical property of polymer crystals quantitatively. Time-resolved measurements of wide-angle and small-angle X-ray scatterings as well as infrared and Raman spectra have revealed the structural revolution processes as seen in the studies of isothermal crystallization and mechanical deformation processes. (author)

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

    International Nuclear Information System (INIS)

    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

  4. 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.

  5. Structural integrity analyses: can we manage the advances?

    International Nuclear Information System (INIS)

    Engineering has been one of a number of disciplines in which significant advances in analysis procedures has taken place in the last two decades. In particular, advances in computer technology and engineering software have revolutionized the assessment of component structural integrity for a wide range of applications. A significant development in computational mechanics directly related to computer technology that has had a profound impact on the field of structural integrity is the finite element method. The finite element method has re-defined and expanded the role of structural integrity assessments by providing comprehensive modelling capabilities to engineers involved in design and failure analyses. As computer processing speeds and capacity have increased, so has the role of computer modelling in assessments of component structural integrity. With new product development cycles shrinking, the role of initial testing is being reduced in favour of computer modelling and simulation to assess component life and durability. For ageing structures, the evaluation of remaining life and the impact of degraded structural integrity becomes tractable with the modern advances in computational methods. The areas of structural integrity that have derived great benefit from the advances in numerical techniques include stress analysis, fracture mechanics, dynamics, heat transfer, structural reliability, probabilistic methods and continuum mechanics in general. One of the salient features of the current methods is the ability to handle large complex steady state or transient dynamic problems that exhibit highly non-linear behaviour. With the ever-increasing usage of these advanced methods, the question is posed: Can we manage the advances? Better still are we managing the advances? As with all technological advances that enter mainstream use, comes the need for education, training and certification in the application of these methods, improved quality assurance procedures and

  6. 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.

  7. 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

  8. Dynamic and thermal analyses of flexible structures in orbit

    Science.gov (United States)

    Lin, Chijie

    Due to the launch cost and functional requirements, space structures, such as satellite antenna, deployable structures, solar sails, the space station, and solar panels, are necessarily built lightweight, large, and very flexible. These space structures undergo large orbital rigid body motions as well as large structural deformations caused by gravitational force and other disturbances, such as shuttle jet impingement loading, deployment factor, thermal effects, and debris impact. It is of utmost importance to study thoroughly the dynamic behavior of flexible structures in orbit under various external forces. In this study, first a finite element methodology program based on the absolute nodal coordinate formulation is developed to determine the coupled structural and orbital response of the flexible structure under gravitational and external loading, i.e., gravitational force, impact force, and jet impingement, and thermal loading. It is found from the simulation results that pitch and structural response of the flexible structures are greatly impacted by the initial and loading conditions, such as orbit eccentricity, initial misalignment, etc. The absolute nodal coordinate formulation may lead to inaccurate results due to the fact that the orbit radius is used for element coordinate, which is much greater than the amplitude of the pitch (attitude) motion and deformations of the orbiting structures. Therefore, to improve the accuracy of structural response in the simulation, a floating (moving) frame that is attached with the orbiting structure's center of mass and that moves parallel to the inertia frame fixed at the Earth's center is introduced to separate the attitude motion and structural deformation from the orbit radius. The finite element formulation is developed in this parallel reference frame system for two and three dimensional beam structures. It is then used to study dynamic response of flexible structures in two and three dimensional orbits. In some

  9. 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 the physic......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...

  10. Transient electromagnetic and dynamic structural analyses of a blanket structure with coupling effects

    International Nuclear Information System (INIS)

    Transient electromagnetic and dynamic structural analyses of a blanket structure in the fusion experimental reactor (FER) under a plasma disruption event and a vertical displacement event (VDE) have been performed to investigate the dynamic structural characteristics and the feasibility of the structure. Coupling effects between eddy currents and dynamic deflections have also been taken into account in these analyses. In this study, the inboard blanket was employed because of our computer memory limitation. A 1/192 segment model of a full torus was analyzed using the analytical code, EDDYCUFF. In the plasma disruption event, the maximum magnetic pressure caused by eddy currents and poloidal fields was 1.2MPa. The maximum stress intensity by this magnetic pressure was 114MPa. In the VDE, the maximum magnetic pressure was 2.4MPa and the maximum stress intensity was 253MPa. This stress was somewhat beyond the allowable stress limit. Therefore, the blanket structure and support design should be reviewed to reduce the stress to a suitable value. In summary, the dynamic structural characteristics and design issues of the blanket structure have been identified. (orig.)

  11. Site response - a critical problem in soil-structure interaction analyses for embedded structures

    International Nuclear Information System (INIS)

    Soil-structure interaction analyses for embedded structures must necessarily be based on a knowledge of the manner in which the soil would behave in the absence of any structure - that is on a knowledge and understanding of the spatial distribution of motions in the ground within the depth of embedment of the structure. The nature of these spatial variations is discussed and illustrated by examples of recorded motions. It is shown that both the amplitude of peak acceleration and the form of the acceleration response spectrum for earthquake motions will necessarily vary with depth and failure to take these variations into account may introduce an unwarranted degree of conservatism into the soil-structure interaction analysis procedure

  12. Analysing the Intellectual Structure of E-Service Research

    OpenAIRE

    Maria Chiara Di Guardo; Marco Galvagno; Francesca Cabiddu

    2012-01-01

    Despite the importance that e-service is gaining among firms and public administrations, academic research on this topic is still in its infancy (Santos, 2003), and relatively little work has been carried out. Although prior analyses have examined the rise and fall of specific theories or research topics within the e-service research field (Rust & Lemon, 2001; Rust & Kannan, 2002; Javalgi et al., 2004; Scupola et al., 2009), they have rarely focused on fundamental questions such as: what type...

  13. Division of Labor in Vocabulary Structure: Insights From Corpus Analyses.

    Science.gov (United States)

    Christiansen, Morten H; Monaghan, Padraic

    2016-07-01

    Psychologists have used experimental methods to study language for more than a century. However, only with the recent availability of large-scale linguistic databases has a more complete picture begun to emerge of how language is actually used, and what information is available as input to language acquisition. Analyses of such "big data" have resulted in reappraisals of key assumptions about the nature of language. As an example, we focus on corpus-based research that has shed new light on the arbitrariness of the sign: the longstanding assumption that the relationship between the sound of a word and its meaning is arbitrary. The results reveal a systematic relationship between the sound of a word and its meaning, which is stronger for early acquired words. Moreover, the analyses further uncover a systematic relationship between words and their lexical categories-nouns and verbs sound differently from each other-affecting how we learn new words and use them in sentences. Together, these results point to a division of labor between arbitrariness and systematicity in sound-meaning mappings. We conclude by arguing in favor of including "big data" analyses into the language scientist's methodological toolbox. PMID:26399384

  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. 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.

  16. 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. PMID:26412653

  17. Seismic response Analyses of Hanaro in-chimney bracket structures

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jae Han; Ryu, J.S.; Cho, Y.G.; Lee, H.Y.; Kim, J.B

    1999-05-01

    The in-chimney bracket will be installed in the upper part of chimney, which holds the capsule extension pipes in upper one-third of length. For evaluating the effects on the capsules and related reactor structures, ANSYS finite element analysis model is developed and the dynamic characteristics are analyzed. The seismic response anlayses of in-chimney bracket and related reactor structures of HANARO under the design earthquake response spectrum loads of OBE (0.1 g) and SSE (0.2 g) are performed. The maximum horizontal displacements of the flow tubes are within the minimum half gaps between close flow tubes, it is expected that these displacement will not produce any contact between neighbor flow tubes. The stress values in main points of reactor structures and in-chimney bracket for the seismic loads are also within the ASME Code limits. It is also confirmed that the fatigue usage factor is muchless than 1.0. So, any damage on structural integrity is not expected when an in-chimney bracket is installed to upper part of the reactor chimney. (author). 12 refs., 24 tabs., 37 figs.

  18. A shock absorber model for structure-borne noise analyses

    Science.gov (United States)

    Benaziz, Marouane; Nacivet, Samuel; Thouverez, Fabrice

    2015-08-01

    Shock absorbers are often responsible for undesirable structure-borne noise in cars. The early numerical prediction of this noise in the automobile development process can save time and money and yet remains a challenge for industry. In this paper, a new approach to predicting shock absorber structure-borne noise is proposed; it consists in modelling the shock absorber and including the main nonlinear phenomena responsible for discontinuities in the response. The model set forth herein features: compressible fluid behaviour, nonlinear flow rate-pressure relations, valve mechanical equations and rubber mounts. The piston, base valve and complete shock absorber model are compared with experimental results. Sensitivity of the shock absorber response is evaluated and the most important parameters are classified. The response envelope is also computed. This shock absorber model is able to accurately reproduce local nonlinear phenomena and improves our state of knowledge on potential noise sources within the shock absorber.

  19. Designs and Analyses in Structured Peer-To-Peer Systems

    OpenAIRE

    El-Ansary, Sameh

    2005-01-01

    Peer-to-Peer (P2P) computing is a recent hot topic in the areas of networking and distributed systems. Work on P2P computing was triggered by a number of ad-hoc systems that made the concept popular. Later, academic research efforts started to investigate P2P computing issues based on scientific principles. Some of that research produced a number of structured P2P systems that were collectively referred to by the term "Distributed Hash Tables" (DHTs). However, the research occurred in a diver...

  20. Structured Intuition: A Methodology to Analyse Entity Authentication

    DEFF Research Database (Denmark)

    Ahmed, Naveed

    . Sometimes, a single failure of authentication affects the system for a long time, e.g., if an adversary is able to install a malicious program, such as a root kit, back door, key logger, bot, or other malware. Therefore, security protocols, which can resist a resourceful adversary, are used to authenticate...... and the level of abstraction used in the analysis. Thus, the goal of developing a high level methodology that can be used with different notions of security, authentication, and abstraction is worth considering. In this thesis, we propose a new methodology, called the structured intuition (SI), which addresses...

  1. Structural integrity analyses of aging gas turbine engines

    International Nuclear Information System (INIS)

    This presentation describes the modes of degradation that are operative in durability critical gas path components such as blades and vanes and safety critical rotating components such as discs, spacers and cooling plates in aging gas turbine engines. How long aging engine fleets can be kept in service safely, without replacing a significant portion of their aging structural components, is a growing concern for engine life-cycle managers? This concern arises as a result of uncertainties associated with their residual lives. Another concern is the high maintenance cost associated with the replacement of aging components and the need to balance risk and escalating maintenance costs without compromising safety. The presentation also focusses on component life extension strategies that engine life cycle managers may adopt to cost effectively manage their engines while ensuring safety and reliability. In the case of aero-engines, maintaining airworthiness while ensuring affordability is of prime concern to both life-cycle managers and regulatory authorities. The presentation reviews the basic requirements of qualification methodologies that must be followed to introduce repairs, design modifications and new materials in aging engines. Some of these tests are necessary to establish structural performance requirements and to ensure structural integrity and performance throughout the extended life period. New engine standards have also emerged that allow the application of fracture mechanics based damage tolerance concepts to be used for safety-critical parts beyond their conventional safe-life limits such that a component is only retired once it develops a detectable crack at the fracture critical location. The implementation of this methodology however requires quantification of uncertainties associated with the inspection technique used to inspect the engine at overhaul, material variability and the critical crack size at fracture critical location. The presentation

  2. 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

  3. Analysing DNA structural parameters using a mesoscopic model

    Science.gov (United States)

    Amarante, Tauanne D.; Weber, Gerald

    2014-03-01

    The Peyrard-Bishop model is a mesoscopic approximation to model DNA and RNA molecules. Several variants of this model exists, from 3D Hamiltonians, including torsional angles, to simpler 2D versions. Currently, we are able to parametrize the 2D variants of the model which allows us to extract important information about the molecule. For example, with this technique we were able recently to obtain the hydrogen bonds of RNA from melting temperatures, which previously were obtainable only from NMR measurements. Here, we take the 3D torsional Hamiltonian and set the angles to zero. Curiously, in doing this we do not recover the traditional 2D Hamiltonians. Instead, we obtain a different 2D Hamiltonian which now includes a base pair step distance, commonly known as rise. A detailed knowledge of the rise distance is important as it determines the overall length of the DNA molecule. This 2D Hamiltonian provides us with the exciting prospect of obtaining DNA structural parameters from melting temperatures. Our results of the rise distance at low salt concentration are in good qualitative agreement with those from several published x-ray measurements. We also found an important dependence of the rise distance with salt concentration. In contrast to our previous calculations, the elastic constants now show little dependence with salt concentrations which appears to be closer to what is seen experimentally in DNA flexibility experiments.

  4. Sequence and structural analyses of interleukin-8-like chemokine superfamily.

    Science.gov (United States)

    Kanagarajadurai, Karuppiah; Sowdhamini, Ramanathan

    2008-01-01

    Interleukin-8 and related chemokines are small proteins that bind to receptors belonging to the large family of G-protein-coupled receptors. They can cause migration of cells like neutrophils and eosinophils and some of them are implicated in angiogenic diseases. More than 40 subfamilies of these ligands are known that share poor sequence similarity and display receptor specificity. There is very little structural information about the mode of binding between ligands and the receptors. We have employed multi-fold sensitive sequence search methods to provide a repertoire of 252 putative interleukin-8 proteins and homologues, which are shared across humans, aves and fish. The sequences can be organized into five major known clusters. The propensity of occurrence of certain amino acid alphabets is found to be specific in different locations of the polypeptide fold. The sequence dispersion is also observed to be cluster-specific when examined by Evolutionary Trace procedure. Amino acid alphabet analysis and Evolutionary Trace procedure reveal cluster-specific amino acid distribution that provide clues about how the small fold of the ligand could display remarkable receptor specificity. We notice regions, like the beta1-beta2 loop of the fold, that are potentially involved in receptor recognition and specificity that could be potential sites for residue mutations. Systematic studies of the distribution patterns enable better understanding of the evolution and molecular recognition of this important and diverse protein superfamily. PMID:19032164

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

    International Nuclear Information System (INIS)

    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

  6. 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.

  7. Seismic design technology for breeder reactor structures. Volume 2. Special topics in soil/structure interaction analyses

    International Nuclear Information System (INIS)

    This volume is divided into six chapters: definition of seismic input ground motion, review of state-of-the-art procedures, analysis guidelines, rock/structure interaction analysis example, comparison of two- and three-dimensional analyses, and comparison of analyses using FLUSH and TRI/SAC Codes

  8. Axisymmetric finite element analyses of the KKP-II containment and reactor pressure vessel structures

    International Nuclear Information System (INIS)

    Two refined axisymmetric finite element models were used for the dynamic seismic analyses of the KKP-II Containment and RPV structures, using a postulated ground motion time history. One model was established primarily for the response of the containment structure, whereas the other was used for the response of the reactor pressure vessel plus internals. (Auth.)

  9. The Logic and Interpretation of Structure Coefficients in Multivariate General Linear Model Analyses.

    Science.gov (United States)

    Henson, Robin K.

    In General Linear Model (GLM) analyses, it is important to interpret structure coefficients, along with standardized weights, when evaluating variable contribution to observed effects. Although often used in canonical correlation analysis, structure coefficients are less frequently used in multiple regression and several other multivariate…

  10. 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.

  11. AN ASSESSMENT OF SIMPLIFIED VS. DETAILED METHODOLOGIES FOR SSI ANALYSES OF DEEPLY EMBEDDED STRUCTURES

    International Nuclear Information System (INIS)

    Sponsored by the US Nuclear Regulatory Commission (NRC), Brookhaven National Laboratory (BNL) is carrying out a research program to develop a technical basis to support the safety evaluation of deeply embedded and/or buried (DEB) structures as proposed for advanced reactor designs. In this program, the methods and computer programs established for the assessment of soil-structure interaction (SSI) effects for the current generation of light water reactors are evaluated to determine their applicability and adequacy in capturing the seismic behavior of DEB structures. This paper presents an assessment of the simplified vs. detailed methodologies for seismic analyses of DEB structures. In this assessment, a lump-mass beam model is used for the simplified approach and a finite element representation is employed for the detailed method. A typical containment structure embedded in a soil profile representative of a typical nuclear power plant site was utilized, considering various embedment depths from shallow to full burial. BNL used the CARES program for the simplified model and the SASSI2000 program for the detailed analyses. The calculated response spectra at the key locations of the DEB structure are used for the performance assessment of the applied methods for different depths of burial. Included in the paper are: (1) the description of both the simplified and detailed models for the SSI analyses of the DEB structure, (2) the comparison of the analysis results for the different depths of burial between the two methods, and (3) the performance assessment of the analysis methodologies for SSI analyses of DEB structures. The resulting assessment from this study has indicated that simplified methods may be capable of capturing the seismic response for much deeper embedded structures than would be normally allowed by the standard practice

  12. Non Linear Analyses for the Evaluation of Seismic Behavior of Mixed R.C.-Masonry Structures

    International Nuclear Information System (INIS)

    In this work the seismic behavior of masonry buildings with mixed structural system, consisting of perimeter masonry walls and internal r.c. frames, is studied by means of non linear static (pushover) analyses. Several aspects, like the distribution of seismic action between masonry and r.c. elements, the local and global behavior of the structure, the crisis of the connections and the attainment of the ultimate strength of the whole structure are examined. The influence of some parameters, such as the masonry compressive and tensile strength, on the structural behavior is investigated. The numerical analyses are also repeated on a building in which the r.c. internal frames are replaced with masonry walls

  13. Structural and seismic analyses of waste facility reinforced concrete storage vaults

    International Nuclear Information System (INIS)

    Facility 317 of Argonne National Laboratory consists of several reinforced concrete waste storage vaults designed and constructed in the late 1940's through the early 1960's. In this paper, structural analyses of these concrete vaults subjected to various natural hazards are described, emphasizing the northwest shallow vault. The natural phenomenon hazards considered include both earthquakes and tornados. Because these vaults are deeply embedded in the soil, the SASSI (System Analysis of Soil-Structure Interaction) code was utilized for the seismic calculations. The ultimate strength method was used to analyze the reinforced concrete structures. In all studies, moment and shear strengths at critical locations of the storage vaults were evaluated. Results of the structural analyses show that almost all the waste storage vaults meet the code requirements according to ACI 349--85. These vaults also satisfy the performance goal such that confinement of hazardous materials is maintained and functioning of the facility is not interrupted

  14. 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.

  15. Analyses of a steel containment vessel with an outer contact structure under severe internal overpressurization conditions

    International Nuclear Information System (INIS)

    Many Mark-I and Mark-II BWR plants are designed with a steel vessel as the primary containment. Typically, the steel containment vessel (SCV) is enclosed within a reinforced concrete shield building with only a small gap (74-90 mm) separating the two structures. This paper describes finite element analyses performed to evaluate the effects of contact and friction between a steel containment vessel and an outer contact structure when the containment vessel is subjected to large internal pressures. These computations were motivated by a joint program on containment integrity involving the Nuclear Power Engineering Corporation (NUPEC) of Japan, the US Nuclear Regulatory Commission (NRC), and Sandia National Laboratories for testing model containments. Under severe accident loading conditions, the steel containment vessel in a typical Mark-I or Mark-II plant may deform under internal pressurization such that it contacts the inner surface of a shield building wall. (Thermal expansion from increasing accident temperatures would also close the gap between the SCV and the shield building, but temperature effects are not considered in these analyses.) The amount and location of contact and the pressure at which it occurs all affect how the combined structure behaves. A preliminary finite element model has been developed to analyze a model of a typical steel containment vessel con-ling into contact with an outer structure. Both the steel containment vessel and the outer contact structure were modelled with axisymmetric shell finite elements. Of particular interest are the influence that the contact structure has on deformation and potential failure modes of the containment vessel. Furthermore, the coefficient of friction between the two structures was varied to study its effects on the behavior of the containment vessel and on the uplift loads transmitted to the contact structure. These analyses show that the material properties of an outer contact structure and the amount

  16. Fine-scale spatial genetic structure of eight tropical tree species as analysed by RAPDs.

    Science.gov (United States)

    Degen, B; Caron, H; Bandou, E; Maggia, L; Chevallier, M H; Leveau, A; Kremer, A

    2001-10-01

    The fine-scale spatial genetic structure of eight tropical tree species (Chrysophyllum sanguinolentum, Carapa procera, Dicorynia guianensis, Eperua grandiflora, Moronobea coccinea, Symphonia globulifera, Virola michelii, Vouacapoua americana) was studied in populations that were part of a silvicultural trial in French Guiana. The species analysed have different spatial distribution, sexual system, pollen and seed dispersal agents, flowering phenology and environmental demands. The spatial position of trees and a RAPD data set for each species were combined using a multivariate genetic distance method to estimate spatial genetic structure. A significant spatial genetic structure was found for four of the eight species. In contrast to most observations in temperate forests, where spatial structure is not usually detected at distances greater than 50 m, significant genetic structure was found at distances up to 300 m. The relationships between spatial genetic structure and life history characteristics are discussed. PMID:11737299

  17. Approximate and detailed analyses for structures of reactor containment buildings, using three-dimensional computer program

    International Nuclear Information System (INIS)

    Three-dimensional programs were developed and proved to be fast and reliable tools for the analysis in each phase of the design of nuclear reactor building structures. Short descriptions and size of models used are given for the following analyses: preliminary analysis for all structures of a BWR reactor containment building; preliminary analysis for selection of structural solution of a reactor pedestal structure; independent checking analysis for the primary containment structures of a BWR; independent checking analysis of a reactor shield structure, and test analysis with a simplified model for the seismic response analysis of a reactor drywell structure. Description of analysis and model sizes for two complex structures is also given: building structure of a breeder reactor with detailed non-linear analysis of the internal support structure for 30 million pound hypothetic accident loads. Model sizes: 1570 and 1032 nodes respectively. Drywell structure, which serves as a primary containment and also carries the weight of the upper fuel pools. Loading conditions include internal and external pressures, thermal, seismic and other loads. Model size: 1350 nodes

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

    International Nuclear Information System (INIS)

    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

    International Nuclear Information System (INIS)

    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 SiO2 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. 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.

  1. Structure analyses of rubber-filler systems by using contrast variation SANA

    International Nuclear Information System (INIS)

    Rubber-filler systems have been one of the most successful composite materials and have been widely used in industry such as tire and belts so on. Fillers reinforce rubbers by compounding and improve the mechanical and barrier properties of the rubber compounds. We need to explore the adsorption of rubber around filler particles in terms of structure analyses to clarify the correlation between the mechanical properties and the structures for rubberfiller systems. In this study, the polymer layers absorbed on silica particles in rubber-silica systems have investigated with contrast variation SANS method. Specimens were swollen by the solvents having various scattering length densities and measured their SANS intensity. We calculated the partial scattering functions by using singular value decomposition: the scattering function for polymer-polymer correlation SPP(q), the scattering function for silica- silica correlation SSS(q), and the scattering function for polymersilica correlation SPS(q) as shown in Fig.1. The analyses of SPS(q) and SSS(q) explored the existence of dense polymer layers around silica aggregates. SSS(q) reflects hierarchical structures formed by silica particles. To characterize the adsorption layer quantitatively, we calculated the scattering functions for the model consisting of the aggregation of Silica particles, the adsorption layers on the silica particles and the matrix region. We use the mass fractal model having upper limit for the aggregation of Silica particles, and object with sharp interface for the regions adsorption layers and silica aggregates to calculate the partial scattering functions. The model can well express the experimental partial scattering functions and several characteristic parameters are estimated from the analyses, such as the size of aggregates, the thickness of layers, the volume fractions of polymer of layers and matrix, and the correlation length of the matrix network. The contrast variation SANS is found to be

  2. Conceptual framework for analysing structural change in agriculture and rural livelihoods

    OpenAIRE

    Buchenrieder, Gertrud

    2007-01-01

    The Deliverable 2.1 (D2.1) of the SCARLED project provides the conceptual framework for analysing structural change in agriculture and rural livelihoods in the NMS and established Member States of the EU. It concisely summarizes the underlying theories and concepts of the pertinent research issues in SCARLED. SCARLED addresses a topic of wide interest with regard to the identification of past and future key social and agricultural restructuring processes for a living countryside in the NMS. M...

  3. Stress intensity factor analyses of surface cracks in three-dimensional structures

    International Nuclear Information System (INIS)

    The stress intensity factor analyses of surface cracks in various three-dimensional structures were performed using the finite element computer program EPAS-J1. The results obtained by EPAS-J1 were compared with other finite element solutions or results obtained by the simplified estimation methods. Among the simplified estimation methods, the equations proposed by Newman and Raju give the distributions of the stress intensity factor along a crack front, which were compared with the result obtained by EPAS-J1. It was confirmed by comparing the results that EPAS-J1 gives reasonable stress intensity factors of surface cracks in three-dimensional structures. (author)

  4. ANALYSING EFFECT OFORGANIZATIONAL STRUCTURE ON ORGANIZATIONAL POLITICS AND PROCEDURAL JUSTICE WITH STRUCTURAL EQUATION MODELLING

    OpenAIRE

    Fusun Cinar Altintas

    2007-01-01

    Organizational politics concept tries to explain individual’s and group’s politics behaviors in organizations. On the contrary procedural justice describes the fairness of procedures used in the allocation process. It is true that the factors related organizational structure like formalization and centralization (participation in decision making and authority hierarchy) have an effect on perceptions of organizational politics and precedural justice. In this manner, this study examined the...

  5. Cs corrected STEM EELS: Analysing beam sensitive carbon nanomaterials in cellular structures

    International Nuclear Information System (INIS)

    Identification of individual single wall nanotubes (SWNTs) within a cellular structure can provide vital information towards understanding the potential mechanisms of uptake, their localisation and whether their structure is transformed within a cell. To be able to image an individual SWNT in such an environment a resolution is required that is not usually appropriate for biological sections. Standard transmission electron microscopy (TEM) techniques such as bright field imaging of these cellular structures result in very weak contrast. Traditionally, researchers have stained the cells with heavy metal stains to enhance the cellular structure, however this can lead to confusion when analysing the samples at high resolution. Subsequently, alternative methods have been investigated to allow high resolution imaging and spectroscopy to identify SWNTs within the cell; here we will concentrate on the sample preparation and experimental methods used to achieve such resolution.

  6. The application of fluid structure interaction techniques within finite element analyses of water filled transport flasks

    International Nuclear Information System (INIS)

    Historically, finite-element (FE) analyses of water-filled transport flasks and their payloads have been carried out assuming a dry environment, mainly due to lack of robust fluid structure interaction (FSI) modelling techniques. Recent years have seen significant improvements in FSI techniques. These FSI techniques have been used to investigate the effects of assuming a wet environment for the regulatory drop test within a recent Rolls-Royce Naval Marine licence renewal application. This paper will present the FSI capabilities available within various FE codes. The required structural aspects of the FE codes will also be discussed, in particular material models, as these also influence the final code selection. Two explicit dynamic FE codes were finally identified, LS-DYNA, which was used in the extant dry analyses, and RADIOSS, which was used to provided additional confidence in the FSI calculations. Fluid flow and pressure vary significantly during an impact and the effects on the contents become complex when water is incorporated into the flask analyses. Therefore, a verification and validation (V and V) exercise was undertaken to underpin the FSI techniques eventually used. Modelling a fluid environment within the entire flask to capture the explicit effects of fluid on a complex structure is impractical. A good understanding of the FSI techniques and assumptions regarding the fluid boundaries is therefore required for a representative FSI model. A number of V and V problems are presented which test key features required for analysing the payload in a water environment. In conclusion the paper will discuss FSI technology, lessons learnt, limitations of FSI techniques and further possible applications. (author)

  7. Application of resistance gene analog markers to analyses of genetic structure and diversity in rice.

    Science.gov (United States)

    Ren, Juansheng; Yu, Yuchao; Gao, Fangyuan; Zeng, Lihua; Lu, Xianjun; Wu, Xianting; Yan, Wengui; Ren, Guangjun

    2013-07-01

    Plant disease resistance gene analog (RGA) markers were designed according to the conserved sequence of known RGAs and used to map resistance genes. We used genome-wide RGA markers for genetic analyses of structure and diversity in a global rice germplasm collection. Of the 472 RGA markers, 138 were polymorphic and these were applied to 178 entries selected from the USDA rice core collection. Results from the RGA markers were similar between two methods, UPGMA and STRUCTURE. Additionally, the results from RGA markers in our study were agreeable with those previously reported from SSR markers, including cluster of ancestral classification, genetic diversity estimates, genetic relatedness, and cluster of geographic origins. These results suggest that RGA markers are applicable for analyses of genetic structure and diversity in rice. However, unlike SSR markers, the RGA markers failed to differentiate temperate japonica, tropical japonica, and aromatic subgroups. The restricted way for developing RGA markers from the cDNA sequence might limit the polymorphism of RGA markers in the genome, thus limiting the discriminatory power in comparison with SSR markers. Genetic differentiation obtained using RGA markers may be useful for defining genetic diversity of a suite of random R genes in plants, as many studies show a differentiation of resistance to a wide array of pathogens. They could also help to characterize the genetic structure and geographic distribution in crops, including rice, wheat, barley, and banana. PMID:24099390

  8. Structure-acoustic finite element analyses for noise reduction investigations of launcher payload compartment structures made of CFRP sandwich material

    Science.gov (United States)

    Faust, M.; Schweickert, G.; Strobel, F.

    1991-10-01

    An investigation of the noise reduction properties of the Ariane 5 Speltra payload compartment structure is reported. The low frequency noise reduction was calculated by the Finite Element Method (FEM) with a formulation for fluid structure interaction (FE code PERMAS-FS). The results of the different analysis steps including uncoupled and coupled analysis are presented. The uncoupled structure and cavity dynamics results were compared to closed form solutions with good agreement. The introduction of external field effects, i.e. radiation damping and scattering, was performed by using closed form solutions for cylinder type structures. The analyses were performed for 2 different test cylinders and the Speltra cylindrical part. The test cylinder results were compared with the measured noise reductions and good agreement was obtained.

  9. The impact of television viewing on brain structures: 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

    2015-05-01

    Television (TV) viewing is known to affect children's verbal abilities and other physical, cognitive, and emotional development in psychological studies. However, the brain structural development associated with TV viewing has never been investigated. Here we examined cross-sectional correlations between the duration of TV viewing and regional gray/white matter volume (rGMV/rWMV) among 133 boys and 143 girls as well as correlations between the duration of TV viewing and longitudinal changes that occurred a few years later among 111 boys and 105 girls. After correcting for confounding factors, we found positive effects of TV viewing on rGMV of the frontopolar and medial prefrontal areas in cross-sectional and longitudinal analyses, positive effects of TV viewing on rGMV/rWMV of areas of the visual cortex in cross-sectional analyses, and positive effects of TV viewing on rGMV of the hypothalamus/septum and sensorimotor areas in longitudinal analyses. We also confirmed negative effects of TV viewing on verbal intelligence quotient (IQ) in cross-sectional and longitudinal analyses. These anatomical correlates may be linked to previously known effects of TV viewing on verbal competence, aggression, and physical activity. In particular, the present results showed effects of TV viewing on the frontopolar area of the brain, which has been associated with intellectual abilities. PMID:24256892

  10. Dynamic characteristic and seismic response analyses for installation of in-chimney bracket structures in HANARO

    International Nuclear Information System (INIS)

    The in-chimney bracket structures will be installed on the upper part of chimney, which holds the capsule extension pipes in upper one-third of length. For evaluating the seismic effects on the capsules and related reactor structures by installation of the in-chimney bracket, an ANSYS analysis model is developed, and the dynamic characteristics are analyzed. The seismic response analyses of in-chimney bracket and related reactor structures of HANARO under the design earthquake response spectrum loads of SSE(0.2g) are performed. The several candidated designs of the capsule extension pipes and support spring stiffness to meet the displacement limit of the flow tubes in core region are proposed

  11. 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.

  12. X-ray structure analyses of biological molecules and particles in Japan. A brief history and future prospect

    International Nuclear Information System (INIS)

    In Japan, X-ray structure analyses of molecules and particles from biology started in the 1970s. The structure analysis methods have been developed through the innovation of various techniques in advance, and have contributed for understanding the elementary and microscopic processes in life. Here we summarize briefly the history of X-ray structure analyses for structural biology in Japan and think about the prospect. (author)

  13. The ''THERMOST'' for analysing thermo-structural behaviour of LWR fuel rod under PCI conditions

    International Nuclear Information System (INIS)

    As one of the methods for evaluating the fuel rod performances under power ramping or load following operations, the combined ''FROST'' and ''THERMOST'' system has been developed and being brought into practical use. The former had already been presented at Blackpool Meeting in 1978, and the latter is going to be presented in this paper. The major purpose of the THERMOST is to analyse very detailed thermal and structural fuel behaviours in a rather localized part of fuel rod whereas the FROST deals with whole-rod-wide general performances. The code handles 2-dimensional thermal and structural analyses simultaneously by using finite element method, in axial section wide or in lateral section wide. It consists of a fundamental FEM system of generalized constitution and its surrounding subroutine system which characterizes fuel behaviours such as temperature distribution, thermal expansion, elastoplasticity, creep, cracking, swelling, growth, etc. Thermal analysis is handled by heat conduction and heat transfer elements (6 kinds) and structural analysis by axisymmetric ring and lateral plane elements (6 kinds). Boundary problems such as contact, friction and cracking are treated by gap and crack elements. A sample calculation of PCI performance on a PWR fuel rod under ramping condition is presented with some inpile test data. (author)

  14. China & India - Analysing The Current & Anticipating the Future Asian Security Structure

    OpenAIRE

    Ølgaard, Daniel Møller; Gill, Tina S.L.; Sousa, David; Löchte, Ida; Wasiq, Mujeeb; Maximillian, Lukas Müller

    2012-01-01

    This project investigates the positions of India and China in the context of the Asian region. Our focus on these two states owes to their currently increasing relevance as economies and powers. In order to analyse them in their regional context, we apply the Regional Security Complex Theory by Barry Buzan and seek to answer two questions: By focusing on China and India, what is the current security structure of the Asian regional security complex (RSC)? And based on this, what is the most li...

  15. 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.

  16. Static and Vibration Analyses of General Wing Structures Using Equivalent Plate Models

    Science.gov (United States)

    Kapania, Rakesh K.; Liu, Youhua

    1999-01-01

    An efficient method, using equivalent plate model, is developed for studying the static and vibration analyses of general built-up wing structures composed of skins, spars, and ribs. The model includes the transverse shear effects by treating the built-up wing as a plate following the Reissner-Mindlin theory, the so-called First-order Shear Deformation Theory (FSDT). The Ritz method is used with the Legendre polynomials being employed as the trial functions. This is in contrast to previous equivalent plate model methods which have used simple polynomials, known to be prone to numerical ill-conditioning, as the trial functions. The present developments are evaluated by comparing the results with those obtained using MSC/NASTRAN, for a set of examples. These examples are: (i) free-vibration analysis of a clamped trapezoidal plate with (a) uniform thickness, and (b) non-uniform thickness varying as an airfoil, (ii) free-vibration and static analyses (including skin stress distribution) of a general built-up wing, and (iii) free-vibration and static analyses of a swept-back box wing. The results obtained by the present equivalent plate model are in good agreement with those obtained by the finite element method.

  17. Analyses of a steel containment vessel with an outer contact structure under severe internal overpressurization conditions

    International Nuclear Information System (INIS)

    Many Mark-I and Mark-II BWR plants are designed with a steel vessel as the primary containment. Typically, the steel containment vessel (SCV) is enclosed within a reinforced concrete shield building with only a small gap (50--90mm) separating the two structures. This paper describes finite element analyses performed to evaluate the effects of contact and friction between a steel containment vessel and an outer contact structure when the containment vessel is subjected to large internal pressures. These computations were motivated by a joint program on containment integrity involving the Nuclear Power Engineering Corporation (NUPEC) of Japan, the US Nuclear Regulatory Commission (NRC), and Sandia National Laboratories for testing model containments

  18. 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)

  19. 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

  20. Development of ITER divertor Thomson scattering support structure design on the basis of engineering analyses

    International Nuclear Information System (INIS)

    Highlights: • The results of multiphysics simulations for TS support structure in consequent design iterations are presented and discussed. • The close to final design of front diagnostic rack developed on the basis of simulation results and suitable to sustain all main ITER loads is presented. • The distortion of mirrors surfaces is analyzed and possible problems are indicated. • The new design of the mirror mounting system is proposed. - Abstract: The support structure for divertor Thomson scattering equipment – the front diagnostic rack, which actually plays plugging role of the divertor port, should be designed to sustain the severe ITER conditions. Meeting the requirements of multifield analyses (which often contradict each other) results in an iterative design process. A number of design variants based on engineering analyses results were developed in 2011–2012. We study here the close to the final design of the diagnostic rack for consistency to electromagnetic, thermal and seismic loads. The specific ITER environment imposes a restricted list of materials and requires a careful design of optical elements to accommodate their thermal expansion. Special attention is focused on the mirror deformed shape under operating loading conditions and its effect on optical system performance, which is vital for all optical systems with mirrors specially designed for the ITER

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

    International Nuclear Information System (INIS)

    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)

  2. 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)

  3. 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...

  4. 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.

  5. 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.

  6. VLDP web server: a powerful geometric tool for analysing protein structures in their environment.

    Science.gov (United States)

    Esque, Jérémy; Léonard, Sylvain; de Brevern, Alexandre G; Oguey, Christophe

    2013-07-01

    Protein structures are an ensemble of atoms determined experimentally mostly by X-ray crystallography or Nuclear Magnetic Resonance. Studying 3D protein structures is a key point for better understanding protein function at a molecular level. We propose a set of accurate tools, for analysing protein structures, based on the reliable method of Voronoi-Laguerre tessellations. The Voronoi Laguerre Delaunay Protein web server (VLDPws) computes the Laguerre tessellation on a whole given system first embedded in solvent. Through this fine description, VLDPws gives the following data: (i) Amino acid volumes evaluated with high precision, as confirmed by good correlations with experimental data. (ii) A novel definition of inter-residue contacts within the given protein. (iii) A measure of the residue exposure to solvent that significantly improves the standard notion of accessibility in some cases. At present, no equivalent web server is available. VLDPws provides output in two complementary forms: direct visualization of the Laguerre tessellation, mostly its polygonal molecular surfaces; files of volumes; and areas, contacts and similar data for each residue and each atom. These files are available for download for further analysis. VLDPws can be accessed at http://www.dsimb.inserm.fr/dsimb_tools/vldp. PMID:23761450

  7. 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

  8. 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. PMID:27033689

  9. 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.

  10. Comparing of Normal Stress Distribution in Static and Dynamic Soil-Structure Interaction Analyses

    Science.gov (United States)

    Kholdebarin, Alireza; Massumi, Ali; Davoodi, Mohammad; Tabatabaiefar, Hamid Reza

    2008-07-01

    It is important to consider the vertical component of earthquake loading and inertia force in soil-structure interaction analyses. In most circumstances, design engineers are primarily concerned about the analysis of behavior of foundations subjected to earthquake-induced forces transmitted from the bedrock. In this research, a single rigid foundation with designated geometrical parameters located on sandy-clay soil has been modeled in FLAC software with Finite Different Method and subjected to three different vertical components of earthquake records. In these cases, it is important to evaluate effect of footing on underlying soil and to consider normal stress in soil with and without footing. The distribution of normal stress under the footing in static and dynamic states has been studied and compared. This Comparison indicated that, increasing in normal stress under the footing caused by vertical component of ground excitations, has decreased dynamic vertical settlement in comparison with static state.

  11. 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

  12. 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.

  13. Structural, bioinformatic, and in vivo analyses of two Treponema pallidum lipoproteins reveal a unique TRAP transporter

    Science.gov (United States)

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

    2012-01-01

    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 TPR-protein associated TRAP transporters (TPATs) that require the action of a TPR-containing accessory protein for the periplasmic transport of a potentially hydrophobic ligand(s). PMID:22306465

  14. 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.

  15. 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).

  16. 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

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

    International Nuclear Information System (INIS)

    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

  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. Genetic diversity at the Dhn3 locus in Turkish Hordeum spontaneum populations with comparative structural analyses.

    Science.gov (United States)

    Uçarlı, Cüneyt; McGuffin, Liam J; Çaputlu, Süleyman; Aravena, Andres; Gürel, Filiz

    2016-01-01

    We analysed Hordeum spontaneum accessions from 21 different locations to understand the genetic diversity of HsDhn3 alleles and effects of single base mutations on the intrinsically disordered structure of the resulting polypeptide (HsDHN3). HsDHN3 was found to be YSK2-type with a low-frequency 6-aa deletion in the beginning of Exon 1. There is relatively high diversity in the intron region of HsDhn3 compared to the two exon regions. We have found subtle differences in K segments led to changes in amino acids chemical properties. Predictions for protein interaction profiles suggest the presence of a protein-binding site in HsDHN3 that coincides with the K1 segment. Comparison of DHN3 to closely related cereals showed that all of them contain a nuclear localization signal sequence flanking to the K1 segment and a novel conserved region located between the S and K1 segments [E(D/T)DGMGGR]. We found that H. vulgare, H. spontaneum, and Triticum urartu DHN3s have a greater number of phosphorylation sites for protein kinase C than other cereal species, which may be related to stress adaptation. Our results show that the nature and extent of mutations in the conserved segments of K1 and K2 are likely to be key factors in protection of cells. PMID:26869072

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

    Science.gov (United States)

    2011-01-01

    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. PMID:22171549

  1. 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…

  2. 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

  3. 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

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

    International Nuclear Information System (INIS)

    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

  5. CIU and Main Event Analyses of the Structured Discourse of Older and Younger Adults

    Science.gov (United States)

    Capilouto, Gilson; Wright, Heather Harris; Wagovich, Stacy A.

    2005-01-01

    Correct information unit (CIU) and main event analyses are quantitative measures for analyzing discourse of individuals with aphasia. Comparative data from healthy younger (YG) and older (OD) adults and an investigation of the influence of stimuli type would considerably extend the usefulness of such analyses. The objectives were (a) to compare…

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

    International Nuclear Information System (INIS)

    Transparent barium titanoborate glass-ceramics bearing TiO2 (anantase) nanocrystals were prepared by the conventional melt-quenching and subsequent heat treatment of 35BaO–xTiO2–110B2O3 (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 TiO2 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 TiO2 contents in the glass, the crystallization peak temperature of TiO2 decreases, while the activation energy for crystallization increases. We propose a possible mechanism for the formation of TiO2 nanocrystals based upon kinetic analysis results and structural changes in barium titanoborate glass matrices according to TiO2 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 TiO2 nanocrystal formation mechanism in borate glasses. • TiO2 seems not to be involved in the borate glass network forming. • Crystallization temperature increases and activation E decreases with TiO2 content. • Increasing number of non-bridging oxygens affect the crystallization kinetics. • UV-light blocking and photocatalytic properties were identified for glass-ceramics

  7. 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. PMID:25503521

  8. 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.

  9. 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.

  10. 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.

  11. PEG/CaFe2O4 nanocomposite: Structural, morphological, magnetic and thermal analyses

    Science.gov (United States)

    Khanna, Lavanya; Verma, Narendra K.

    2013-10-01

    The coating of Polyethylene Glycol (PEG) on calcium ferrite (CaFe2O4) nanoparticles has been reported in the present study. The X-ray diffraction pattern revealed the formation of orthorhombic structure of bare CaFe2O4 nanoparticles, which was also retained after the PEG coating, along with additional characteristic peaks of PEG at 19° and 23°. The rings of CaFe2O4 nanoparticles were identified by the selected area electron diffraction pattern. The characteristic bands of PEG as observed in its Fourier transform infrared spectrum were also present in PEG coated CaFe2O4 nanoparticles, hence confirming its presence. In the thermal gravimetric studies, the complete thermal decomposition of PEG occurred in a one step process, but in case of PEG coated CaFe2O4 nanoparticles, the decomposition took place at a higher temperature owing to the formation of covalent bonds of PEG with CaFe2O4 nanoparticles. The presence of PEG on CaFe2O4 nanoparticles, spherical formation of PEG coated CaFe2O4 nanoparticles and reduced agglomeration in the CaFe2O4 nanoparticles were revealed by high resolution transmission electron microscope, transmission electron microscope and scanning electron microscope studies, respectively. In vibrating sample magnetometer analysis, both bare as well as coated CaFe2O4 nanoparticles exhibited superparamagnetic behavior. However, a drop in the magnetic saturation value was observed from 36.76 emu/g for CaFe2O4 nanoparticles to 6.74 emu/g for PEG coated CaFe2O4 nanoparticles, due to the formation of magnetically dead layer of PEG. In ZFC and FC analyses, superparamagnetic behavior with blocking temperature for bare and coated nanoparticles has been observed at ∼40 K and ∼60 K, respectively. The increase in the blocking temperature is attributed to the increase in the particle size after PEG coating.

  12. Proceedings of the international workshop on structural analyses bridging over between amorphous and crystalline materials (SABAC2008)

    International Nuclear Information System (INIS)

    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 lattice disorders cannot be studied by conventional crystal structure analyses such as Rietveld analysis. Similar difficulty also exists in the structure analysis of nanomaterials. In the workshop, new approaches to the structural analysis on these materials were discussed. This report includes abstracts and materials of the presentations in the workshop. (author)

  13. 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.

  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

    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-interlayers and the...... reinforcement are incorporated. In the model, the glass parts are allowed to crack, but all other parts are assumed linear elastic throughout the analyses. By changing the shear modulus of the SG-interlayer in multiple analyses, its contribution to the overall structural performance of the beams – especially 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 the...

  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. 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.

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

    International Nuclear Information System (INIS)

    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)

  18. 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)

  19. Incorporating Soil-Structure Interaction intoSeismic Response Analyses for Buildings

    OpenAIRE

    Stewart, Jonathan P.; Mylonakis, George; Givens, Michael J; Crouse, CB; Hutchinson, Tara; Lizundia, Bret; Naeim, Farzad; Ostadan, Farhang; Heintz, Jon A

    2014-01-01

    Soil-structure interaction (SSI) analysis evaluates the collective response anddynamic interplay of three linked systems: the structure, the foundation, and the soil underlying and surrounding the foundation. Problems associated with practical application of SSI for building structures are rooted in a poor understanding of fundamental SSI principles. Implementation in practice is hindered by a literature that is difficult to understand, and codes and standards that contain limited guidance an...

  20. Using Regression Analyses For the Determination of Protein Structure From FTIR Spectra

    OpenAIRE

    Wilcox, Kieaibi

    2014-01-01

    One of the challenges in the structural biological community is processing the wealth of protein data being produced today; therefore, the use of computational tools has been incorporated to speed up and help understand the structures of proteins, hence the functions of proteins. In this thesis, protein structure investigations were made through the use of Multivariate Analysis (MVA), and Fourier Transformed Infrared (FTIR), a form of vibrational spectroscopy. FTIR has been shown to identify...

  1. Study of parameters important to soil-structure interaction in seismic analyses of nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, T.A.

    1983-12-01

    The development of state-of-the-art techniques for analyzing the effects of soil-structure interaction (SSI) on structures during earthquakes is outlined. Emphasis is placed on methods to account for energy dissipation as a result of both wave propagation away from the structure's foundation and hysteretic soil response. Solution techniques are grouped into two major types: substructure methods, which break the problem into a series of steps; and direct methods, which analyze the soil-structure model in one step. In addition to theoretical and historical development of SSI methodology, case studies are presented illustrating the application of these solution techniques. 94 references.

  2. Study of parameters important to soil-structure interaction in seismic analyses of nuclear power plants

    International Nuclear Information System (INIS)

    The development of state-of-the-art techniques for analyzing the effects of soil-structure interaction (SSI) on structures during earthquakes is outlined. Emphasis is placed on methods to account for energy dissipation as a result of both wave propagation away from the structure's foundation and hysteretic soil response. Solution techniques are grouped into two major types: substructure methods, which break the problem into a series of steps; and direct methods, which analyze the soil-structure model in one step. In addition to theoretical and historical development of SSI methodology, case studies are presented illustrating the application of these solution techniques. 94 references

  3. 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

    2014-02-01

    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

  4. 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.

  5. Analysing large scale structure: II. Testing for primordial non-Gaussianity in CMB maps using surrogates

    CERN Document Server

    Raeth, C

    2003-01-01

    The identification of non-Gaussian signatures in cosmic microwave background (CMB) temperature maps is one of the main cosmological challenges today. We propose and investigate altenative methods to analyse CMB maps. Using the technique of constrained randomisation we construct surrogate maps which mimic both the power spectrum and the amplitude distribution of simulated CMB maps containing non-Gaussian signals. Analysing the maps with weighted scaling indices and Minkowski functionals yield in both cases statistically significant identification of the primordial non-Gaussianities. We demonstrate that the method is very robust with respect to noise. We also show that Minkowski functionals are able to account for non-linearities at higher noise level when applied in combination with surrogates than when only applied to noise added CMB maps and phase randomised versions of them, which only reproduce the power spectrum.

  6. 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

  7. 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 is...... and different designs of the ribs regarding the energy contained within the panel strip. The paper presents an analysis of vibrational energy transmission for an isotropic periodic panel strip excited by a concentrated force. The computations are carried out in frequency domain in the range below 2 kHz....

  8. Spectral Graph Analyses of Water Hydrogen-Bonding Network and Osmolyte Aggregate Structures in Osmolyte-Water Solutions.

    Science.gov (United States)

    Lee, Hochan; Choi, Jun-Ho; Verma, Pramod Kumar; Cho, Minhaeng

    2015-11-12

    Recently, it was shown that the spectral graph theory is exceptionally useful for understanding not only morphological structural differences in ion aggregates but also similarities between an ion network and a water H-bonding network in highly concentrated salt solutions. Here, we present spectral graph analysis results on osmolyte aggregates and water H-bonding network structures in aqueous renal osmolyte solutions. The quantitative analyses of the adjacency matrices that are graph-theoretical representations of aggregates of osmolyte molecules and water H-bond structures provide the ensemble average eigenvalue spectra and degree distribution. We show that urea molecules form quite different morphological structures compared to other protecting renal osmolyte molecules in water, particularly sorbitol and trimethylglycine, which are well-known protecting osmolytes, and at high concentrations exhibit a strong propensity to form morphological structures that are graph-theoretically similar to that of the water H-bond network. Conversely, urea molecules, even at similarly high concentrations, form separated clusters instead of extended osmolyte-osmolyte networks. This difference in morphological structure of osmolyte-osmolyte aggregates between protecting and destabilizing osmolytes is considered to be an important observation that led us to propose a hypothesis on the osmolyte aggregate growth mechanism via either osmolyte network formation or segregated osmolyte cluster formation. We anticipate that the present spectral graph analyses of osmolyte aggregate structures and their interplay with the water H-bond network structure in highly concentrated renal osmolyte solutions could provide important information on the osmolyte effects of not only water structures but also protein stability in biologically relevant osmolyte solutions. PMID:26473387

  9. Microsatellite analyses of blacktip reef sharks (Carcharhinus melanopterus) in a fragmented environment show structured clusters.

    Science.gov (United States)

    Vignaud, Thomas; Clua, Eric; Mourier, Johann; Maynard, Jeffrey; Planes, Serge

    2013-01-01

    The population dynamics of shark species are generally poorly described because highly mobile marine life is challenging to investigate. Here we investigate the genetic population structure of the blacktip reef shark (Carcharhinus melanopterus) in French Polynesia. Five demes were sampled from five islands with different inter-island distances (50-1500 km). Whether dispersal occurs between islands frequently enough to prevent moderate genetic structure is unknown. We used 11 microsatellites loci from 165 individuals and a strong genetic structure was found among demes with both F-statistics and Bayesian approaches. This differentiation is correlated with the geographic distance between islands. It is likely that the genetic structure seen is the result of all or some combination of the following: low gene flow, time since divergence, small effective population sizes, and the standard issues with the extent to which mutation models actually fit reality. We suggest low levels of gene flow as at least a partial explanation of the level of genetic structure seen among the sampled blacktip demes. This explanation is consistent with the ecological traits of blacktip reef sharks, and that the suitable habitat for blacktips in French Polynesia is highly fragmented. Evidence for spatial genetic structure of the blacktip demes we studied highlights that similar species may have populations with as yet undetected or underestimated structure. Shark biology and the market for their fins make them highly vulnerable and many species are in rapid decline. Our results add weight to the case that total bans on shark fishing are a better conservation approach for sharks than marine protected area networks. PMID:23585872

  10. Microsatellite analyses of blacktip reef sharks (Carcharhinus melanopterus in a fragmented environment show structured clusters.

    Directory of Open Access Journals (Sweden)

    Thomas Vignaud

    Full Text Available The population dynamics of shark species are generally poorly described because highly mobile marine life is challenging to investigate. Here we investigate the genetic population structure of the blacktip reef shark (Carcharhinus melanopterus in French Polynesia. Five demes were sampled from five islands with different inter-island distances (50-1500 km. Whether dispersal occurs between islands frequently enough to prevent moderate genetic structure is unknown. We used 11 microsatellites loci from 165 individuals and a strong genetic structure was found among demes with both F-statistics and Bayesian approaches. This differentiation is correlated with the geographic distance between islands. It is likely that the genetic structure seen is the result of all or some combination of the following: low gene flow, time since divergence, small effective population sizes, and the standard issues with the extent to which mutation models actually fit reality. We suggest low levels of gene flow as at least a partial explanation of the level of genetic structure seen among the sampled blacktip demes. This explanation is consistent with the ecological traits of blacktip reef sharks, and that the suitable habitat for blacktips in French Polynesia is highly fragmented. Evidence for spatial genetic structure of the blacktip demes we studied highlights that similar species may have populations with as yet undetected or underestimated structure. Shark biology and the market for their fins make them highly vulnerable and many species are in rapid decline. Our results add weight to the case that total bans on shark fishing are a better conservation approach for sharks than marine protected area networks.

  11. On welding residual stresses and their practical inclusion in structural integrity analyses

    International Nuclear Information System (INIS)

    The study concerns welding process induced residual stress distributions in Nuclear Power Plant (NPP) reactor circuit component welds. The weld residual stress distributions are calculated for representative small, medium and large NPP reactor circuit pipe sizes in Finnish Boiling Water Reactor (BWR) NPP units. For these three pipe sizes, weld residual stress distributions through wall are calculated for both ferritic steels and austenitic Stainless Steels (SSs) in both perpendicular and parallel to weld directions. The covered weld conditions in the calculations are as-welded state, and after PWHT. The temperature is set to operational temperature of slightly below 300 deg C in Finnish BWR NPP units. Then, SCC analyses are carried out using thus obtained weld residual stresses as well as stresses caused by other static system loads to circumferential inner surface crack postulates with fracture mechanics based analysis code VTTBESIT, developed partly at VTT. Analysis results are compared, and conclusions based on them drawn. Also, some recommendations concerning the use of the above mentioned weld residual stress definition procedures are given. Finally, numerical analyses concerning the behaviour of weld residual stresses in the course of several decades of time in plant operation and notable future research aspects are discussed

  12. Structural and physiological analyses in Salsoleae (Chenopodiaceae) indicate multiple transitions among C3, intermediate, and C4 photosynthesis

    OpenAIRE

    Voznesenskaya, Elena V.; Koteyeva, Nuria K.; Akhani, Hossein; Roalson, Eric H; Edwards, Gerald E.

    2013-01-01

    In subfamily Salsoloideae (family Chenopodiaceae) most species are C4 plants having terete leaves with Salsoloid Kranz anatomy characterized by a continuous dual chlorenchyma layer of Kranz cells (KCs) and mesophyll (M) cells, surrounding water storage and vascular tissue. From section Coccosalsola sensu Botschantzev, leaf structural and photosynthetic features were analysed on selected species of Salsola which are not performing C4 based on leaf carbon isotope composition. The results infer ...

  13. Study of parameters important to soil-structure interaction in seismic analyses of nuclear power plants

    International Nuclear Information System (INIS)

    The development of state-of-the-art techniques for analyzing the effects of soil-structure interaction (SSI) on structures during earthquakes is outline. Emphasis is placed on methods to account for energy dissipation as a result of both wave propagation away from the structure's foundation and hysteretic soil response. Solution techniques are grouped into two major types: substructure methods, which break the problem into series of steps; and direct methods, which analyze the soil-structure model in one step. In addition to theoretical and historical development of SSI methodology, case studies are presented illustrating the application of these solution techniques. The case studies are designed to quantify the effects of parameters important to the response of nuclear power plant containment structures. Studies in the following areas are presented: 1) effects of foundation embedment; 2) composite modal damping; 3) effects of radiation damping; 4) fixed base assumption for foundation on rock; and 5) comparison of a substructure technique to a direct technique

  14. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

    2015-11-07

    Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

  15. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

    Science.gov (United States)

    Hyeon-Deuk, Kim; Ando, Koji

    2015-11-01

    Nuclear quantum effects play a dominant role in determining the phase diagram of H2. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H2 under vapor pressure, demonstrating the difference from liquid and high-pressure solid H2. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H2 molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H-H vibrational frequencies as well as H-H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H2 solid will be useful in monitoring thermodynamic states of condensed hydrogens.

  16. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

    International Nuclear Information System (INIS)

    Nuclear quantum effects play a dominant role in determining the phase diagram of H2. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H2 under vapor pressure, demonstrating the difference from liquid and high-pressure solid H2. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H2 molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H2 solid will be useful in monitoring thermodynamic states of condensed hydrogens

  17. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure.

    Science.gov (United States)

    Hyeon-Deuk, Kim; Ando, Koji

    2015-11-01

    Nuclear quantum effects play a dominant role in determining the phase diagram of H2. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H2 under vapor pressure, demonstrating the difference from liquid and high-pressure solid H2. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H2 molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H-H vibrational frequencies as well as H-H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H2 solid will be useful in monitoring thermodynamic states of condensed hydrogens. PMID:26547150

  18. β-Bulges: extensive structural analyses of β-sheets irregularities.

    Science.gov (United States)

    Craveur, Pierrick; Joseph, Agnel Praveen; Rebehmed, Joseph; de Brevern, Alexandre G

    2013-10-01

    β-Sheets are quite frequent in protein structures and are stabilized by regular main-chain hydrogen bond patterns. Irregularities in β-sheets, named β-bulges, are distorted regions between two consecutive hydrogen bonds. They disrupt the classical alternation of side chain direction and can alter the directionality of β-strands. They are implicated in protein-protein interactions and are introduced to avoid β-strand aggregation. Five different types of β-bulges are defined. Previous studies on β-bulges were performed on a limited number of protein structures or one specific family. These studies evoked a potential conservation during evolution. In this work, we analyze the β-bulge distribution and conservation in terms of local backbone conformations and amino acid composition. Our dataset consists of 66 times more β-bulges than the last systematic study (Chan et al. Protein Science 1993, 2:1574-1590). Novel amino acid preferences are underlined and local structure conformations are highlighted by the use of a structural alphabet. We observed that β-bulges are preferably localized at the N- and C-termini of β-strands, but contrary to the earlier studies, no significant conservation of β-bulges was observed among structural homologues. Displacement of β-bulges along the sequence was also investigated by Molecular Dynamics simulations. PMID:23904395

  19. Advanced multi-dimensional method for structural and hydrodynamic analyses of LMFBR piping systems

    International Nuclear Information System (INIS)

    Maintaining the structural integrity of the piping system of Liquid Metal Fast Breeder Reactors (LMFBRs) is essential to the safe operation of the reactor and steam supply systems. In the safety analysis various transient loads can be imposed on the piping systems, which may pose threats to the integrity of the piping structure. These transient loads can be classified into two categories. The first represents dynamic loads resulting from the hydrodynamic pressure-wave propagation or seismic events. The second represents static or quasi-dynamic loads generated by thermal wave propagation, normal operation transient, or creep phenomena. At Argonne National Laboratory, a multi-dimensional method has been developed for the integrated analysis of piping systems under these transient loading conditions. It utilizes a 2-D implicit finite-difference hydrodynamics in conjunction with a 3-D explicit finite-element structural analysis

  20. Precise structural and functional analyses of cytochrome c' revealed by quantum beams and other multiple methods

    International Nuclear Information System (INIS)

    Cytochrome c' (cyt c') is a hemeprotein found in some proteobacteria. It contains a 5-coordinate (5c) His-ligated heme (heme c). Interestingly, NO is bound to the proximal side of the ferrous heme replacing the endogenous His ligand: the 5th ligand His flips away. In a previously reported crystal structure of the NO-bound cyt c', the electron density for the putative NO was in ''Y'' shape and NO was modeled in two alternative bent conformations. We have suspected this ambiguous structure, and we planned to determine the crystal structures of cyt c' in several states by ourselves and to elucidate the NO binding properties and mechanism by using multiple methods. (author)

  1. Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis.

    Science.gov (United States)

    Wang, Xue-Ping; Jiang, Yong-Liang; Dai, Ya-Nan; Cheng, Wang; Chen, Yuxing; Zhou, Cong-Zhao

    2016-05-01

    Formation of the heterocyst envelope polysaccharide (HEP) is a key process for cyanobacterial heterocyst differentiation. The maturation of HEP inAnabaenasp. strain PCC 7120 is controlled by a gene cluster termed HEP island in addition to an operonalr3698-alr3699, which encodes two putative proteins termed Alr3698/HepD and Alr3699/HepE. Here we report the crystal structures of HepE in the apo-form and three complex forms that bind to UDP-glucose (UDPG), UDP&glucose, and UDP, respectively. The overall structure of HepE displays a typical GT-B fold of glycosyltransferases, comprising two separate β/α/β Rossmann-fold domains that form an inter-domain substrate-binding crevice. Structural analyses combined with enzymatic assays indicate that HepE is a glucosyltransferase using UDPG as a sugar donor. Further site-directed mutageneses enable us to assign the key residues that stabilize the sugar donor and putative acceptor. Based on the comparative structural analyses, we propose a putative catalytic cycle of HepE, which undergoes "open-closed-open" conformational changes upon binding to the substrates and release of products. These findings provide structural and catalytic insights into the first enzyme involved in the HEP biosynthesis pathway. PMID:26692049

  2. Interaction sol-structure non-linéaire en analyse sismique

    OpenAIRE

    Nieto Ferro, Alex

    2013-01-01

    Ce travail détaille une approche de calcul pour la résolution de problèmes dynamiques qui combinent des discrétisations en temps et dans le domaine de Laplace reposant sur une technique de sous-structuration. En particulier, la méthode développée cherche à remplir le besoin industriel de réaliser des calculs dynamiques tridimensionnels pour le risque sismique en prenant en compte des effets non-linéaires d'interaction sol-structure (ISS). Deux sous-domaines sont considérés dans ce problème. D...

  3. Application of energy prinicples in modal analyses of earthquake effects on structures

    International Nuclear Information System (INIS)

    The differential equations of the governing deflections of arbitrary structures due to earthquake excitations are derived using general energy principles. Then the equations are solved on the basis of the modal-superposition method. General formulae are given for the modal seismic loads, deflections and internal forces. With practical applications the acceleration-response spectra are given in the aseismic-design codes of most countries should be used. Both systems with a discrete mass distribution and systems with a distributed mass are dealt with. On the basis of the general formulations developed even complicated structures can relatively simply be analyzed taking into account their spatial response properties. (orig.)

  4. The Relationship between a Firm’s Value and Ownership Structure in Kuwait: Simultaneous Analyses Approach

    OpenAIRE

    Mejbel Al-Saidi; Bader Al-Shammari

    2014-01-01

    The study examined the impact of ownership structure on the value of listed firms in Kuwait using endogeneity theory as an analytical framework. Ownership structure was measured in terms of ownership concentration (percentage of shares owned by all top shareholders), while measures of value were Tobin’s Q and Return on Assets. In the study, we used panel data for 121 firms listed on the Kuwait Stock Exchange (KSE) from 2010 to 2012, and we specified a model that used simultaneous equations wi...

  5. Postconcussion Postural Sway Variability Changes in Youth: The Benefit of Structural Variability Analyses

    Science.gov (United States)

    Quatman-Yates, Catherine C.; Bonnette, Scott; Hugentobler, Jason A.; Médé, Butovens; Kiefer, Adam W.; Kurowski, Brad G.; Riley, Michael A.

    2016-01-01

    Purpose The purpose of this study was to evaluate the utility of postural sway variability as a potential assessment to detect altered postural sway in youth with symptoms related to a concussion. Methods Forty participants (20 who were healthy and 20 who were injured) aged 10 to 16 years were assessed using the Balance Error Scoring System (BESS) and postural sway variability analyses applied to center-of-pressure data captured using a force plate. Results Significant differences were observed between the 2 groups for postural sway variability metrics but not for the BESS. Specifically, path length was shorter and Sample and Renyi Entropies were more regular for the participants who were injured compared with the participants who were healthy (P < .05). Conclusion The results of this study indicate that postural sway variability may be a more valid measure than the BESS to detect postconcussion alterations in postural control in young athletes. PMID:26397071

  6. Coupling equivalent plate and finite element formulations in multiple-method structural analyses

    Science.gov (United States)

    Giles, Gary L.; Norwood, Keith

    1994-01-01

    A coupled multiple-method analysis procedure for use late in conceptual design or early in preliminary design of aircraft structures is described. Using this method, aircraft wing structures are represented with equivalent plate models, and structural details such as engine/pylon structure, landing gear, or a 'stick' model of a fuselage are represented with beam finite element models. These two analysis methods are implemented in an integrated multiple-method formulation that involves the assembly and solution of a combined set of linear equations. The corresponding solution vector contains coefficients of the polynomials that describe the deflection of the wing and also the components of translations and rotations at the joints of the beam members. Two alternative approaches for coupling the methods are investigated; one using transition finite elements and the other using Lagrange multipliers. The coupled formulation is applied to the static analysis and vibration analysis of a conceptual design model of a fighter aircraft. The results from the coupled method are compared with corresponding results from an analysis in which the entire model is composed of finite elements.

  7. 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...

  8. Revisiting the Latent Structure of Eating Disorders: Taxometric Analyses with Nonbehavioral Indicators

    Science.gov (United States)

    Tylka, Tracy L.; Subich, Linda Mezydlo

    2003-01-01

    Researchers have debated whether clinical eating disorders are best conceptualized as one extreme along a continuum of degree or as qualitatively different from less severe eating disturbances. Taxometric analysis, a set of procedures that assess the structure of a given disorder by detecting whether a latent taxon exists among its indicators, has…

  9. 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

  10. 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.

  11. Confirmatory analyses of componential test structure using multidimensional item response theory

    OpenAIRE

    Janssen, Rianne; De Boeck, Paul

    1999-01-01

    The componential structure of synonym tasks is investigated using confirmatory multidimensional two-parameter IRT models. It was hypothesized that an open synonym task is decomposable into generating synonym candidates and evaluating these candidate words with respect to their synonymy with the stimulus word. Two subtasks were constructed to identify these two components. Different confirmatory models were estimated both with TESTMAP and with NOHARM. The componential hypothesis was supported,...

  12. A systematic method for analysing the protein hydration structure of T4 lysozyme

    Czech Academy of Sciences Publication Activity Database

    Kysilka, Jiří; Vondrášek, Jiří

    2013-01-01

    Roč. 26, č. 10 (2013), s. 479-487. ISSN 0952-3499 R&D Projects: GA ČR GAP208/10/0725; GA MŠk(CZ) LH11020 Grant ostatní: GA ČR(CZ) GAP302/10/0427 Institutional support: RVO:61388963 Keywords : protein hydration structure * water * X-ray crystallography * cluster algorithm * interaction enthalpy Subject RIV: CE - Biochemistry Impact factor: 2.337, year: 2013

  13. Analysing Linkages between Strategy, Performance, Management Structure and Culture in the Spanish Fresh Produce Industry

    OpenAIRE

    Garcia Martinez, Marian; Poole, Nigel

    2004-01-01

    This article reports the results of an industry-level study that seeks to identify empirical regularities between firm stra tegy, management style, organisational structure and performance in the Span ish fresh fruit and vegetable (fresh produce) industry using strategic group analysis. Groups were formed from key dimensions reflecting firms’ strategic orientations. Performance levels did not differ systematically between strategic groups, but performance was found ...

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

    OpenAIRE

    Ang Teck; Ngoh Gek; Chua Adeline Seak; Lee Min

    2012-01-01

    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 att...

  15. Four New Capabilities in NASTRAN for Dynamic and Aeroelastic Analyses of Rotating Cyclic Structures

    Science.gov (United States)

    Elchuri, V.; Gallo, A. M.

    1984-01-01

    Static aerothermoelastic design/analysis of axial-flow compressors, modal flutter analysis of axial-flow turbomachines, forced vibration analysis of rotating cyclic structures and modal flutter analysis of advanced turbopropellers with highly swept blades are four new capabilities developed and implemented in NASTRAN Level 17.7. The contents, applicability and usefulness of these capabilities which were developed and documented under the sponsorship of NASA's Lewis Research Center are discussed. Overall flowcharts and selected examples are presented.

  16. Structural Analyses of the Ankyrin Repeat Domain of TRPV6 and Related TRPV Ion Channels

    Energy Technology Data Exchange (ETDEWEB)

    Phelps, C.B.; Huang, R.J.; Lishko, P.V.; Wang, R.R.; Gaudet, R. (Harvard)

    2008-06-03

    Transient receptor potential (TRP) proteins are cation channels composed of a transmembrane domain flanked by large N- and C-terminal cytoplasmic domains. All members of the vanilloid family of TRP channels (TRPV) possess an N-terminal ankyrin repeat domain (ARD). The ARD of mammalian TRPV6, an important regulator of calcium uptake and homeostasis, is essential for channel assembly and regulation. The 1.7 A crystal structure of the TRPV6-ARD reveals conserved structural elements unique to the ARDs of TRPV proteins. First, a large twist between the fourth and fifth repeats is induced by residues conserved in all TRPV ARDs. Second, the third finger loop is the most variable region in sequence, length and conformation. In TRPV6, a number of putative regulatory phosphorylation sites map to the base of this third finger. Size exclusion chromatography and crystal packing indicate that the TRPV6-ARD does not assemble as a tetramer and is monomeric in solution. Adenosine triphosphate-agarose and calmodulin-agarose pull-down assays show that the TRPV6-ARD does not interact with either ligand, indicating a different functional role for the TRPV6-ARD than in the paralogous thermosensitive TRPV1 channel. Similar biochemical findings are also presented for the highly homologous mammalian TRPV5-ARD. The implications of the structural and biochemical data on the role of the ankyrin repeats in different TRPV channels are discussed.

  17. 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.

  18. A methodology for analysing lateral coupled behavior of high speed railway vehicles and structures

    International Nuclear Information System (INIS)

    Continuous increment of the speed of high speed trains entails the increment of kinetic energy of the trains. The main goal of this article is to study the coupled lateral behavior of vehicle-structure systems for high speed trains. Non linear finite element methods are used for structures whereas multibody dynamics methods are employed for vehicles. Special attention must be paid when dealing with contact rolling constraints for coupling bridge decks and train wheels. The dynamic models must include mixed variables (displacements and creepages). Additionally special attention must be paid to the contact algorithms adequate to wheel-rail contact. The coupled vehicle-structure system is studied in a implicit dynamic framework. Due to the presence of very different systems (trains and bridges), different frequencies are involved in the problem leading to stiff systems. Regarding to contact methods, a main branch is studied in normal contact between train wheels and bridge decks: penalty method. According to tangential contact FastSim algorithm solves the tangential contact at each time step solving a differential equation involving relative displacements and creepage variables. Integration for computing the total forces in the contact ellipse domain is performed for each train wheel and each solver iteration. Coupling between trains and bridges requires a special treatment according to the kinetic constraints imposed in the wheel-rail pair and the load transmission. A numerical example is performed.

  19. 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.

  20. 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.

  1. Anatomical variations of trabecular bone structure in intraoral radiographs using fractal and particles count analyses

    International Nuclear Information System (INIS)

    This study was performed to evaluate possible variations in maxillary and mandibular bone texture of normal population using the fractal analysis, particles count, and area fraction in intraoral radiographs. Periapical radiographs of patients who had full mouth intraoral radiographs were collected. Regions of interest (100X100 pixels) were located between the teeth of the maxillary anterior, premolar, and molar area, as well as the mandibular anterior, premolar, and molar areas. The fractal dimension (FD) was calculated by using the box counting method. The particle count (PC) and area fraction (AF) analyses were also performed. There was no significant difference in the FD values among the different groups of age, gender, upper, and lower jaws. The mean FD value was 1.49±0.01. The mean PC ranged from 44 to 54, and the mean AF ranged from 10.92 to 11.85. The values of FD, PC, and AF were significantly correlated with each other except for the upper molar area. According to the results, patients with normal trabecular pattern showed a FD of approximately 1.5. Based on these results, further investigation would be recommended if the FD value of patient significantly different from this number, since the alteration of this value indicates microstructural modification of trabecular pattern of the jaws. Additionally, with periapical radiographs, simple and cost-effective, PC and AF could be used to assess the deviation from the normal.

  2. 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. PMID:10053222

  3. Anatomical variations of trabecular bone structure in intraoral radiographs using fractal and particles count analyses

    Energy Technology Data Exchange (ETDEWEB)

    Amer, Maha Eshak [Faculty of Dentistry, Minia University, El Menia (Egypt); Heo, Min Suk [School of Dentistry, Seoul National University, Seoul (Korea, Republic of); Brooks, Sharon L; Benavides, Erika [School of Dentistry, University of Michigan, Ann Arbor (United States)

    2012-03-15

    This study was performed to evaluate possible variations in maxillary and mandibular bone texture of normal population using the fractal analysis, particles count, and area fraction in intraoral radiographs. Periapical radiographs of patients who had full mouth intraoral radiographs were collected. Regions of interest (100X100 pixels) were located between the teeth of the maxillary anterior, premolar, and molar area, as well as the mandibular anterior, premolar, and molar areas. The fractal dimension (FD) was calculated by using the box counting method. The particle count (PC) and area fraction (AF) analyses were also performed. There was no significant difference in the FD values among the different groups of age, gender, upper, and lower jaws. The mean FD value was 1.49{+-}0.01. The mean PC ranged from 44 to 54, and the mean AF ranged from 10.92 to 11.85. The values of FD, PC, and AF were significantly correlated with each other except for the upper molar area. According to the results, patients with normal trabecular pattern showed a FD of approximately 1.5. Based on these results, further investigation would be recommended if the FD value of patient significantly different from this number, since the alteration of this value indicates microstructural modification of trabecular pattern of the jaws. Additionally, with periapical radiographs, simple and cost-effective, PC and AF could be used to assess the deviation from the normal.

  4. Whole brain expression of bipolar disorder associated genes: structural and genetic analyses.

    Directory of Open Access Journals (Sweden)

    Michael J McCarthy

    Full Text Available Studies of bipolar disorder (BD suggest a genetic basis of the illness that alters brain function and morphology. In recent years, a number of genetic variants associated with BD have been identified. However, little is known about the associated genes, or brain circuits that rely upon their function. Using an anatomically comprehensive survey of the human transcriptome (The Allen Brain Atlas, we mapped the expression of 58 genes with suspected involvement in BD based upon their relationship to SNPs identified in genome wide association studies (GWAS. We then conducted a meta-analysis of structural MRI studies to identify brain regions that are abnormal in BD. Of 58 BD associated genes, 22 had anatomically distinct expression patterns that could be categorized into one of three clusters (C1-C3. Brain regions with the highest and lowest expression of these genes did not overlap strongly with anatomical sites identified as abnormal by structural MRI except in the parahippocampal gyrus, the inferior/superior temporal gyrus and the cerebellar vermis, regions where overlap was significant. Using the 22 genes in C1-C3 as reference points, additional genes with correlated expression patterns were identified and organized into sets based on similarity. Further analysis revealed that five of these gene sets were significantly associated with BD, suggesting that anatomical expression profile is correlated with genetic susceptibility to BD, particularly for genes in C2. Our data suggest that expression profiles of BD-associated genes do not explain the majority of structural abnormalities observed in BD, but may be useful in identifying new candidate genes. Our results highlight the complex neuroanatomical basis of BD, and reinforce illness models that emphasize impaired brain connectivity.

  5. Seismic fragility analyses of nuclear power plant structures based on the recorded earthquake data in Korea

    International Nuclear Information System (INIS)

    This paper briefly introduces an improved method for evaluating seismic fragilities of components of nuclear power plants in Korea. Engineering characteristics of small magnitude earthquake spectra recorded in the Korean peninsula during the last several years are also discussed in this paper. For the purpose of evaluating the effects of the recorded earthquake on the seismic fragilities of Korean nuclear power plant structures, several cases of comparative studies have been performed. The study results show that seismic fragility analysis based on the Newmark's spectra in Korea might over-estimate the seismic capacities of Korean facilities. (author)

  6. Analysing the Geothermal Project Life Cycle by Using the Design Structure Matrix

    OpenAIRE

    Witt, Magnus de 1988-

    2015-01-01

    This thesis reviews whether the project life cycle of a geothermal power project in Iceland could be mapped and represented in a common way. Is there any space for improving the project life cycle and is the design structure matrix (DSM) an appropriate tool for it? The basis of this study is the general project life cycle theory combined with the theory of economic clusters; the DSM theory is used for this. The cluster gives the geothermal field in Iceland a competitive advantage and the life...

  7. 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 available...... for research purposes at http://www.bdporc.irta.es/estudis.jsp. The main feature of the program is to compute Monte Carlo estimates of marginal posterior distributions of parameters of interest. The program is quite flexible, allowing the user to fit a variety of linear models at the level of the mean...

  8. 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 ...

  9. 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. PMID:26992795

  10. Pathogenesis of dilated cardiomyopathy: molecular, structural, and population analyses in tropomodulin-overexpressing transgenic mice.

    Science.gov (United States)

    Sussman, M A; Welch, S; Gude, N; Khoury, P R; Daniels, S R; Kirkpatrick, D; Walsh, R A; Price, R L; Lim, H W; Molkentin, J D

    1999-12-01

    Dilated cardiomyopathy is characterized by decreased contractile function and loss of myofibril organization. Previously unexplored structural and molecular events that precede and initiate dilation can now be studied in tropomodulin-overexpressing transgenic (TOT) mice exhibiting progressive dilated cardiomyopathy. Onset of dilation did not correspond to a change in transgene expression levels, which were more than threefold above normal at birth and remained elevated throughout postnatal life. Similarly, mitogen-activated protein kinase activation (p38, ERK1/ERK2, JNK1/JNK2) was not associated with dilation. In contrast, calcineurin was activated before dilation, presumably due to doubling of intracellular diastolic calcium levels in TOT cardiomyocytes. Amplitude of systolic calcium transients was greatly increased as well, demonstrating the novel and unique calcium handling profile of TOT cardiomyocytes. Loss of myofibril organization was not apparent by confocal microscopy until over 1 week after birth, although neonatal sarcomeric abnormalities were revealed by ultrastructural analysis. Rapid postnatal increases in heart:body weight ratio at 1.5 weeks were followed by two waves of mortality between 2 and 3 weeks after birth coincident with maturational stress. Ultimately, TOT pathogenesis is a compensatory response to altered sarcomeric structure driven by calcineurin activation within days after birth, making TOTs an excellent paradigm for studying the role of calcium overload in dilated cardiomyopathy. PMID:10595939

  11. 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].

  12. 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...

  13. Structural and Functional Analyses of the Severe Acute Respiratory Syndrome Coronavirus Endoribonuclease Nsp15

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Kanchan; Palaninathan, Satheesh; Alcantara, Joanna Maria Ortiz; Yi, Lillian Li; Guarino, Linda; Sacchettini, James C.; Kao, C. Cheng (TAM)

    2008-03-31

    The severe acute respiratory syndrome (SARS) coronavirus encodes several RNA-processing enzymes that are unusual for RNA viruses, including Nsp15 (nonstructural protein 15), a hexameric endoribonuclease that preferentially cleaves 3' of uridines. We solved the structure of a catalytically inactive mutant version of Nsp15, which was crystallized as a hexamer. The structure contains unreported flexibility in the active site of each subunit. Substitutions in the active site residues serine 293 and proline 343 allowed Nsp15 to cleave at cytidylate, whereas mutation of leucine 345 rendered Nsp15 able to cleave at purines as well as pyrimidines. Mutations that targeted the residues involved in subunit interactions generally resulted in the formation of catalytically inactive monomers. The RNA-binding residues were mapped by a method linking reversible cross-linking, RNA affinity purification, and peptide fingerprinting. Alanine substitution of several residues in the RNA-contacting portion of Nsp15 did not affect hexamer formation but decreased the affinity of RNA binding and reduced endonuclease activity. This suggests a model for Nsp15 hexamer interaction with RNA.

  14. 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.

  15. Using 3D fluid-structure interaction model to analyse the biomechanical properties of erythrocyte

    Energy Technology Data Exchange (ETDEWEB)

    Chee, C.Y. [Institute of High Performance Computing, 1 Science Park Road, Capricorn S117528 (Singapore)], E-mail: cheecy@ihpc.a-star.edu.sg; Lee, H.P. [Institute of High Performance Computing, 1 Science Park Road, Capricorn S117528 (Singapore); Department of Mechanical Engineering, National University of Singapore, Singapore 119260 (Singapore); Lu, C. [Institute of High Performance Computing, 1 Science Park Road, Capricorn S117528 (Singapore)

    2008-02-25

    This Letter presents a newly developed three-dimensional fluid-structure interaction model of the red blood cell (RBC). The model consists of a deformable liquid capsule modelled as Newtonian fluid enclosed by a hyperelastic membrane with viscoelastic property. Numerical results show that viscosity in the cytoplasm affects the deformed shape of RBC under loading. This observation is contrary to the earlier belief that viscosity of the cytoplasm can be neglected. Numerical simulations carried out to investigate large deformation induced on the RBC model using direct tensile forces show significant improvement in terms of correlation with experimental results. The membrane shear modulus estimated from the model ranges between 3.7 to 9.0 {mu}Nm{sup -1} compares well with results obtained from micropipette aspiration experiments.

  16. Microbial community structure in autotrophic nitrifying granules characterized by experimental and simulation analyses

    DEFF Research Database (Denmark)

    Matsumoto, S.; Katoku, M.; Saeki, G.;

    2010-01-01

    the bacterial distribution obtained by fluorescence in situ hybridization analysis, as well as the measured oxygen, nitrite, nitrate and ammonium concentration profiles. Results of this study are important because they show that a combination of simulation and experimental techniques can better......This study evaluates the community structure in nitrifying granules (average diameter of 1600 mu m) produced in an aerobic reactor fed with ammonia as the sole energy source by a multivalent approach combining molecular techniques, microelectrode measurements and mathematical modelling...... groups also became evident from a 16S rRNA clone library. Microprofiles of NH4+, NO2-, NO3- and O-2 concentrations measured with microelectrodes showed good agreement with the spatial organization of nitrifying bacteria. One- and two-dimensional numerical biofilm models were constructed to explain the...

  17. 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.

  18. 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.

  19. Efficient simulation of press hardening process through integrated structural and CFD analyses

    Science.gov (United States)

    Palaniswamy, Hariharasudhan; Mondalek, Pamela; Wronski, Maciek; Roy, Subir

    2013-12-01

    Press hardened steel parts are being increasingly used in automotive structures for their higher strength to meet safety standards while reducing vehicle weight to improve fuel consumption. However, manufacturing of sheet metal parts by press hardening process to achieve desired properties is extremely challenging as it involves complex interaction of plastic deformation, metallurgical change, thermal distribution, and fluid flow. Numerical simulation is critical for successful design of the process and to understand the interaction among the numerous process parameters to control the press hardening process in order to consistently achieve desired part properties. Until now there has been no integrated commercial software solution that can efficiently model the complete process from forming of the blank, heat transfer between the blank and tool, microstructure evolution in the blank, heat loss from tool to the fluid that flows through water channels in the tools. In this study, a numerical solution based on Altair HyperWorks® product suite involving RADIOSS®, a non-linear finite element based structural analysis solver and AcuSolve®, an incompressible fluid flow solver based on Galerkin Least Square Finite Element Method have been utilized to develop an efficient solution for complete press hardening process design and analysis. RADIOSS is used to handle the plastic deformation, heat transfer between the blank and tool, and microstructure evolution in the blank during cooling. While AcuSolve is used to efficiently model heat loss from tool to the fluid that flows through water channels in the tools. The approach is demonstrated through some case studies.

  20. Efficient simulation of press hardening process through integrated structural and CFD analyses

    Energy Technology Data Exchange (ETDEWEB)

    Palaniswamy, Hariharasudhan [Altair, 1820 East Big Beaver Road, Troy, MI 48083 (United States); Mondalek, Pamela; Wronski, Maciek [Altair Development France, Sophia Antipolis Cedex 06903 (France); Roy, Subir [Altair, 1820 East Big Beaver Road, Troy, MI 48083 (France)

    2013-12-16

    Press hardened steel parts are being increasingly used in automotive structures for their higher strength to meet safety standards while reducing vehicle weight to improve fuel consumption. However, manufacturing of sheet metal parts by press hardening process to achieve desired properties is extremely challenging as it involves complex interaction of plastic deformation, metallurgical change, thermal distribution, and fluid flow. Numerical simulation is critical for successful design of the process and to understand the interaction among the numerous process parameters to control the press hardening process in order to consistently achieve desired part properties. Until now there has been no integrated commercial software solution that can efficiently model the complete process from forming of the blank, heat transfer between the blank and tool, microstructure evolution in the blank, heat loss from tool to the fluid that flows through water channels in the tools. In this study, a numerical solution based on Altair HyperWorks® product suite involving RADIOSS®, a non-linear finite element based structural analysis solver and AcuSolve®, an incompressible fluid flow solver based on Galerkin Least Square Finite Element Method have been utilized to develop an efficient solution for complete press hardening process design and analysis. RADIOSS is used to handle the plastic deformation, heat transfer between the blank and tool, and microstructure evolution in the blank during cooling. While AcuSolve is used to efficiently model heat loss from tool to the fluid that flows through water channels in the tools. The approach is demonstrated through some case studies.

  1. Mitochondrial population genomic analyses reveal population structure and demography of Indian Plasmodium falciparum.

    Science.gov (United States)

    Tyagi, Suchi; Das, Aparup

    2015-09-01

    Inference on the genetic diversity of Plasmodium falciparum populations could help in better management of malaria. A very recent study with mitochondrial (mt) genomes in global P. falciparum had revealed interesting evolutionary genetic patterns of Indian isolates in comparison to global ones. However, no population genetic study using the whole mt genome sequences of P. falciparum isolates collected in the entire distribution range in India has yet been performed. We herewith have analyzed 85 whole mt genomes (48 already published and 37 entirely new) sampled from eight differentially endemic Indian locations to estimate genetic diversity and infer population structure and historical demography of Indian P. falciparum. We found 19 novel Indian-specific Single Nucleotide Polymorphisms (SNPs) and 22 novel haplotypes segregating in Indian P. falciparum. Accordingly, high haplotype and nucleotide diversities were detected in Indian P. falciparum in comparison to many other global isolates. Indian P. falciparum populations were found to be moderately sub-structured with four different genetic clusters. Interestingly, group of local populations aggregate to form each cluster; while samples from Jharkhand and Odisha formed a single cluster, P. falciparum isolates from Asom formed an independent one. Similarly, Surat, Bilaspur and Betul formed a single cluster and Goa and Mangalore formed another. Interestingly, P. falciparum isolates from the two later populations were significantly genetically differentiated from isolates collected in other six Indian locations. Signature of historical population expansion was evident in five population samples, and the onset of expansion event was found to be very similar to African P. falciparum. In agreement with the previous finding, the estimated Time to Most Recent Common Ancestor (TMRCA) and the effective population size were high in Indian P. falciparum. All these genetic features of Indian P. falciparum with high mt genome

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

    Directory of Open Access Journals (Sweden)

    Mathieu Roux

    2011-08-01

    Full Text Available 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, related to a dynamical system, which is called a dynamical source. Our methods are close to analytic combinatorics, and our main object of interest is the generating function of the source Lambda(s, which is here of Dirichlet type. Such an object transforms probabilistic properties of the source into analytic properties. The tameness of the source, which is defined through analytic properties of Lambda(s, appears to be central in the analysis, and is precisely studied for the class of dynamical sources. We focus here on arithmetical conditions, of diophantine type, which are sufficient to imply tameness on a domain with hyperbolic shape.

  3. Analysing collimator structure effects in head-scatter calculations for IMRT class fields using scatter raytracing

    International Nuclear Information System (INIS)

    The frequent blocking of the irradiated volume in intensity modulated radiation therapy (IMRT) makes the head-scatter fraction of the incident photon fluence more significant than that in conventional therapy with open fields. On the other hand, certain collimator configurations block scatter photons directed to a given observation point while allowing primary photons to be transmitted. The 'anomalous blocking' makes the primary field a poor indicator of the scatter fluence. Since large MU-to-cGy ratios in IMRT can magnify head-scatter uncertainties, it becomes necessary to accurately model both the effective scatter source and the collimator structure that limits the scatter reaching the irradiated volume. First we obtain a dual-source model, using a Taylor series expansion to derive the effective scatter source distribution from the data measured for the Elekta SL20 linac equipped with a multi-leaf collimator (MLC). Then, using a raytracing algorithm, we calculate the transmission of scatter rays from the effective scatter source plane to points in the patient plane. The method can account for the anomalous blocking of scatter by the MLC leaves and the back-up diaphragms. For a variety of collimator settings tested, the calculations agree with measurements to an accuracy of 0.002Ψ10x10, where Ψ10x10 is the total (primary + scatter) photon fluence of an open 10x10 cm2 field for the same MU delivered. Although the significance of collimator structure in IMRT depends strongly on fields shapes employed for the delivery, potential cumulative errors on the order of a few per cent can be avoided in fluence calculations if the proposed method is used. (author)

  4. Analysing collimator structure effects in head-scatter calculations for IMRT class fields using scatter raytracing.

    Science.gov (United States)

    Naqvi, S A; Sarfaraz, M; Holmes, T; Yu, C X; Li, X A

    2001-07-01

    The frequent blocking of the irradiated volume in intensity modulated radiation therapy (IMRT) makes the head-scatter fraction of the incident photon fluence more significant than that in conventional therapy with open fields. On the other hand. certain collimator configurations block scatter photons directed to a given observation point while allowing primary photons to be transmitted. The 'anomalous blocking' makes the primary field a poor indicator of the scatter fluence. Since large MU-to-cGy ratios in IMRT can magnify head-scatter uncertainties, it becomes necessary to accurately model both the effective scatter source and the collimator structure that limits the scatter reaching the irradiated volume. First we obtain a dual-source model, using a Taylor series expansion to derive the effective scatter source distribution from the data measured for the Elekta SL20 linac equipped with a multi-leaf collimator (MLC). Then, using a raytracing algorithm, we calculate the transmission of scatter rays from the effective scatter source plane to points in the patient plane. The method can account for the anomalous blocking of scatter by the MLC leaves and the backup diaphragms. For a variety of collimator settings tested, the calculations agree with measurements to an accuracy of 0.002psi10 x 10, where psi10 x 10 is the total (primary + scatter) photon fluence of an open 10 x 10 cm2 field for the same MU delivered. Although the significance of collimator structure in IMRT depends strongly on fields shapes employed for the delivery, potential cumulative errors on the order of a few per cent can be avoided in fluence calculations if the proposed method is used. PMID:11474941

  5. Value added structures and coordination structures of the decentral power generation. An actor-centered and institution-centered analyses by means of selected case examples; Wertschoepfungs- und Koordinationsstrukturen der dezentralen Stromerzeugung. Eine akteur- und institutionenzentrierte Analyse anhand ausgewaehlter Fallbeispiele

    Energy Technology Data Exchange (ETDEWEB)

    Brocke, Tobias

    2012-07-01

    Against the background of energy policy and climate policy decisions, the decentralized power generation has gained in importance in Germany. Previous research activities on this topic mostly concerned with technical, legal, environmental and economic issues as well as potential analyses for certain forms of power generation. In contrast, the contribution under consideration deals with the organizational structures and governance structures of the decentralized power generation at local and regional level. In particular, it concerns the question to what extent the decentralized power generation results in the formation of localized production connections. In addition, it is about the importance of institutional framework as well as the role of regulatory, political and civil society actors who are affected by the distributed power generation.

  6. Structural Analyses of Short-Chain Prenyltransferases Identify an Evolutionarily Conserved GFPPS Clade in Brassicaceae Plants.

    Science.gov (United States)

    Wang, Chengyuan; Chen, Qingwen; Fan, Dongjie; Li, Jianxu; Wang, Guodong; Zhang, Peng

    2016-02-01

    Terpenoids are the largest and most diverse class of plant-specialized metabolites, which function in diverse physiological processes during plant development. In the biosynthesis of plant terpenoids, short-chain prenyltransferases (SC-PTs), together with terpene synthases (TPSs), play critical roles in determining terpenoid diversity. SC-PTs biosynthesize prenyl pyrophosphates with different chain lengths, and these compounds are the direct precursors of terpenoids. Arabidopsis thaliana possesses a subgroup of SC-PTs whose functions are not clearly known. In this study, we focus on 10 geranylgeranyl pyrophosphate synthase-like [GGPPSL] proteins, which are commonly thought to produce GGPP [C20]. We found that a subset of members of the Arabidopsis GGPPSL gene family have undergone neo-functionalization: GGPPSL6, 7, 9, and 10 mainly have geranylfarnesyl pyrophosphate synthase activity (C25; renamed AtGFPPS1, 2, 3, and 4), and GGPPSL8 produces even longer chain prenyl pyrophosphate (≥ C30; renamed polyprenyl pyrophosphate synthase 2, AtPPPS2). By solving the crystal structures of AtGFPPS2, AtPPPS2, and AtGGPPS11, we reveal the product chain-length determination mechanism of SC-PTs and interpret it as a "three floors" model. Using this model, we identified a novel GFPPS clade distributed in Brassicaceae plants and found that the GFPPS gene typically occurs in tandem with a gene encoding a TPS, forming a GFPPS-TPS gene cluster. PMID:26537048

  7. Dynamic testing of a circular foundation and analyses of soil/structure interaction

    International Nuclear Information System (INIS)

    The concrete basemat of a one-quarter scale model of a nuclear power plant containment building was subjected to steady-state forced-vibration testing. The measured response was used to estimate the impedance functions for all rigid-body degrees of freedom and natural frequencies and damping for the fundamental modes. Blind predictions of the soil/structure interaction (SSI) during the vibration test were made independently by other investigators. The tests, extraction of SSI parameters (including impedance functions from measured responses), results of the blind prediction, and various comparisons of test-determined parameters with their analytical counterparts are described. Analytical impedance functions based on a model of a rigid plate on an elastic half-space were found to have a similar trend and/or values as the test-determined functions in the frequency range containing the rigid-body modes but not outside that range. The discrepancies between analysis and experiment are traced to possible errors in test measurements and geophysical data, as well as to the assumptions of rigid-body motion and soil homogeneity. 17 refs., 18 figs., 3 tabs

  8. Structural and functional analyses of DM43, a snake venom metalloproteinase inhibitor from Didelphis marsupialis serum.

    Science.gov (United States)

    Neves-Ferreira, Ana G C; Perales, Jonas; Fox, Jay W; Shannon, John D; Makino, Débora L; Garratt, Richard C; Domont, Gilberto B

    2002-04-12

    DM43, an opossum serum protein inhibitor of snake venom metalloproteinases, has been completely sequenced, and its disulfide bond pattern has been experimentally determined. It shows homology to human alpha(1)B-glycoprotein, a plasma protein of unknown function and a member of the immunoglobulin supergene family. Size exclusion and dynamic laser light scattering data indicated that two monomers of DM43, each composed of three immunoglobulin-like domains, associated to form a homodimer in solution. Analysis of its glycan moiety showed the presence of N-acetylglucosamine, mannose, galactose, and sialic acid, most probably forming four biantennary N-linked chains. DM43 inhibited the fibrinogenolytic activities of bothrolysin and jararhagin and formed 1:1 stoichiometric stable complexes with both metalloproteinases. DM43 was ineffective against atrolysin C or A. No complex formation was detected between DM43 and jararhagin C, indicating the essential role of the metalloproteinase domain for interaction. Homology modeling based on the crystal structure of a killer cell inhibitory receptor suggested the existence of an I-type Ig fold, a hydrophobic dimerization surface and six surface loops potentially forming the metalloproteinase-binding surface on DM43. PMID:11815628

  9. 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. PMID:24249491

  10. 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.

  11. Upper crustal structure of the Yellowstone Caldera from seismic delay time analyses and gravity correlations

    International Nuclear Information System (INIS)

    The 1978 Yellowstone-Snake River Plain seismic experiment provided detailed refraction data that were recorded across a two-dimensional array of seismographs in Yellowstone National Park. A delay time analysis was applied to 173 crystalline basement P/sub g/ arrivals from these data to determine the three-dimensional distribution of velocities and the layer configuration of the upper crust beneath the Yellowstone caldera. The P wave velocity structure of the caldera is characterized by a surface layer of combined sediments and rhyolite flows, averaging 2.8 km/s, that range in thickness from 1.5 to 2.0 km. Adjacent to the caldera, the crystalline upper crustal layer has a velocity of 6.05 +- 0.01 km/s, but this layer decreases by 6% to 5.70 km/s beneath the caldera and extends northeast 15 km beyond the caldera. Smaller zones of very low P velocity, 4.0 km/s, a 30% velocity reduction compared to the 6.05 km/s layer, occur in the upper crust beneath the northeastern caldera rim and beneath the southwest caldera in the vicinity of the Upper and Midway Geyser basins. A three-dimensional gravity interpretation based upon densities derived from the seismic model suggests that the regional gravity low of -60 mGal over the caldera correlates directly with (1) the surface layer of combined sediments and rhyolite flows, (2) the low-velocity, 5.7-km/s, upper crustal layer, and (3) the 4.0-km/s low-velocity zone beneath the northeastern caldera rim. An interpretation of the seismic velocities and densities, based on experimental data and theoretical models is made

  12. Structural and neural network analyses of fracture systems at the Aespoe Hard Rock Laboratory, SE Sweden

    International Nuclear Information System (INIS)

    The > 10,000 fractures documented in the 450 m deep Aespoe Hard Rock Laboratory (HRL) provide a unique opportunity to study brittle deformation of a Swedish bedrock mass. The fracture population consists of six major sets, one sub-horizontal and five sub-vertical. A classical structural analysis explored the interrelations between geometry and frequency of both dry and wet fractures with respect to depth and in-situ stresses. Three main findings are: In-situ stresses govern frequency distributions of dilated, hence water-bearing fractures. About 68.5% of sub-horizontal fractures are dilated in the thrust regime above a depth of ca. 230 m while 53% of sub-vertical fractures are dilated in the underlying wrench regime. Fractures curve both horizontally and vertically, a finding confirmed by the application of artificial neural networks that included Back-Propagation and Self-Organizing (Kohonen) networks. The asymmetry of the total fracture population and tilts of the sub-Cambrian peneplain demonstrates that multiple reactivations of fractures have tilted the Aespoe rock mass 6 deg to the west. The potential space problem raised by this tilt is negated by systematic curvature of steep fractures, some of which sole out to gently dipping fracture zones. Fractures probably developed their curvature when they formed deep in crystalline crust in Precambrian times but have since reactivated at shallow depths. These findings add significantly to the conceptual model of Aespoe and should be taken into account in future studies regarding the isolation of Sweden's high-grade radioactive waste in crystalline bedrock

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

    International Nuclear Information System (INIS)

    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

  14. Tungsten foil laminate for structural divertor applications – Analyses and characterisation of tungsten foil

    International Nuclear Information System (INIS)

    It has been attempted for several years to synthesise a tungsten material with a low brittle-to-ductile transition temperature and a high fracture toughness that can be used for structural parts. It was shown in our previous work that tungsten foil is ductile at room temperature and that this ductility can be transformed to bulk by synthesising a tungsten laminate. In this work we want to focus on tungsten foil and assess the microstructure as well as the mechanical properties of the foil. The assessment of the microstructure of 0.1 mm tungsten foil will be performed using electron microscopy. It will be shown that the grains of the tungsten foil have a dimension of 0.5 μm × 3 μm × 15 μm and a clear texture in (1 0 0) 〈0 1 1〉. This texture becomes even more pronounced by annealing. Three-point-bending tests with tungsten foil, as-received, will define the barriers: ductile at room temperature and brittle in liquid nitrogen (−196 °C). This shows that the ductility is a thermally activated process. Recrystallised tungsten foil (annealed for 1 h/2700 °C) shows ductile material behaviour at 200 °C. The paper closes with a discussion on the reasons of the ductility of 0.1 mm tungsten foil. These might be the ultra fine grained (UFG) microstructure or, in other words, a nano microstructure (see tungsten foil as-received), the high amount of mobile edge dislocations, and/or the foil effect, which means that dislocations can move to the surface and are annihilated (see tungsten foil recrystallised).

  15. 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

  16. 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

  17. Synchrotron Infrared Spectroscopy with Multivariate Spectral Analyses Potentially Facilitates the Classification of Inherent Structures of Feed-Type of Sorghum

    International Nuclear Information System (INIS)

    The objective of this study was to investigate the inherent structural-chemical features of Chinese feed-type sorghum seed using synchrotron-radiation Fourier transform infrared microspectroscopy (SRFTIRM) with two multivariate molecular spectral analysis techniques: Agglomerative Hierarchical cluster (AHCA) and principal component analyses (PCA). The results show that by application of these two multivariate techniques with the infrared spectroscopy of the SRFTIRM, it makes possible to discriminate and classify the inherent molecular structural features among the different layers of sorghum with a great efficiency. With the SRFTIRM, images of the molecular chemistry of sorghum could be generated at an ultra-spatial resolution. The features of nutrient matrix and nutrient make-up and interactions could be revealed.

  18. Analyses to demonstrate the structural performance of the CASTOR KN12 in hypothetical accident drop accident scenarios

    International Nuclear Information System (INIS)

    CASTORcircledR KN-12 is a new cask design by GNB for KHNP-NETEC for dry and wet transportation of up to twelve spent PWR fuel assemblies in Korea. It received its transport license from the Korean Competent Authority KINS in July 2002 and is now in use in South Korea. It has been designed to satisfy the regulatory requirements of the 10 CFR 71 and the IAEA ST-1 for Type B(U)F packages. Its structural performance was demonstrated against the load cases and boundary conditions as defined in 10 CFR 71 and NRC's Regulatory Guide 7.8, and further explained in NUREG 1617. This included normal conditions of transport load cases - including Hot Environment, Cold Environment, Increased External Pressure (140MPa), Minimum External Pressure (24.5kPa), Vibration and shock, and 0.3m free drop - and the hypothetical accident conditions load cases - including the 9m Free Drop, Puncture, Thermal Fire Accident, 200m Water Immersion and 1.5 x MNOP Internal Pressure. Structural performance were demonstrated by analysis, including state-of-the-art finite element (FE) simulation, and confirmed by tests using a 1/3-scale model. Test results were also used to verify the numerical tool and the methods used in the analyses. All the structural analyses including validation against drop tests were carried out by Arup, and testing were carried out by KAERI. This paper concentrates on the analysis carried out to demonstrate performance in the hypothetical accident 9m free drop scenarios, and results from a small selection of them

  19. Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES.

    Science.gov (United States)

    Kado, Yuji; Mizohata, Eiichi; Nagatoishi, Satoru; Iijima, Mariko; Shinoda, Keiko; Miyafusa, Takamitsu; Nakayama, Taisuke; Yoshizumi, Takuma; Sugiyama, Akira; Kawamura, Takeshi; Lee, Young-Hun; Matsumura, Hiroyoshi; Doi, Hirofumi; Fujitani, Hideaki; Kodama, Tatsuhiko; Shibasaki, Yoshikazu; Tsumoto, Kouhei; Inoue, Tsuyoshi

    2016-01-29

    Epiregulin (EPR) is a ligand of the epidermal growth factor (EGF) family that upon binding to its epidermal growth factor receptor (EGFR) stimulates proliferative signaling, especially in colon cancer cells. Here, we describe the three-dimensional structure of the EPR antibody (the 9E5(Fab) fragment) in the presence and absence of EPR. Among the six complementarity-determining regions (CDRs), CDR1-3 in the light chain and CDR2 in the heavy chain predominantly recognize EPR. In particular, CDR3 in the heavy chain dramatically moves with cis-trans isomerization of Pro(103). A molecular dynamics simulation and mutational analyses revealed that Arg(40) in EPR is a key residue for the specific binding of 9E5 IgG. From isothermal titration calorimetry analysis, the dissociation constant was determined to be 6.5 nm. Surface plasmon resonance analysis revealed that the dissociation rate of 9E5 IgG is extremely slow. The superimposed structure of 9E5(Fab)·EPR on the known complex structure of EGF·EGFR showed that the 9E5(Fab) paratope overlaps with Domains I and III on the EGFR, which reveals that the 9E5(Fab)·EPR complex could not bind to the EGFR. The 9E5 antibody will also be useful in medicine as a neutralizing antibody specific for colon cancer. PMID:26627827

  20. The application of fluid structure interaction techniques within finite element analyses of water-filled transport flasks

    International Nuclear Information System (INIS)

    Historically, Finite Element (FE) analyses of water-filled transport flasks and their payloads have been carried out assuming a dry environment, mainly due to a lack of robust Fluid Structure Interaction (FSI) modelling techniques. Also it has been accepted within the RAM transport industry that the presence of water would improve the impact withstand capability of dropped payloads within containers. In recent years the FE community has seen significant progress and improvement in FSI techniques. These methods have been utilised to investigate the effects of a wet environment on payload behaviour for the regulatory drop test within a recent transport licence renewal application. Fluid flow and pressure vary significantly during a wet impact and the effects on the contents become complex when water is incorporated into the flask analyses. Modelling a fluid environment within the entire flask is considered impractical; hence a good understanding of the FSI techniques and assumptions regarding fluid boundaries is required in order to create a representative FSI model. Therefore, a Verification and Validation (V and V) exercise was undertaken to underpin the FSI techniques eventually utilised. A number of problems of varying complexity have been identified to test the FSI capabilities of the explicit code LS-DYNA, which is used in the extant dry container impact analyses. RADIOSS explicit code has been used for comparison, to provide further confidence in LS-DYNA predictions. Various methods of modelling fluid are tested, and the relative advantages and limitations of each method and FSI coupling approaches are discussed. Results from the V and V problems examined provided sufficient confidence that FSI effects within containers can be accurately modelled

  1. Structural characterizations and thermal analyses of Se{sub 70}Te{sub 30} chalcogenide glassy alloy

    Energy Technology Data Exchange (ETDEWEB)

    Abd-Elrahman, M.I., E-mail: mostafaia11@yahoo.com [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt); Khafagy, Rasha M. [Materials Science Laboratory, Physics Department, Girls College for Arts, Science, and Education, Ain Shams University, Cairo (Egypt); Zaki, Shiamaa A.; Hafiz, M.M. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)

    2014-01-10

    Highlights: • Thermal annealing results in amorphous-crystalline change in Se{sub 70}Te{sub 30}. • The average crystallite size increases when the temperature annealing increases. • The kinetics study includes the estimation of the crystallization parameters. - Abstract: The structural characterizations of Se{sub 70}Te{sub 30} chalcogenide glass for the as-prepared and thermal annealed samples are identified using the X-ray diffraction (XRD) and scanning electron microscopy (SEM). The isothermal thermal annealing process results in a transformation from the amorphous to the crystalline state. The average crystallite size increases from 8.67 to 11.24 nm when the temperature annealing increases from 95 to 118 °C. The thermal analyses of Se{sub 70}Te{sub 30} glass are investigated using a differential thermal analyzer (DTA) at five different heating rates under non-isothermal conditions. The activation energy of the glass forming (E{sub g}) as a parameter for the glass transition is estimated by employing different approaches proposed for thermal analyses. The study of crystallization kinetics includes the estimation of the activation energy of crystallization (E{sub c}), frequency factor (K{sub o}) and Avrami exponent (n)

  2. 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...... 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-interlayers and the...... 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 the...

  3. 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

    2014-04-01

    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. PMID:24620787

  4. Structural analyses on piping systems of sodium reactors. 2. Eigenvalue analyses of hot-leg pipelines of large scale sodium reactors

    International Nuclear Information System (INIS)

    Two types of finite element models analyzed eigenvalues of hot-leg pipelines of a large-scale sodium reactor. One is a beam element model, which is usual for pipe analyses. The other is a shell element model to evaluate particular modes in thin pipes with large diameters. Summary of analysis results: (1) A beam element model and a order natural frequency. A beam element model is available to get the first order vibration mode. (2) The maximum difference ratio of beam mode natural frequencies was 14% between a beam element model with no shear deformations and a shell element model. However, its difference becomes very small, when shear deformations are considered in beam element. (3) In the first order horizontal mode, the Y-piece acts like a pendulum, and the elbow acts like the hinge. The natural frequency is strongly affected by the bending and shear rigidities of the outer supporting pipe. (4) In the first order vertical mode, the vertical sections of the outer and inner pipes moves in the axial-directional piston mode, the horizontal section of inner pipe behaves like the cantilever, and the elbow acts like the hinge. The natural frequency is strongly affected by the axial rigidity of outer supporting pipe. (5) Both effective masses and participation factors were small for particular shell modes. (author)

  5. Structural dynamics of the alpha-neurotoxin-acetylcholine-binding protein complex: hydrodynamic and fluorescence anisotropy decay analyses.

    Science.gov (United States)

    Hibbs, Ryan E; Johnson, David A; Shi, Jianxin; Hansen, Scott B; Taylor, Palmer

    2005-12-20

    The three-fingered alpha-neurotoxins have played a pivotal role in elucidating the structure and function of the muscle-type and neuronal alpha7 nicotinic acetylcholine receptors (nAChRs). To advance our understanding of the alpha-neurotoxin-nAChR interaction, we examined the flexibility of alpha-neurotoxin bound to the acetylcholine-binding protein (AChBP), which shares structural similarity and sequence identities with the extracellular domain of nAChRs. Because the crystal structure of five alpha-cobratoxin molecules bound to AChBP shows the toxins projecting radially like propeller "blades" from the perimeter of the donut-shaped AChBP, the toxin molecules should increase the frictional resistance and thereby alter the hydrodynamic properties of the complex. alpha-Bungarotoxin binding had little effect on the frictional coefficients of AChBP measured by analytical ultracentrifugation, suggesting that the bound toxins are flexible. To support this conclusion, we measured the anisotropy decay of four site-specifically labeled alpha-cobratoxins (conjugated at positions Lys(23), Lys(35), Lys(49), and Lys(69)) bound to AChBP and free in solution and compared their anisotropy decay properties with fluorescently labeled cysteine mutants of AChBP. The results indicated that the core of the toxin molecule is relatively flexible when bound to AChBP. When hydrodynamic and anisotropy decay analyses are taken together, they establish that only one face of the second loop of the alpha-neurotoxin is immobilized significantly by its binding. The results indicate that bound alpha-neurotoxin is not rigidly oriented on the surface of AChBP but rather exhibits segmental motion by virtue of flexibility in its fingerlike structure. PMID:16342951

  6. 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}.

  7. Structure elucidation and toxicity analyses of the radiolytic products of aflatoxin B1 in methanol-water solution

    International Nuclear Information System (INIS)

    Highlights: → Radiolytic products of aflatoxin B1 were produced under gamma irradiation. → Seven key radiolytic products were structure-elucidated. → Free-radical species in radiolytic solution resulted in the formation of products. → Based on the structure-activity relationship analysis, the toxicity of radiolytic products was significantly reduced compared with that of AFB1. → 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 B1 (AFB1; 20 mg L-1) was irradiated with Co60 gamma ray to generate radiolytic products. Liquid chromatography-quadruple time-of-flight mass spectrometry was applied to identify the radiolytic products of AFB1. 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 AFB1 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 AFB1.

  8. 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.

  9. 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.

  10. 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

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

    International Nuclear Information System (INIS)

    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

  12. 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. PMID:26838912

  13. Molecular and functional analyses of a maize autoactive NB-LRR protein identify precise structural requirements for activity.

    Directory of Open Access Journals (Sweden)

    Guan-Feng Wang

    2015-02-01

    Full Text Available Plant disease resistance is often mediated by nucleotide binding-leucine rich repeat (NLR proteins which remain auto-inhibited until recognition of specific pathogen-derived molecules causes their activation, triggering a rapid, localized cell death called a hypersensitive response (HR. Three domains are recognized in one of the major classes of NLR proteins: a coiled-coil (CC, a nucleotide binding (NB-ARC and a leucine rich repeat (LRR domains. The maize NLR gene Rp1-D21 derives from an intergenic recombination event between two NLR genes, Rp1-D and Rp1-dp2 and confers an autoactive HR. We report systematic structural and functional analyses of Rp1 proteins in maize and N. benthamiana to characterize the molecular mechanism of NLR activation/auto-inhibition. We derive a model comprising the following three main features: Rp1 proteins appear to self-associate to become competent for activity. The CC domain is signaling-competent and is sufficient to induce HR. This can be suppressed by the NB-ARC domain through direct interaction. In autoactive proteins, the interaction of the LRR domain with the NB-ARC domain causes de-repression and thus disrupts the inhibition of HR. Further, we identify specific amino acids and combinations thereof that are important for the auto-inhibition/activity of Rp1 proteins. We also provide evidence for the function of MHD2, a previously uncharacterized, though widely conserved NLR motif. This work reports several novel insights into the precise structural requirement for NLR function and informs efforts towards utilizing these proteins for engineering disease resistance.

  14. Dissecting the calcium-induced differentiation of human primary keratinocytes stem cells by integrative and structural network analyses.

    Directory of Open Access Journals (Sweden)

    Kiana Toufighi

    2015-05-01

    Full Text Available The molecular details underlying the time-dependent assembly of protein complexes in cellular networks, such as those that occur during differentiation, are largely unexplored. Focusing on the calcium-induced differentiation of primary human keratinocytes as a model system for a major cellular reorganization process, we look at the expression of genes whose products are involved in manually-annotated protein complexes. Clustering analyses revealed only moderate co-expression of functionally related proteins during differentiation. However, when we looked at protein complexes, we found that the majority (55% are composed of non-dynamic and dynamic gene products ('di-chromatic', 19% are non-dynamic, and 26% only dynamic. Considering three-dimensional protein structures to predict steric interactions, we found that proteins encoded by dynamic genes frequently interact with a common non-dynamic protein in a mutually exclusive fashion. This suggests that during differentiation, complex assemblies may also change through variation in the abundance of proteins that compete for binding to common proteins as found in some cases for paralogous proteins. Considering the example of the TNF-α/NFκB signaling complex, we suggest that the same core complex can guide signals into diverse context-specific outputs by addition of time specific expressed subunits, while keeping other cellular functions constant. Thus, our analysis provides evidence that complex assembly with stable core components and competition could contribute to cell differentiation.

  15. Dissecting the Calcium-Induced Differentiation of Human Primary Keratinocytes Stem Cells by Integrative and Structural Network Analyses

    Science.gov (United States)

    Toufighi, Kiana; Yang, Jae-Seong; Luis, Nuno Miguel; Aznar Benitah, Salvador; Lehner, Ben; Serrano, Luis; Kiel, Christina

    2015-01-01

    The molecular details underlying the time-dependent assembly of protein complexes in cellular networks, such as those that occur during differentiation, are largely unexplored. Focusing on the calcium-induced differentiation of primary human keratinocytes as a model system for a major cellular reorganization process, we look at the expression of genes whose products are involved in manually-annotated protein complexes. Clustering analyses revealed only moderate co-expression of functionally related proteins during differentiation. However, when we looked at protein complexes, we found that the majority (55%) are composed of non-dynamic and dynamic gene products (‘di-chromatic’), 19% are non-dynamic, and 26% only dynamic. Considering three-dimensional protein structures to predict steric interactions, we found that proteins encoded by dynamic genes frequently interact with a common non-dynamic protein in a mutually exclusive fashion. This suggests that during differentiation, complex assemblies may also change through variation in the abundance of proteins that compete for binding to common proteins as found in some cases for paralogous proteins. Considering the example of the TNF-α/NFκB signaling complex, we suggest that the same core complex can guide signals into diverse context-specific outputs by addition of time specific expressed subunits, while keeping other cellular functions constant. Thus, our analysis provides evidence that complex assembly with stable core components and competition could contribute to cell differentiation. PMID:25946651

  16. 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

  17. 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.

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

    Science.gov (United States)

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

    2007-09-01

    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 environmental DNA, circumvented common biases of 16S rRNA gene-based DGGE analyses and proved to be a reliable tool to unravel the diversity of uncultured Pseudomonas in bulk and rhizosphere soils. Pseudomonas-specific gacA fingerprints of total-community (TC) rhizosphere DNA were surprisingly diverse, plant-specific and differed markedly from those of the corresponding bulk soils. By combining multiple culture-dependent and independent surveys, a group of Pseudomonas isolates antagonistic towards V. dahliae was shown to be genotypically conserved, to carry the phlD biosynthetic locus (involved in the biosynthesis of 2,4-diacetylphloroglucinol - 2,4-DAPG), and to correspond to a dominant and highly frequent Pseudomonas population in the rhizosphere of field-grown strawberries planted at three sites in Germany which have different land use histories. This population belongs to the Pseudomonas fluorescens phylogenetic lineage and showed closest relatedness to P. fluorescens strain F113 (97% gacA gene sequence identity in 492-bp sequences), a biocontrol agent and 2,4-DAPG producer. Partial gacA gene sequences derived from isolates, clones of the strawberry rhizosphere and DGGE bands retrieved in this study represent previously undescribed Pseudomonas gacA gene clusters as revealed by phylogenetic analysis. PMID:17686023

  19. 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.

  20. 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

  1. Application of Structural Reliability to support deterministic integrity analyses of Reactor Pressure Vessel subjected to transient conditions

    International Nuclear Information System (INIS)

    The benefits of a probabilistic approach compared to the more conventional deterministic method are the clear treatment of uncertainties and the possibility to perform sensitivity studies from which it is possible to identify and quantify the effect of key factors and mitigative actions. They thus provide information to support optimal decisions related to in-service inspection planning and maintenance strategies, lifetime prediction or reassessment, integrity assessment of degradation and definition of in-service acceptability criteria. Apart from a clear modelling of fracture mechanics concept and detailed knowledge of the input data, application of this type of analysis requires a tool capable of making a reasonably easy numerical estimate of the probability of failure. For this purpose a benchmark problem has been performed by EDF, Framatome and CEA to clarify the difficulties and differences in numerical processes. In this study, general state-of-the-art structural reliability methods known as First and Second Order Reliability Methods (FORM/SORM) along with Monte Carlo Simulation and Importance Sampling were tested on a rather complex mechanical model. This model concerns the risk of brittle rupture of a PWR vessel subjected to transient conditions. The objective of this paper is to present the results of this benchmark exercises used also to validate the probabilistic model and its input random parameters. By performing sensitivity studies and analyzing the coordinate value of the design point (most probable failure point given by FORM method), the most influential parameters have been identified on this case study. Special data base have therefore been collected and sophisticated statistical treatment performed to update more precisely the probability distribution of these parameters (the fracture toughness transition curve, the irradiation-induced shift prediction, the flaw size, the reliability of NDE...). Results from these probabilistic analyses can now

  2. Structure de marché et productivité : théorie et analyse empirique sur données manufacturières

    OpenAIRE

    Ledezma, Ivan

    2008-01-01

    This thesis studies the link between market structure and productivity. The core of the analysis takes into account relevant features of manufacturing such as economies of scales, firm heterogeneity and asymmetric knowledge. We investigate how the change in both inward and outward aspects of market structure shapes firms incentives to obtain productivity gains. The first part of the thesis analyses the effect of trade policy on firm productivity. We use firm-level data of Chilean plants (chap...

  3. Preliminary examination of food web structure of Nicola Lake (Taim Hydrological System, south Brazil) using dual C and N stable isotope analyses

    OpenAIRE

    Alexandre M. Garcia; Hoeinghaus, David J.; João P Vieira; Kirk O. Winemiller; David M. L. Motta Marques; Marlise de A Bemvenuti

    2006-01-01

    Taim Ecological Reserve is located within the Taim Hydrological System and was created to protect a heterogeneous and productive landscape harboring exceptional biological diversity in southern Brazil. Using stable isotope ratio analyses of carbon (delta13C) and nitrogen (delta15N), we provide a preliminary description of the food web structure, including estimates of production sources supporting fish populations and vertical trophic structure, within a representative lake of this system. A ...

  4. Investigation of Torsional Effects on Thirteen-Story Reinforced Concrete Frame-Wall Structure Modeled in ETABS and SAP2000 Using Linear and Nonlinear Static and Dynamic Analyses /

    OpenAIRE

    Bolander, Julie Christine

    2014-01-01

    The primary objective of this thesis is to evaluate the effects of torsion on the nonlinear seismic response of a thirteen-story reinforced concrete frame-wall structure with an asymmetric stiffness in plan. The NEHRP building structure, located in Berkeley, CA and previously designed by André Barbosa, was modeled in ETABS and SAP2000 to perform several analyses. The models accounted for realistic cracked concrete section stiffnesses, expected material properties, and nonlinear plastic hinges...

  5. Constancy of Adult Personality Structure in Males: Longitudinal, Cross-Sectional and Times-of-Measurement Analyses.

    Science.gov (United States)

    McCrae, Robert R.; And Others

    1980-01-01

    The invariance of factor structures in the Guilford Zimmerman Temperament Survey is clearly evident. Basic personality structure appears little affected by social and historical change. Results favor the stability model for objectively measured personality traits in adult males. (JAC)

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

    OpenAIRE

    Michaľčonok German; Kalinová Michaela Horalová; Németh Martin

    2014-01-01

    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 proc...

  7. 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.

  8. The Latent Structure of Dietary Restraint, Body Dissatisfaction, and Drive for Thinness: A Series of Taxometric Analyses

    Science.gov (United States)

    Holm-Denoma, Jill M.; Richey, J. Anthony; Joiner, Thomas E., Jr.

    2010-01-01

    Although the latent structure of various eating disorders has been explored in previous studies, no published studies have examined the latent structure of theoretically relevant variables that have been shown to cut across eating disorder diagnoses. The current study examined 3 such variables (dietary restraint, body dissatisfaction, and drive…

  9. 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.

  10. Experiments on thermal stratification in a piping system dead leg, CFD simulations and structural analyses (TOKE and STIN)

    International Nuclear Information System (INIS)

    Thermal stratification of hot and cold water in piping system dead legs has been investigated. The work has been done in co-operation between the thermal hydraulic experiments and code validation (TOKE) and the structural integrity (STIN) projects of the FINNUS research programme. The heat transport in the stratification region was studied with temperature measurements, and the response of the structures to the heat loads was investigated with strain gauges. Heat loads on the inner walls of the pipes were calculated with computational fluid dynamics (CFD) and transferred to structural analysis for the determination of stresses and strains. The calculations were validated by comparing the results with the experiments. (orig.)

  11. Structural analyses of the fuel receiving station pool at the Nuclear Fuel Service reprocessing plant, West Valley, New York

    Energy Technology Data Exchange (ETDEWEB)

    Dong, R.G.; Ma, S.M.

    1978-05-05

    The FRS is a pool structure and enclosing building constructed in 1966 for storing spent nuclear fuel. The enclosing building was not analyzed. The pool structure's responses to operating loads, seismic excitation, and an accidentally dropped cask were determined. Locations in the FRS pool were identified where structural strength would be exceeded in the event of an earthquake of 0.2 g maximum ground acceleration or an accident in which a cask dropped from the maximum height of the crane hook used to maneuver it. 25 figures, 4 tables.

  12. Structural analyses of the fuel receiving station pool at the Nuclear Fuel Service reprocessing plant, West Valley, New York

    International Nuclear Information System (INIS)

    The FRS is a pool structure and enclosing building constructed in 1966 for storing spent nuclear fuel. The enclosing building was not analyzed. The pool structure's responses to operating loads, seismic excitation, and an accidentally dropped cask were determined. Locations in the FRS pool were identified where structural strength would be exceeded in the event of an earthquake of 0.2 g maximum ground acceleration or an accident in which a cask dropped from the maximum height of the crane hook used to maneuver it. 25 figures, 4 tables

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

    OpenAIRE

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

    2012-01-01

    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 ...

  14. 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.

  15. Information content of X-ray analyses characterizing the structural state of cocoa butter and their manufacturing conditions

    International Nuclear Information System (INIS)

    Direct X-ray analyses performed on the model substance cocoa butter revealed a direct relation between the easily measurable quantities of the diffraction pattern (site, intensity and sharpness of the reflexes) and the characteristic parameters of the sample (lattice constants, 'perfection' and crystalline fraction), which can be derived from these measured quantities, on the one side, and the technological parameters of the manufacturing process (tempering regimen and storage conditions) on the other side. An automated X-ray diffractometer was used and an optimal measuring strategy was developed the measuring effects being sufficiently great as compared to the measuring errors and the characterization of one sample requiring only 30 - 60 minutes. (author)

  16. Analyses of the internal structure of the oscillating vibro-packed fuels by the micro focus X-rays CT method

    International Nuclear Information System (INIS)

    The purpose of this study is to support the development of vibro-packed fuel technology at Japan Nuclear Cycle Development Institute. 3-dimensional (3-D) data was built from the multi-cross sectional images obtained by the micro focus X-rays CT method in the vibro-packed fuel models. The structural analyses were carried out about the obtained 3-D CT images. The packing-rate distribution and the density distribution were measured as well as the number distribution of particles, etc. Consequently, it is obtained that vibrate conditions and a vibrating state have strong correlation, and it is also shown that the 3-D analyses of the internal structure by the micro focus X-rays CT method are effective in performance evaluation of vibro-packed fuels. (author)

  17. 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)

  18. STING Millennium Suite: integrated software for extensive analyses of 3d structures of proteins and their complexes

    Directory of Open Access Journals (Sweden)

    Yamagishi Michel EB

    2004-08-01

    Full Text Available Abstract Background The integration of many aspects of protein/DNA structure analysis is an important requirement for software products in general area of structural bioinformatics. In fact, there are too few software packages on the internet which can be described as successful in this respect. We might say that what is still missing is publicly available, web based software for interactive analysis of the sequence/structure/function of proteins and their complexes with DNA and ligands. Some of existing software packages do have certain level of integration and do offer analysis of several structure related parameters, however not to the extent generally demanded by a user. Results We are reporting here about new Sting Millennium Suite (SMS version which is fully accessible (including for local files at client end, web based software for molecular structure and sequence/structure/function analysis. The new SMS client version is now operational also on Linux boxes and it works with non-public pdb formatted files (structures not deposited at the RCSB/PDB, eliminating earlier requirement for the registration if SMS components were to be used with user's local files. At the same time the new SMS offers some important additions and improvements such as link to ProTherm as well as significant re-engineering of SMS component ConSSeq. Also, we have added 3 new SMS mirror sites to existing network of global SMS servers: Argentina, Japan and Spain. Conclusion SMS is already established software package and many key data base and software servers worldwide, do offer either a link to, or host the SMS. SMS (Sting Millennium Suite is web-based publicly available software developed to aid researches in their quest for translating information about the structures of macromolecules into knowledge. SMS allows to a user to interactively analyze molecular structures, cross-referencing visualized information with a correlated one, available across the internet. SMS

  19. Accurate structure analyses of polymer crystals on the basis of wide-angle X-ray and neutron diffractions

    International Nuclear Information System (INIS)

    The crystal structure analysis of various polymer substances has been reviewed on the basis of wide-angle high-energy X-ray and neutron diffraction data. The progress in structural analytical techniques of polymer crystals have been reviewed at first. The structural models proposed so far were reinvestigated and new models have been proposed for various kinds of polymer crystals including polyethylene, poly(vinyl alcohol), poly(lactic acid) and its stereocomplex etc. The hydrogen atomic positions were also clarified by the quantitative analysis of wide-angle neutron diffraction data, from which the physical properties of polymer crystals have been evaluated theoretically. The bonded electron density distribution has been estimated for a polydiacetylene single crystal on the basis of the so-called X-N method or by the combination of structural information derived from X-ray and neutron diffraction data analysis. Some comments have been added about future developments in the field of structure-property relationship determination. (author)

  20. 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 ...... damping control of the Rio-Niterói steel girder bridge, Rio de Janeiro, which is occasionally severely exposed to vortex-induced vibrations.......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 a...... fixed cylinder. Simiu and Scanlan (1996 Wind Effects on Structures. New York: John Wiley & Sons Inc.) have proposed a widely used model for the self-induced part of the load based on a van der Pol oscillator. The aim of this paper is to investigate the optimal design of tuned mass dampers for such a...

  1. Review structural analyses of Olkiluoto3 EPR plant turbine and cooling water pump buildings for serviceability limit states

    International Nuclear Information System (INIS)

    This paper describes the review structural analysis for the Turbine Building of Olkiluoto 3 NPP (UMA) under finished condition when building is covered with insulated cladding and inside temperatures are maintained by HVAC system. The main aim of the review structural analysis is to ensure the sufficient strength and deformation characteristics of the turbine building structures. The second part of this paper describes the verification structural analysis for the Cooling Water Pump Building of Olkiluoto 3 NPP (UQA). The current verification analysis assesses the validity of the Cooling Water Pump building design for serviceability limit states concentrating on crack width calculations. The introduction of construction time shrinkage joints in the turbine building deletes to the large extent the uneven shrinkage contraction in the concrete substructure. It also enables the uniform temperature expansion of the turbine building structures. The required rebar areas in the cooling water pump building were determined for long term serviceability limit states and for allowable crack widths of 0.13 mm as well as for short term serviceability limit states and for allowable crack widths of 0.26 mm. From the obtained results it can be concluded that more than 95% from the all shell elements in the model of the cooling water pump building fulfill crack width requirements in both long term and short term load conditions with the system reinforcement of two layers of 20 mm rebars with 100 mm pitch in both directions. (author)

  2. Data on publications, structural analyses, and queries used to build and utilize the AlloRep database.

    Science.gov (United States)

    Sousa, Filipa L; Parente, Daniel J; Hessman, Jacob A; Chazelle, Allen; Teichmann, Sarah A; Swint-Kruse, Liskin

    2016-09-01

    The AlloRep database (www.AlloRep.org) (Sousa et al., 2016) [1] compiles extensive sequence, mutagenesis, and structural information for the LacI/GalR family of transcription regulators. Sequence alignments are presented for >3000 proteins in 45 paralog subfamilies and as a subsampled alignment of the whole family. Phenotypic and biochemical data on almost 6000 mutants have been compiled from an exhaustive search of the literature; citations for these data are included herein. These data include information about oligomerization state, stability, DNA binding and allosteric regulation. Protein structural data for 65 proteins are presented as easily-accessible, residue-contact networks. Finally, this article includes example queries to enable the use of the AlloRep database. See the related article, "AlloRep: a repository of sequence, structural and mutagenesis data for the LacI/GalR transcription regulators" (Sousa et al., 2016) [1]. PMID:27508249

  3. Synthesis, structure, spectral, thermal analyses and DFT calculation of a hydrogen bonded crystal: 2-Aminopyrimidinium dihydrogenphosphate monohydrate

    Science.gov (United States)

    Thangarasu, S.; Suresh Kumar, S.; Athimoolam, S.; Sridhar, B.; Asath Bahadur, S.; Shanmugam, R.; Thamaraichelvan, A.

    2014-09-01

    A proton transfer complex of 2-aminopyrimidine with phosphoric acid was synthesized and crystallized. Single crystal X-ray studies, the vibrational spectral analysis using Laser Raman and FT-IR spectroscopy in the range of 4000-400 cm-1, UV-Vis-NIR studies and thermogravimetric analyses were carried out in the solid crystalline form. The single crystal X-ray studies shows that the crystal packing is dominated by Nsbnd H⋯O and Osbnd H⋯O hydrogen bonds leading to a hydrogen bonded ensemble. The two dimensional cationic layers, connected through the centrosymmetric anionic dimer of R22(8) motif, is extending along ab plane of the crystal leading to zig-zag infinite chain C21(6) and C22(6) motifs. To investigate the strength of the hydrogen bonds, vibrational spectral studies were adopted and the shifting of bands due to the intermolecular interactions were analyzed. Density Functional Theory (DFT) using the B3LYP function with the 6-311++G(d,p) basis set was applied to the solid state molecular geometry obtained from single crystal X-ray studies. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which shows appreciable agreement. NBO analysis has been carried out by DFT level. In this study explains charge delocalization of the present molecule which shows the possible biological/pharmaceutical activity of the molecule. The number of normal modes were also attempted by the factor group analysis method. It is evident that the influence of extensive intermolecular hydrogen bonds reduces the Td symmetry of the phosphate anion to the lower C2v symmetry. The existence of exothermic peaks in DTA iterate the breaking of intermolecular hydrogen bonds and the phase change of the crystal. The presence of water molecule is also confirmed in the thermal analyses.

  4. Structural and Biochemical Analyses of Shikimate Dehydrogenase AroE from Aquifex aeolicus: Implications for the Catalytic Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Gan,J.; Wu, Y.; Prabakaran, P.; Gu, Y.; Li, Y.; Andrykovitch, M.; Liu, H.; Gong, Y.; Yan, H.; Ji, X.

    2007-01-01

    The shikimate biosynthetic pathway is essential to microorganisms, plants, and parasites but absent from mammals. Therefore, shikimate dehydrogenase (SD) and other enzymes in the pathway are attractive targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs. SD catalyzes the fourth reaction in the pathway, the nicotinamide adenine dinucleotide phosphate- (NADP-) dependent reduction of 3-dehydroshikimic acid to shikimic acid (SA), as well as its reverse, by the transfer of a hydride. Previous structural studies reveal that the enzyme exists in two major conformations, an open and a closed form. For the reaction to occur, it is believed that the catalytic complex assumes the closed conformation. Nonetheless, the only structure containing both SA and NADP{sup +} exhibits an open conformation (PDB entry 2EV9). Here, we present two crystal structures of Aquifex aeolicus SD, including a ternary complex with both SA and NADP{sup +}, which assumes the closed conformation and therefore contains a catalytically competent active site. On the basis of preexisting and novel structural and biochemical data, a catalytic mechanism is proposed.

  5. 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…

  6. 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.

  7. 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; Seiffert, Martina; Frisvad, Jens Christian; Gotfredsen, Charlotte Held; Larsen, Thomas Ostenfeld

    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 ...

  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. Bad Apples, Bad Barrels, and the Structure of Marketing Channel Relationships: Analyses of the Propensity for Opportunism and Opportunistic Behaviors

    OpenAIRE

    Ishida, Chiharu

    2007-01-01

    The theoretical frameworks of transaction cost economics and agency theory are widely used to design appropriate governance structure for constraining opportunism within marketing channels. These approaches generally assume that marketing channel managers are opportunistic, and only economic constraints deter opportunism in exchange relationships. However, some empirical studies have shown that managers do not always behave opportunistically even if conditions permit such behavior. In additio...

  10. Novel evolutionary lineages revealed in the Chaetothyriales (Fungi) based on multigene phylogenetic analyses and comparison of ITS secondary structure

    Czech Academy of Sciences Publication Activity Database

    Réblová, Martina; Untereiner, W. A.; Réblová, K.

    2013-01-01

    Roč. 8, č. 5 (2013), e63547. E-ISSN 1932-6203 R&D Projects: GA ČR GAP506/12/0038 Institutional support: RVO:67985939 Keywords : Cyphelophora * Phialophora * secondary structure Subject RIV: EF - Botanics Impact factor: 3.534, year: 2013

  11. Ion aggregation in high salt solutions. IV. Graph-theoretical analyses of ion aggregate structure and water hydrogen bonding network.

    Science.gov (United States)

    Choi, Jun-Ho; Cho, Minhaeng

    2015-09-14

    Ions in high salt solutions form a variety of ion aggregates, from ion pairs to clusters and networks. Their influences on water hydrogen bonding (H-bonding) network structures have long been of great interest. Recently, we have shown that the morphological structures of ion aggregates can be analyzed by using a spectral graph analysis theory, where each ion cluster or ion network is represented by a properly defined graph with edges and vertices. Here, to further examine the network properties of ion aggregates and water H-bonding networks in high salt solutions, we consider a few representative graph-theoretical descriptors: clustering coefficient, minimum path length, global efficiency, and degree distribution of ion aggregates. From the molecular dynamics trajectories, these graph theoretical properties of ion aggregates and water structures in NaCl and kosmotropic solutions are calculated and shown to be strongly dependent on the two types of ion aggregate structures, i.e., ion cluster and ion network. Ion clusters in high NaCl solutions exhibit typical behaviors of scale free network. The corresponding graph theoretical properties of ion networks in high KSCN solutions are notably different from those of NaCl ion clusters and furthermore they are very similar to those of water hydrogen-bonding network. The present graph-theoretical analysis results indicate that the high solubility limits of KSCN and other ion-network-forming salts might originate from their ability to form a large scale morphological network that can be intertwined with co-existing water H-bonding network. Furthermore, it is shown that the graph-theoretical properties of water H-bonding network structures do not strongly depend on the nature of dissolved ions nor on the morphological structures of ion aggregates, indicating that water's H-bonding interaction and network-forming capability are highly robust. We anticipate that the present graph-theoretical analysis results of high salt

  12. Analysing EWviews

    DEFF Research Database (Denmark)

    Jelsøe, Erling; Jæger, Birgit

    2015-01-01

    When analysing the results of a European wide citizen consultation on sustainable consumption it is necessary to take a number of issues into account, such as the question of representativity and tensions between national and European identies and between consumer and Citizen orientations regarding...

  13. 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.)

  14. "Comparison of some Structural Analyses Methods used for the Test Pavement in the Danish Road Testing Machine

    DEFF Research Database (Denmark)

    Baltzer, S.; Zhang, W.; Macdonald, R.;

    1998-01-01

    Performance Study, is to develop an improved mechanistic subgrade failure criterion.Simulated traffic loads were applied between June and December 1997 by a dual tyre loading cart within a climate chamber maintained at a constant temperature. Three load levels (40 kN, 50 kN and 60 kN) were applied. In all...... three test series, 50000 load repetitions were applied at each load level, and the test chamber temperature was maintained at approximately 25 degree C.Instruments installed in the test pavement included: Strain measuring sensors (LVDT Soil Strain Deformation Transducers and Asphalt Strain Gauges), Soil...... Pressure Cells, Thermistors and Pore Pressure Sensors. Routine monitoring of instrument responses and surface profiles with a Profilometer and FWD/LWD structural testing were undertaken at regular intervals during the construction and load testing programmes.This paper compares various structural analysis...

  15. 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.

  16. INFLUENCE OF BIOPRETREATMENT ON THE CHARACTER OF CORN STOVER LIGNIN AS SHOWN BY THERMOGRAVIMETRIC AND CHEMICAL STRUCTURAL ANALYSES

    OpenAIRE

    Xuewei Yang; Yelin Zeng; Xiaoyu Zhang

    2010-01-01

    The effect of corn stover lignin structure alteration caused by white-rot fungi pretreatment on the pyrolysis kinetics was studied by FTIR and TG/DTA. Results showed that biopretreatment had a remarkable effect on lignin pyrolysis. Biopretreatment can decrease the activation energy and increase the pre-exponential factor in the initial stage of pyrolysis, which makes it possible to start the lignin pyrolysis at a relatively gentle condition and improve the availability of biomass pyrolysis as...

  17. A structure-based repertoire of manual gestures in wild chimpanzees: statistical analyses of a graded communication system

    OpenAIRE

    Roberts, Anna Ilona; Vick, Sarah-Jane; Roberts, Sam George Bradley; Buchanan-Smith, Hannah M.; Zuberbühler, Klaus

    2014-01-01

    Great ape gestural communication is considered important in understanding the evolution of human language as these share important features, namely, flexible and intentional signal use. Although gestural repertoires have been compiled for captive and wild primates, reports are largely qualitative. We quantify the morphological structure and variation of gestural signals identified in the repertoire of a community of wild chimpanzees. Gestures were classified on the basis of 29 morphological f...

  18. 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.

  19. Integrated chemical and multi-scale structural analyses for the processes of acid pretreatment and enzymatic hydrolysis of corn stover.

    Science.gov (United States)

    Chen, Longjian; Li, Junbao; Lu, Minsheng; Guo, Xiaomiao; Zhang, Haiyan; Han, Lujia

    2016-05-01

    Corn stover was pretreated with acid under moderate conditions (1.5%, w/w, 121°C, 60min), and kinetic enzymolysis experiments were performed on the pretreated substrate using a mixture of Celluclast 1.5L (20FPU/g dry substrate) and Novozyme 188 (40CBU/g dry substrate). Integrated chemical and multi-scale structural methods were then used to characterize both processes. Chemical analysis showed that acid pretreatment removed considerable hemicellulose (from 19.7% in native substrate to 9.28% in acid-pretreated substrate) and achieved a reasonably high conversion efficiency (58.63% of glucose yield) in the subsequent enzymatic hydrolysis. Multi-scale structural analysis indicated that acid pretreatment caused structural changes via cleaving acetyl linkages, solubilizing hemicellulose, relocating cell wall surfaces and enlarging substrate porosity (pore volume increased from 0.0067cm(3)/g in native substrate to 0.019cm(3)/g in acid-pretreated substrate), thereby improving the polysaccharide digestibility. PMID:26876990

  20. Characterization of Influenza Vaccine Hemagglutinin Complexes by Cryo-Electron Microscopy and Image Analyses Reveals Structural Polymorphisms

    Science.gov (United States)

    McCraw, Dustin M.; Gallagher, John R.

    2016-01-01

    Influenza virus afflicts millions of people worldwide on an annual basis. There is an ever-present risk that animal viruses will cross the species barrier to cause epidemics and pandemics resulting in great morbidity and mortality. Zoonosis outbreaks, such as the H7N9 outbreak, underscore the need to better understand the molecular organization of viral immunogens, such as recombinant influenza virus hemagglutinin (HA) proteins, used in influenza virus subunit vaccines in order to optimize vaccine efficacy. Here, using cryo-electron microscopy and image analysis, we show that recombinant H7 HA in vaccines formed macromolecular complexes consisting of variable numbers of HA subunits (range, 6 to 8). In addition, HA complexes were distributed across at least four distinct structural classes (polymorphisms). Three-dimensional (3D) reconstruction and molecular modeling indicated that HA was in the prefusion state and suggested that the oligomerization and the structural polymorphisms observed were due to hydrophobic interactions involving the transmembrane regions. These experiments suggest that characterization of the molecular structures of influenza virus HA complexes used in subunit vaccines will lead to better understanding of the differences in vaccine efficacy and to the optimization of subunit vaccines to prevent influenza virus infection. PMID:27074939

  1. Otolith Trace Elemental Analyses of South American Austral Hake, Merluccius australis (Hutton, 1872) Indicates Complex Salinity Structuring on their Spawning/Larval Grounds

    Science.gov (United States)

    Brickle, Paul; Schuchert, Pia C.; Arkhipkin, Alexander I.; Reid, Malcolm R.; Randhawa, Haseeb S.

    2016-01-01

    Trace element signatures of otolith edges and cores from 335 austral hake (Merluccius autralis) were analysed using LA-ICPMS from samples collected in Chilean and Falkland Islands' waters, in order to provide potential insights into stock discrimination and migrations. Fish were caught in two locations in Chile and four locations in the south-west of the Falkland Islands Shelf. Univariate and multivariate analyses of trace element signatures in the edges of otoliths, representing adult fish, were not able to distinguish between samples collected in Chile and the Falkland Islands. Cluster analyses based on Ward’s similarity/distance metric suggested that it was possible to identify two groups from core signatures. Further analyses of this perceived clustering of the core concentrations revealed that this was largely due to the wide spread of Sr/Ca ratios in the otoliths’ cores. Gaussian finite mixtures using MCMC methods confirmed that Sr/Ca ratios form two separate distributions with significantly different mean values while concentrations of other elements showed no evidence of the presence of two or more distributions. The results suggest that there is only one spawning stock of austral hake with spawning situated in and around the Chilean fjords (43°30’S– 47°S) and the variation in Sr/Ca ratios likely suggests complex salinity structuring in this area. PMID:26727274

  2. Otolith Trace Elemental Analyses of South American Austral Hake, Merluccius australis (Hutton, 1872 Indicates Complex Salinity Structuring on their Spawning/Larval Grounds.

    Directory of Open Access Journals (Sweden)

    Paul Brickle

    Full Text Available Trace element signatures of otolith edges and cores from 335 austral hake (Merluccius autralis were analysed using LA-ICPMS from samples collected in Chilean and Falkland Islands' waters, in order to provide potential insights into stock discrimination and migrations. Fish were caught in two locations in Chile and four locations in the south-west of the Falkland Islands Shelf. Univariate and multivariate analyses of trace element signatures in the edges of otoliths, representing adult fish, were not able to distinguish between samples collected in Chile and the Falkland Islands. Cluster analyses based on Ward's similarity/distance metric suggested that it was possible to identify two groups from core signatures. Further analyses of this perceived clustering of the core concentrations revealed that this was largely due to the wide spread of Sr/Ca ratios in the otoliths' cores. Gaussian finite mixtures using MCMC methods confirmed that Sr/Ca ratios form two separate distributions with significantly different mean values while concentrations of other elements showed no evidence of the presence of two or more distributions. The results suggest that there is only one spawning stock of austral hake with spawning situated in and around the Chilean fjords (43°30'S- 47°S and the variation in Sr/Ca ratios likely suggests complex salinity structuring in this area.

  3. Otolith Trace Elemental Analyses of South American Austral Hake, Merluccius australis (Hutton, 1872) Indicates Complex Salinity Structuring on their Spawning/Larval Grounds.

    Science.gov (United States)

    Brickle, Paul; Schuchert, Pia C; Arkhipkin, Alexander I; Reid, Malcolm R; Randhawa, Haseeb S

    2016-01-01

    Trace element signatures of otolith edges and cores from 335 austral hake (Merluccius autralis) were analysed using LA-ICPMS from samples collected in Chilean and Falkland Islands' waters, in order to provide potential insights into stock discrimination and migrations. Fish were caught in two locations in Chile and four locations in the south-west of the Falkland Islands Shelf. Univariate and multivariate analyses of trace element signatures in the edges of otoliths, representing adult fish, were not able to distinguish between samples collected in Chile and the Falkland Islands. Cluster analyses based on Ward's similarity/distance metric suggested that it was possible to identify two groups from core signatures. Further analyses of this perceived clustering of the core concentrations revealed that this was largely due to the wide spread of Sr/Ca ratios in the otoliths' cores. Gaussian finite mixtures using MCMC methods confirmed that Sr/Ca ratios form two separate distributions with significantly different mean values while concentrations of other elements showed no evidence of the presence of two or more distributions. The results suggest that there is only one spawning stock of austral hake with spawning situated in and around the Chilean fjords (43°30'S- 47°S) and the variation in Sr/Ca ratios likely suggests complex salinity structuring in this area. PMID:26727274

  4. 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. PMID:23523397

  5. Structural and functional analyses of Barth syndrome-causing mutations and alternative splicing in the tafazzin acyltransferase domain

    Directory of Open Access Journals (Sweden)

    Atsushi Hijikata

    2015-06-01

    Full Text Available Tafazzin is a mitochondrial phospholipid transacylase, and its mutations cause Barth syndrome (BTHS. Human tafazzin gene produces four distinct alternatively spliced transcripts. To understand the molecular mechanisms of tafazzin deficiency, we performed an atomic resolution analysis of the influence of the BTHS mutations and of alternative splicing on the structure and function of tafazzin. From the three-dimensional (3D homology modeling of tafazzin, we identified candidate amino acid residues that contribute to cardiolipin binding and to mitochondrial membrane associations that facilitate acyl-transfer reactions. Primate specific exon 5, which is alternatively spliced, is predicted to correspond to an intrinsically unstructured region in the protein. We proposed that this region should change the substrate-binding affinity and/or contribute to primate-specific molecular interactions. Exon 7, another alternatively spliced exon, encodes a region forming a part of the putative substrate-binding cleft, suggesting that the gene products lacking exon 7 will lose their substrate-binding ability. We demonstrate a clear localization of the BTHS mutations at residues responsible for membrane association, substrate binding, and the conformational stability of tafazzin. These findings provide new insights into the function of defective tafazzin and the pathogenesis of BTHS at the level of protein 3D structure and the evolution of alternatively spliced exons in primates.

  6. Structural and functional analyses of Barth syndrome-causing mutations and alternative splicing in the tafazzin acyltransferase domain.

    Science.gov (United States)

    Hijikata, Atsushi; Yura, Kei; Ohara, Osamu; Go, Mitiko

    2015-06-01

    Tafazzin is a mitochondrial phospholipid transacylase, and its mutations cause Barth syndrome (BTHS). Human tafazzin gene produces four distinct alternatively spliced transcripts. To understand the molecular mechanisms of tafazzin deficiency, we performed an atomic resolution analysis of the influence of the BTHS mutations and of alternative splicing on the structure and function of tafazzin. From the three-dimensional (3D) homology modeling of tafazzin, we identified candidate amino acid residues that contribute to cardiolipin binding and to mitochondrial membrane associations that facilitate acyl-transfer reactions. Primate specific exon 5, which is alternatively spliced, is predicted to correspond to an intrinsically unstructured region in the protein. We proposed that this region should change the substrate-binding affinity and/or contribute to primate-specific molecular interactions. Exon 7, another alternatively spliced exon, encodes a region forming a part of the putative substrate-binding cleft, suggesting that the gene products lacking exon 7 will lose their substrate-binding ability. We demonstrate a clear localization of the BTHS mutations at residues responsible for membrane association, substrate binding, and the conformational stability of tafazzin. These findings provide new insights into the function of defective tafazzin and the pathogenesis of BTHS at the level of protein 3D structure and the evolution of alternatively spliced exons in primates. PMID:25941633

  7. Feeling defects in Zircaloy by extended X-ray absorption fine structure and muon spin relaxation analyses

    International Nuclear Information System (INIS)

    The defects generated by plastic deformation of Zircaloy by cold rolling and the resulting sub-nanoscopic environment are investigated using results provided by extended X-ray fine structure (EXAFS) spectroscopy and muon spin relaxation (MuSR) analysis. EXAFS allows to visualizing the atomic environment as a function of the induced strain. The defects are deduced from the next neighbour number determined shell per shell by the EXAFS analysis. An additional dimension is added with the study of muon properties in the material, namely the possibility of examining different states of the defect centres over the sub-nanometric scale. Muon spin relaxation analysis provides information about the local order around the muon and about possible muon diffusion in the material. Combining these techniques allows to completing the complex picture yields by the defect creation yielded by plastic deformation due to cold rolling in Zircaloy

  8. 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.

  9. Structural analyses of the Slm1-PH domain demonstrate ligand binding in the non-canonical site.

    Directory of Open Access Journals (Sweden)

    Kanchan Anand

    Full Text Available BACKGROUND: Pleckstrin homology (PH domains are common membrane-targeting modules and their best characterized ligands are a set of important signaling lipids that include phosphatidylinositol phosphates (PtdInsPs. PH domains recognize PtdInsPs through two distinct mechanisms that use different binding pockets on opposite sides of the β-strands 1 and 2: i a canonical binding site delimited by the β1-β2 and β3-β4loops and ii a non-canonical binding site bordered by the β1-β2 and β5-β6loops. The PH domain-containing protein Slm1 from budding yeast Saccharomyces cerevisiae is required for actin cytoskeleton polarization and cell growth. We recently reported that this PH domain binds PtdInsPs and phosphorylated sphingolipids in a cooperative manner. PRINCIPAL FINDINGS: To study the structural basis for the Slm1-PH domain (Slm1-PH specificity, we co-crystallized this domain with different soluble compounds that have structures analogous to anionic lipid head groups of reported Slm1 ligands: inositol 4-phosphate, which mimics phosphatidylinositol-4-phosphate (PtdIns(4P, and phosphoserine as a surrogate for dihydrosphingosine 1-phosphate (DHS1-P. We found electron densities for the ligands within the so-called non-canonical binding site. An additional positively charged surface that contacts a phosphate group was identified next to the canonical binding site. CONCLUSIONS: Our results suggest that Slm1-PH utilizes a non-canonical binding site to bind PtdInsPs, similar to that described for the PH domains of β-spectrin, Tiam1 and ArhGAP9. Additionally, Slm1-PH may have retained an active canonical site. We propose that the presence of both a canonical and a non-canonical binding pocket in Slm1-PH may account for the cooperative binding to PtdInsPs and DHS-1P.

  10. Enhancement in the structure quality of ZnO nanorods by diluted Co dopants: Analyses via optical second harmonic generation

    International Nuclear Information System (INIS)

    We report a systematic study about the effect of cobalt concentration in the growth solution over the crystallization, growth, and optical properties of hydrothermally synthesized Zn1−xCoxO [0 ≤ x ≤ 0.40, x is the weight (wt.) % of Co in the growth solution] nanorods. Dilute Co concentration of 1 wt. % in the growth solution enhances the bulk crystal quality of ZnO nanorods, and high wt. % leads to distortion in the ZnO lattice that depresses the crystallization, growth as well as the surface structure quality of ZnO. Although, Co concentration in the growth solution varies from 1 to 40 wt. %, the real doping concentration is limited to 0.28 at. % that is due to the low growth temperature of 80 °C. The enhancement in the crystal quality of ZnO nanorods at dilute Co concentration in the solution is due to the strain relaxation that is significantly higher for ZnO nanorods prepared without, and with high wt. % of Co in the growth solution. Second harmonic generation is used to investigate the net dipole distribution from these coatings, which provides detailed information about bulk and surface structure quality of ZnO nanorods at the same time. High quality ZnO nanorods are fabricated by a low-temperature (80 °C) hydrothermal synthesis method, and no post synthesis treatment is needed for further crystallization. Therefore, this method is advantageous for the growth of high quality ZnO coatings on plastic substrates that may lead toward its application in flexible electronics

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

    Science.gov (United States)

    Edger, Patrick P; Tang, Michelle; Bird, Kevin A; Mayfield, Dustin R; Conant, Gavin; Mummenhoff, Klaus; Koch, Marcus A; Pires, J Chris

    2014-01-01

    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. PMID:24984034

  12. 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.

  13. 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

  14. Phase structure of two-color QCD at real and imaginary chemical potentials: Lattice simulations and model analyses

    Science.gov (United States)

    Makiyama, Takahiro; Sakai, Yuji; Saito, Takuya; Ishii, Masahiro; Takahashi, Junichi; Kashiwa, Kouji; Kouno, Hiroaki; Nakamura, Atsushi; Yahiro, Masanobu

    2016-01-01

    We investigate the phase structure of two-color QCD at both real and imaginary chemical potentials (μ ), performing lattice simulations and analyzing the data with the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model. Lattice QCD simulations are done on an 83×4 lattice with the clover-improved two-flavor Wilson fermion action and the renormalization-group-improved Iwasaki gauge action. We test the analytic continuation of physical quantities from imaginary μ to real μ by comparing lattice QCD results calculated at real μ with the results of an analytic function, the coefficients of which are determined from lattice QCD results at imaginary μ . We also test the validity of the PNJL model by comparing model results with lattice QCD ones. The PNJL model is good in the deconfinement region, but less accurate in the transition and confinement regions. This problem is cured by introducing the baryon degree of freedom to the model. It is also found that the vector-type four-quark interaction is necessary to explain lattice data on the quark number density.

  15. Phase structure of two-color QCD at real and imaginary chemical potentials; lattice simulations and model analyses

    CERN Document Server

    Makiyama, Takahiro; Saito, Takuya; Ishii, Masahiro; Takahashi, Junichi; Kashiwa, Kouji; Kouno, Hiroaki; Nakamura, Atsushi; Yahiro, Masanobu

    2015-01-01

    We investigate the phase structure of two-color QCD at both real and imaginary chemical potentials mu, performing lattice simulations and analyzing the data with the Polyakov-loop extended Nambu--Jona-Lasinio (PNJL) model. Lattice QCD simulations are done on an 8^3 times 4 lattice with the clover-improved two-flavor Wilson fermion action and the renormalization-group improved Iwasaki gauge action. We test the analytic continuation of physical quantities from imaginary mu to real mu by comparing lattice QCD results calculated at real mu with the result of analytic function the coefficients of which are determined from lattice QCD results at imaginary mu. We also test the validity of the PNJL model by comparing model results with lattice QCD ones. The PNJL model is good in the deconfinement region, but less accurate in the transition and confinement regions. This problem is improved by introducing the baryon degree of freedom to the model. It is also found that the vector-type four-quark interaction is necessar...

  16. Electron Backscatter Diffraction: An Important Tool for Analyses of Structure-Property Relationships in Thin-Film Solar Cells

    Science.gov (United States)

    Abou-Ras, D.; Kavalakkatt, J.; Nichterwitz, M.; Schäfer, N.; Harndt, S.; Wilkinson, A. J.; Tsyrulin, K.; Schulz, H.; Bauer, F.

    2013-09-01

    The present work gives an overview of the application of electron backscatter diffraction (EBSD) in the field of thin-film solar cells, which consist of stacks of polycrystalline layers on various rigid or flexible substrates. EBSD provides access to grain-size and local-orientation distributions, film textures, and grain-boundary types. By evaluation of the EBSD patterns within individual grains of the polycrystalline solar cell layers, microstrain distributions also can be obtained. These microstructural properties are of considerable interest for research and development of thin-film solar cells. Moreover, EBSD may be performed three-dimensionally, by alternating slicing of cross sections in a focused ion-beam machine and EBSD acquisition. To relate the microstructural properties to the electrical properties of individual layers as well as to the device performances of corresponding solar cells, EBSD can be combined with electron-beam-induced current and cathodoluminescence measurements and with various scanning-probe microscopy methods such as Kelvin-probe force, scanning spreading resistance, or scanning capacitance microscopy on identical specimen positions. Together with standard device characterization of thin-film solar cells, these scanning microscopy measurements provide the means for extensive analysis of structure-property relationships in solar-cell stacks with polycrystalline layers.

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

    OpenAIRE

    Morishita, Takahiro; Abramson, Louis E.; Treu, Tommaso; Vulcani, Benedetta; Schmidt, Kasper B.; Dressler, Alan; Poggianti, Bianca; Malkan, Matthew A.; Xin WANG; 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) ...

  18. 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. PMID:20939550

  19. Structural Changes of Desertified and Managed Shrubland Landscapes in Response to Drought: Spectral, Spatial and Temporal Analyses

    Directory of Open Access Journals (Sweden)

    Tarin Paz-Kagan

    2014-08-01

    Full Text Available Drought events cause changes in ecosystem function and structure by reducing the shrub abundance and expanding the biological soil crusts (biocrusts. This change increases the leakage of nutrient resources and water into the river streams in semi-arid areas. A common management solution for decreasing this loss of resources is to create a runoff-harvesting system (RHS. The objective of the current research is to apply geo-information techniques, including remote sensing and geographic information systems (GIS, on the watershed scale, to monitor and analyze the spatial and temporal changes in response to drought of two source-sink systems, the natural shrubland and the human-made RHSs in the semi-arid area of the northern Negev Desert, Israel. This was done by evaluating the changes in soil, vegetation and landscape cover. The spatial changes were evaluated by three spectral indices: Normalized Difference Vegetation Index (NDVI, Crust Index (CI and landscape classification change between 2003 and 2010. In addition, we examined the effects of environmental factors on NDVI, CI and their clustering after successive drought years. The results show that vegetation cover indicates a negative ∆NDVI change due to a reduction in the abundance of woody vegetation. On the other hand, the soil cover change data indicate a positive ∆CI change due to the expansion of the biocrusts. These two trends are evidence for degradation processes in terms of resource conservation and bio-production. A considerable part of the changed area (39% represents transitions between redistribution processes of resources, such as water, sediments, nutrients and seeds, on the watershed scale. In the pre-drought period, resource redistribution mainly occurred on the slope scale, while in the post-drought period, resource redistribution occurred on the whole watershed scale. However, the RHS management is effective in reducing leakage, since these systems are located on the

  20. Structure of the nervous system of Myzostoma cirriferum (Annelida) as revealed by immunohistochemistry and cLSM analyses.

    Science.gov (United States)

    Müller, M C; Westheide, W

    2000-08-01

    The nervous systems of juvenile and adult Myzostoma cirriferum Leuckart, 1836, were stained with antisera against 5-HT (5-hydroxytryptamine, serotonin), FMRFamide, and acetylated alpha-tubulin in combination with the indirect fluorescence technique and analyzed by confocal laser scanning microscopy. The central nervous system consists of two small cerebral ganglia, connected by a dorsal commissure, a ventral nerve mass, and a pair of long circumesophageal connectives joining the former to the latter. The two neuropil cords within the ventral nerve mass curve outward and are joined to one another anteriorly and posteriorly. They are connected by 12 commissures, forming a ladder-like system. A single median nerve runs along the midventral axis. In addition to the circumesophageal connectives, 11 peripheral nerves arise from each main cord. The first innervates the anterior body region. The others form five groups of two nerves each, the first and thicker nerve of which is the parapodial nerve, innervating the parapodium and two corresponding cirri. Except for those in the most posterior group, the second nerves innervate the lateral organs and the body periphery. Serotonergic perikarya are arranged in six more or less distinct clusters, the first lying in front of and the other five between the main nerve cords. The distribution pattern of the FMRFamidergic perikarya is less clear and the somata lie between and outside the cords. One pair of dorsolateral longitudinal nerves was visualized by tubulin staining. Peripheral nerves and the commissures, in particular, demonstrate a segmental organization of the nervous system of M. cirriferum. Furthermore, their arrangement indicates that the body consists of six segments, the first of which is identifiable only by the first pair of peripheral nerves, the first two commissures, and the anteriormost ventral ganglion. The nervous system M. cirriferum thus exhibits several structures also found in the basic plan of the

  1. 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

  2. Rationale for the closure of the soil density unreviewed safety question and recommended structural analyses improvements for the Tank Waste Remidiation System underground storage facilities

    International Nuclear Information System (INIS)

    The purpose of this report is twofold. First, this report documents the technical evaluation supporting the Project Hanford Management Contract (PHMC) contractor recommendation to close the Unreviewed Safety Question (USQ) as originally evaluated in TF-94-0260, Soil Compaction Test Data Indicates Soil Density in Excess of Density Used in Tank Qualification Analysis for AP Tank Farm. Second, this report describes the status of existing structural analyses for the Tank Waste Remediation System (TWRS) waste storage structures and outlines the associated technical upgrades being considered by the contractor. This second feature of the report serves to communicate the distinction between the soil density issue which is the topic of the open USQ and other technical issues which are important to the contractor from a programmatic standpoint. Contractor actions to address the latter technical issues would support improvements in day-to-day operations (e.g., provide possible relaxations in soil load restrictions) but are not necessary to close the soil density USQ. Section 2.0 of this report documents the rationale for the PHMC contractor recommendation to the Department of Energy (DOE) to close the soil density USQ. Section 3.0 documents the recommended structural analyses improvements for the double-shell tanks (DSTs) which are the structures associated with the soil density USQ. Sections 4.0 and 5.0 provide, for completeness, the same information for single-shell tanks (SSTs), double-contained receiver tanks (DCRTs), catch tanks and inactive miscellaneous underground storage tanks (IMUSTs). Section 6.0 provides the conclusions of this report

  3. Determining the Architecture of a Protein-DNA Complex by Combining FeBABE Cleavage Analyses, 3-D Printed Structures, and the ICM Molsoft Program.

    Science.gov (United States)

    James, Tamara; Hsieh, Meng-Lun; Knipling, Leslie; Hinton, Deborah

    2015-01-01

    Determining the structure of a protein-DNA complex can be difficult, particularly if the protein does not bind tightly to the DNA, if there are no homologous proteins from which the DNA binding can be inferred, and/or if only portions of the protein can be crystallized. If the protein comprises just a part of a large multi-subunit complex, other complications can arise such as the complex being too large for NMR studies, or it is not possible to obtain the amounts of protein and nucleic acids needed for crystallographic analyses. Here, we describe a technique we used to map the position of an activator protein relative to the DNA within a large transcription complex. We determined the position of the activator on the DNA from data generated using activator proteins that had been conjugated at specific residues with the chemical cleaving reagent, iron bromoacetamidobenzyl-EDTA (FeBABE). These analyses were combined with 3-D models of the available structures of portions of the activator protein and B-form DNA to obtain a 3-D picture of the protein relative to the DNA. Finally, the Molsoft program was used to refine the position, revealing the architecture of the protein-DNA within the transcription complex. PMID:26404142

  4. Co-occurrence analyses show that non-random community structure is disrupted by fire in two groups of soil arthropods (Isopoda Oniscidea and Collembola)

    Science.gov (United States)

    Pitzalis, Monica; Luiselli, Luca; Bologna, Marco A.

    2010-01-01

    In this paper, we tested the hypothesis that natural catastrophes may destroy non-random community structure in natural assemblages of organisms. As a study system, we selected fire as the catastrophic event, and two groups of soil arthropods (Collembola and Isopoda Oniscidea) as target organisms. By co-occurrence analyses and Monte Carlo simulations of niche overlap analysis (C-score, with fixed-equiprobable model; RA2 and RA3 algorithms) we evaluated whether the community structure of these two groups were random/non-random at three unburnt sites and at three neighbour burnt sites that were devastated by a large-scale fire in summer 2000. Both taxa experienced a remarkable reduction in the number of species sampled in burnt versus unburnt sites, but the difference among sites was not statistically significant for Oniscidea. We determined that community structure was clearly non-random at the unburnt sites for both Collembola (according to RA3 algorithm) and Isopoda Oniscidea (according to co-occurrence analysis) and that, as predicted by theory, the catastrophic event did deeply alter the community structure by removing the non-random organization of the species interactions. We also observed a shift from segregation to aggregation/randomness in soil arthropods communities affected by fire, a pattern that was similar to that observed in natural communities of organisms perturbed by the introduction of alien species, thus indicating that this pattern may be generalizable when alteration of communities may occur.

  5. 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

  6. 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.

  7. Structural and functional analyses of beta-glucosidase 3B from Thermotoga neapolitana: a thermostable three-domain representative of glycoside hydrolase 3.

    Science.gov (United States)

    Pozzo, Tania; Pasten, Javier Linares; Karlsson, Eva Nordberg; Logan, Derek T

    2010-04-01

    Based on sequence and phylogenetic analyses, glycoside hydrolase (GH) family 3 can be divided into several clusters that differ in the length of their primary sequences. However, structural data on representatives of GH3 are still scarce, since only three of their structures are known and only one of them has been thoroughly characterized-that of an exohydrolase from barley. To allow a deeper structural understanding of the GH3 family, we have determined the crystal structure of the thermostable beta-glucosidase from Thermotoga neapolitana, which has potentially important applications in environmentally friendly industrial biosynthesis at a resolution of 2.05 A. Selected active-site mutants have been characterized kinetically, and the structure of the mutant D242A is presented at 2.1 A resolution. Bgl3B from Th. neapolitana is the first example of a GH3 glucosidase with a three-domain structure. It is composed of an (alpha/beta)(8) domain similar to a triose phosphate isomerase barrel, a five-stranded alpha/beta sandwich domain (both of which are important for active-site organization), and a C-terminal fibronectin type III domain of unknown function. Remarkably, the direction of the second beta-strand of the triose phosphate isomerase barrel domain is reversed, which has implications for the active-site shape. The active site, at the interface of domains 1 and 2, is much more open to solvent than the corresponding site in the structurally homologous enzyme from barley, and only the -1 site is well defined. The structures, in combination with kinetic studies of active-site variants, allow the identification of essential catalytic residues (the nucleophile D242 and the acid/base E458), as well as other residues at the -1 subsite, including D58 and W243, which, by mutagenesis, are shown to be important for substrate accommodation/interaction. The position of the fibronectin type III domain excludes a direct participation of this domain in the recognition of small

  8. Identifying gender specific risk/need areas for male and female juvenile offenders: Factor analyses with the Structured Assessment of Violence Risk in Youth (SAVRY).

    Science.gov (United States)

    Hilterman, Ed L B; Bongers, Ilja; Nicholls, Tonia L; van Nieuwenhuizen, Chijs

    2016-02-01

    By constructing risk assessment tools in which the individual items are organized in the same way for male and female juvenile offenders it is assumed that these items and subscales have similar relevance across males and females. The identification of criminogenic needs that vary in relevance for 1 of the genders, could contribute to more meaningful risk assessments, especially for female juvenile offenders. In this study, exploratory factor analyses (EFA) on a construction sample of male (n = 3,130) and female (n = 466) juvenile offenders were used to aggregate the 30 items of the Structured Assessment of Violence Risk in Youth (SAVRY) into empirically based risk/need factors and explore differences between genders. The factor models were cross-validated through confirmatory factor analyses (CFA) on a validation sample of male (n = 2,076) and female (n = 357) juvenile offenders. In both the construction sample and the validation sample, 5 factors were identified: (a) Antisocial behavior; (b) Family functioning; (c) Personality traits; (d) Social support; and (e) Treatability. The male and female models were significantly different and the internal consistency of the factors was good, both in the construction sample and the validation sample. Clustering risk/need items for male and female juvenile offenders into meaningful factors may guide clinicians in the identification of gender-specific treatment interventions. PMID:26390056

  9. Dimeric and polymeric mercury(II) complexes of 1-methyl-1,2,3,4-tetrazole-5-thiol: Synthesis, crystal structure, spectroscopic characterization, and thermal analyses

    Science.gov (United States)

    Taheriha, Mohammad; Ghadermazi, Mohammad; Amani, Vahid

    2016-03-01

    Two-dimensional coordination polymer of [Hg(μ3-mmtz)2]n (1) and centrosymmetric dinuclear complexes of {[H2en][Hg2(mmtz)4(μ-Br)2]} (2) and {[H2en][Hg2(mmtz)4(μ-I)2]} (3) (where Hmmtz is 1-methyl-1,2,3,4-tetrazole-5-thiol and en is ethylene diamine) were synthesized from the reaction of Hmmtz and en with HgCl2, HgBr2 and HgI2, respectively, in CH3OH. Complex 1 was also synthesized from the reaction of Hmmtz and en with HgX2 (X = OAc and SCN) in CH3OH. These three complexes were thoroughly characterized by elemental analysis (CHN), thermal gravimetric analysis (TGA), differential thermal analyses (DTA), infrared, UV-vis, 1H NMR, and luminescence spectroscopy, and their structures were determined by single-crystal X-ray diffraction.

  10. Controlled cobalt doping in the spinel structure of magnetosome magnetite: new evidences from element- and site-specific X-ray magnetic circular dichroism analyses.

    Science.gov (United States)

    Li, Jinhua; Menguy, Nicolas; Arrio, Marie-Anne; Sainctavit, Philippe; Juhin, Amélie; Wang, Yinzhao; Chen, Haitao; Bunau, Oana; Otero, Edwige; Ohresser, Philippe; Pan, Yongxin

    2016-08-01

    The biomineralization of magnetite nanocrystals (called magnetosomes) by magnetotactic bacteria (MTB) has attracted intense interest in biology, geology and materials science due to the precise morphology of the particles, the chain-like assembly and their unique magnetic properties. Great efforts have been recently made in producing transition metal-doped magnetosomes with modified magnetic properties for a range of applications. Despite some successful outcomes, the coordination chemistry and magnetism of such metal-doped magnetosomes still remain largely unknown. Here, we present new evidences from X-ray magnetic circular dichroism (XMCD) for element- and site-specific magnetic analyses that cobalt is incorporated in the spinel structure of the magnetosomes within Magnetospirillum magneticum AMB-1 through the replacement of Fe(2+) ions by Co(2+) ions in octahedral (Oh) sites of magnetite. Both XMCD at Fe and Co L2,3 edges, and energy-dispersive X-ray spectroscopy on transmission electron microscopy analyses reveal a heterogeneous distribution of cobalt occurring either in different particles or inside individual particles. Compared with non-doped one, cobalt-doped magnetosome sample has lower Verwey transition temperature and larger magnetic coercivity, related to the amount of doped cobalt. This study also demonstrates that the addition of trace cobalt in the growth medium can significantly improve both the cell growth and the magnetosome formation within M. magneticum AMB-1. Together with the cobalt occupancy within the spinel structure of magnetosomes, this study indicates that MTB may provide a promising biomimetic system for producing chains of metal-doped single-domain magnetite with an appropriate tuning of the magnetic properties for technological and biomedical applications. PMID:27512138

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

    Directory of Open Access Journals (Sweden)

    Jyotica Batra

    Full Text Available 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.

  12. 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

  13. Structural and mutational analyses of cis-acting sequences in the 5'-untranslated region of satellite RNA of bamboo mosaic potexvirus

    International Nuclear Information System (INIS)

    The satellite RNA of Bamboo mosaic virus (satBaMV) contains on open reading frame for a 20-kDa protein that is flanked by a 5'-untranslated region (UTR) of 159 nucleotides (nt) and a 3'-UTR of 129 nt. A secondary structure was predicted for the 5'-UTR of satBaMV RNA, which folds into a large stem-loop (LSL) and a small stem-loop. Enzymatic probing confirmed the existence of LSL (nt 8-138) in the 5'-UTR. The essential cis-acting sequences in the 5'-UTR required for satBaMV RNA replication were determined by deletion and substitution mutagenesis. Their replication efficiencies were analyzed in Nicotiana benthamiana protoplasts and Chenopodium quinoa plants coinoculated with helper BaMV RNA. All deletion mutants abolished the replication of satBaMV RNA, whereas mutations introduced in most of the loop regions and stems showed either no replication or a decreased replication efficiency. Mutations that affected the positive-strand satBaMV RNA accumulation also affected the accumulation of negative-strand RNA; however, the accumulation of genomic and subgenomic RNAs of BaMV were not affected. Moreover, covariation analyses of natural satBaMV variants provide substantial evidence that the secondary structure in the 5'-UTR of satBaMV is necessary for efficient replication

  14. 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.

  15. The use of IR, magnetism, reflectance, and mass spectra together with thermal analyses in structure investigation of codeine phosphate complexes of d-block elements

    Science.gov (United States)

    Zayed, M. A.; El-shahat, M. F.; Abdullah, S. M.

    2005-06-01

    Codeine is an analgesic with uses similar to morphines, but it is of much less effect, i.e., it had a mild sedative effect; codeine is usually used as the phosphate form (Cod.P) and is often administrated by mouth with aspirin of paracetamol. Due to its serious use, if it is in large dose, attention is paid in this research to the synthesis and stereochemistry of new iron, cobalt, nickel, copper, and zinc complexes of this drug in both solution and the solid states. The spectra of these complexes in solution and the study of their stoichiometry refer to the formation of 1:1 ratio of metal (M) to ligand (L). The steriochemical structures of the solid complexes were studied on the basis of their analytical, spectroscopic, magnetic, and thermal data. Infrared spectra proved the presence of M sbnd O bonds. Magnetic susceptibility and solid reflectance spectral measurements were used to infer the structures. The prepared complexes were found to have the general formulae [ML(OH) x(H 2O) y](H 2O) zH 3PO 4, M: Co(II), Ni(II), and Cu(II), x = 1, y = 0, z = 0; M: Fe(II), x = 1, y = 2, z = 1; Fe(III), x = 2, y = 1, z = 0; Co(III), x = 0, y = 2, z = 1; Zn(II), x = 1, y = 0, z = 3; and L: (Cod.P) of the general formula C 18H 24NO 7P (anhydrate). Octahedral, tetrahedral, and square planer structures were proposed for these complexes depending upon the magnetic and reflectance data and were confirmed by detailed mass and thermal analyses comparative studies.

  16. A systematic study of coordinate precision in X-ray structure analyses. Pt. 1. Descriptive statistics and predictive estimates of E.S.D.'s for C atoms

    International Nuclear Information System (INIS)

    This study examines the relationship of structure precision, as expressed by the e.s.d.'s of atomic coordinates, to the R factor and chemical constitution of a given crystal structure. On the basis of the work of Cruickshank [Acta Cryst. (1960), 13, 744-777], it is shown that anti σ(C-C), the mean e.s.d. of a C-C bond length in a structure, or anti σ(C), the mean isotropic e.s.d. of a C atom, can be estimated by expressions of the form anti σ = kRN1/2c. Here, Nc is taken as ΣZ2i/Z2C, with the atomic numbers Zi summed over all atoms in the asymmetric unit and ZC = 6. It is also shown that anti σ(E), the mean isotropic e.s.d. of a non-C atom, can be estimated by anti σ(E) kRN1/2c/ZE. Values of k were determined by regression analyses based on subsets of 25 984 and 20 334 entries in the Cambridge Structural Database (CSD) that contain atomic coordinate e.s.d.'s. 95% of coordinate e.s.d.'s for C atoms can be estimated to within 0.005 A of their published value and 78% to within 0.0025 A. These predicted anti σ values provide useful estimates of precision for those 39 000 structures for which coordinate e.s.d.'s are not available in the CSD. Details of the diffraction experiment, which might provide an improved estimating function in Cruickshank's (1960) treatment, are not available in any CSD entries. However, values of Nr (the number of reflections) and Np (the number of parameters) used in refinement were added manually for 817 entries, and the variation of anti σ(C-C) with decreasing Nr/Np ratios is examined: there is a rapid increase in anti σ(C-C) as Nr/Np decreases below circa 6.0. A method for approximating s, the r.m.s. reciprocal radius for the reflections observed, is presented, but it is found that a function of the form anti σ(C-C) = kRN1/2c/ anti s(Nr - Np)1/2 [directly analogous to Cruickshank's (1960) equation] had only slightly improved predictive ability for this data set by comparison with functions based upon R and N1/2c alone. Possible

  17. Periodic safety analyses

    International Nuclear Information System (INIS)

    The IAEA Safety Guide 50-SG-S8 devoted to 'Safety Aspects of Foundations of Nuclear Power Plants' indicates that operator of a NPP should establish a program for inspection of safe operation during construction, start-up and service life of the plant for obtaining data needed for estimating the life time of structures and components. At the same time the program should ensure that the safety margins are appropriate. Periodic safety analysis are an important part of the safety inspection program. Periodic safety reports is a method for testing the whole system or a part of the safety system following the precise criteria. Periodic safety analyses are not meant for qualification of the plant components. Separate analyses are devoted to: start-up, qualification of components and materials, and aging. All these analyses are described in this presentation. The last chapter describes the experience obtained for PWR-900 and PWR-1300 units from 1986-1989

  18. Functional and Structural Analyses of CYP1B1 Variants Linked to Congenital and Adult-Onset Glaucoma to Investigate the Molecular Basis of These Diseases.

    Science.gov (United States)

    Banerjee, Antara; Chakraborty, Subhadip; Chakraborty, Abhijit; Chakrabarti, Saikat; Ray, Kunal

    2016-01-01

    Glaucoma, the leading cause of irreversible blindness, appears in various forms. Mutations in CYP1B1 result in primary congenital glaucoma (PCG) by an autosomal recessive mode of inheritance while it acts as a modifier locus for primary open angle glaucoma (POAG). We investigated the molecular basis of the variable phenotypes resulting from the defects in CYP1B1 by using subclones of 23 CYP1B1 mutants reported in glaucoma patients, in a cell based system by measuring the dual activity of the enzyme to metabolize both retinol and 17β-estradiol. Most variants linked to POAG showed low steroid metabolism while null or very high retinol metabolism was observed in variants identified in PCG. We examined the translational turnover rates of mutant proteins after the addition of cycloheximide and observed that the levels of enzyme activity mostly corroborated the translational turnover rate. We performed extensive normal mode analysis and molecular-dynamics-simulations-based structural analyses and observed significant variation of fluctuation in certain segmental parts of the mutant proteins, especially at the B-C and F-G loops, which were previously shown to affect the dynamic behavior and ligand entry/exit properties of the cytochrome P450 family of proteins. Our molecular study corroborates the structural analysis, and suggests that the pathologic state of the carrier of CYP1B1 mutations is determined by the allelic state of the gene. To our knowledge, this is the first attempt to dissect biological activities of CYP1B1 for correlation with congenital and adult onset glaucomas. PMID:27243976

  19. 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...

  20. Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses.

    Science.gov (United States)

    Caballero, Julio; Fernández, Michael; González-Nilo, Fernando D

    2008-06-01

    2D autocorrelation, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were undertaken for a series of pyrido[2,3-d]pyrimidin-7-ones to correlate cyclin-dependent kinase (CDK) cyclin D/CDK4 inhibition with 2D and 3D structural properties of 60 known compounds. QSAR models with considerable internal as well as external predictive ability were obtained. The relevant 2D autocorrelation descriptors for modeling CDK4/D inhibitory activity were selected by linear and nonlinear genetic algorithms (GAs) using multiple linear regression (MLR) and Bayesian-regularized genetic neural network (BRGNN) approaches, respectively. Both models showed good predictive statistics; but BRGNN model enables better external predictions. A weight-based input ranking scheme and Kohonen self-organized maps (SOMs) were carried out to interpret the final net weights. The 2D autocorrelation space brings different descriptors for CDK4/D inhibition, and suggests the atomic properties relevant for the inhibitors to interact with CDK4/D active site. CoMFA and CoMSIA analyses were developed with a focus on interpretative ability using coefficient contour maps. CoMSIA produced significantly better results. The results indicate a strong correlation between the inhibitory activity of the modeled compounds and the electrostatic and hydrophobic fields around them. PMID:18468903

  1. 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.

  2. Investigation of the structure of ethanol-water mixtures by molecular dynamics simulation I: analyses concerning the hydrogen-bonded pairs.

    Science.gov (United States)

    Gereben, Orsolya; Pusztai, László

    2015-02-19

    Series of molecular dynamics simulations for ethanol-water mixtures with 20-80 mol % ethanol content, pure ethanol, and water were performed. In each mixture, for ethanol the OPLS force field was used, combined with three different water force fields, the SPC/E, the TIP4P-2005, and the SWM4-DP. Water potential models were distinguished on the basis of deviations between calculated and measured total scattering X-ray structure factors aided by ethanol-water pair binding energy comparison. No single water force field could provide the best agreement with experimental data at all concentrations: at the ethanol content of 80% the SWM-DP, for 60 mol % the SWM4-DP and the TIP4P-2005, whereas for the 40 and 20 mol % mixtures TIP4P-2005 water force field provided the closest match. Coordination numbers and hydrogen bonds/molecule values were calculated, revealing that the oxygen-oxygen first coordination numbers strongly overestimate the average number of hydrogen bonds/molecule. The center-of-molecule distributions indicate that the ethanol-ethanol first coordination sphere expands with increasing water concentration while the size of the first water-water coordination sphere does not change. Various two and three-dimensional distributions were calculated that reveal the differences between simulations with different water force fields. Detailed conformational analyses of the hydrogen-bonded pairs were performed; drawings of the characteristic molecular arrangements are provided. PMID:25635651

  3. 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

  4. In silico analyses of structural and allergenicity features of sapodilla (Manilkara zapota) acidic thaumatin-like protein in comparison with allergenic plant TLPs.

    Science.gov (United States)

    Ashok Kumar, Hassan G; Venkatesh, Yeldur P

    2014-02-01

    Thaumatin-like proteins (TLPs) belong to the pathogenesis-related family (PR-5) of plant defense proteins. TLPs from only 32 plant genera have been identified as pollen or food allergens. IgE epitopes on allergens play a central role in food allergy by initiating cross-linking of specific IgE on basophils/mast cells. A comparative analysis of pollen- and food-allergenic TLPs is lacking. The main objective of this investigation was to study the structural and allergenicity features of sapodilla (Manilkara zapota) acidic TLP (TLP 1) by in silico methods. The allergenicity prediction of composite sequence of sapodilla TLP 1 (NCBI B3EWX8.1, G5DC91.1) was performed using FARRP, Allermatch and Evaller web tools. A homology model of the protein was generated using banana TLP template (1Z3Q) by HHPRED-MODELLER. B-cell linear epitope prediction was performed using BCpreds and BepiPred. Sapodilla TLP 1 matched significantly with allergenic TLPs from olive, kiwi, bell pepper and banana. IgE epitope prediction as performed using AlgPred indicated the presence of 2 epitopes (epitope 1: residues 36-48; epitope 2: residues 51-63), and a comprehensive analysis of all allergenic TLPs displayed up to 3 additional epitopes on other TLPs. It can be inferred from these analyses that plant allergenic TLPs generally carry 2-3 IgE epitopes. ClustalX alignments of allergenic TLPs indicate that IgE epitopes 1 and 2 are common in food allergenic TLPs, and IgE epitopes 2 and 3 are common in pollen allergenic TLPs; IgE epitope 2 overlaps with a portion of the thaumatin family signature. The secondary structural elements of TLPs vary markedly in regions 1 and 2 which harbor all the predicted IgE epitopes in all food and pollen TLPs in either of the region. Further, based on the number of IgE epitopes, food TLPs are grouped into rosid and non-rosid clades. The number and distribution of the predicted IgE epitopes among the allergenic TLPs may explain the specificity of food or pollen allergy as

  5. Cloning and characterization of a pectin lyase gene from Colletotrichum lindemuthianum and comparative phylogenetic/structural analyses with genes from phytopathogenic and saprophytic/opportunistic microorganisms

    Directory of Open Access Journals (Sweden)

    Lara-Márquez Alicia

    2011-12-01

    Full Text Available Abstract Background Microorganisms produce cell-wall-degrading enzymes as part of their strategies for plant invasion/nutrition. Among these, pectin lyases (PNLs catalyze the depolymerization of esterified pectin by a β-elimination mechanism. PNLs are grouped together with pectate lyases (PL in Family 1 of the polysaccharide lyases, as they share a conserved structure in a parallel β-helix. The best-characterized fungal pectin lyases are obtained from saprophytic/opportunistic fungi in the genera Aspergillus and Penicillium and from some pathogens such as Colletotrichum gloeosporioides. The organism used in the present study, Colletotrichum lindemuthianum, is a phytopathogenic fungus that can be subdivided into different physiological races with different capacities to infect its host, Phaseolus vulgaris. These include the non-pathogenic and pathogenic strains known as races 0 and 1472, respectively. Results Here we report the isolation and sequence analysis of the Clpnl2 gene, which encodes the pectin lyase 2 of C. lindemuthianum, and its expression in pathogenic and non-pathogenic races of C. lindemuthianum grown on different carbon sources. In addition, we performed a phylogenetic analysis of the deduced amino acid sequence of Clpnl2 based on reported sequences of PNLs from other sources and compared the three-dimensional structure of Clpnl2, as predicted by homology modeling, with those of other organisms. Both analyses revealed an early separation of bacterial pectin lyases from those found in fungi and oomycetes. Furthermore, two groups could be distinguished among the enzymes from fungi and oomycetes: one comprising enzymes from mostly saprophytic/opportunistic fungi and the other formed mainly by enzymes from pathogenic fungi and oomycetes. Clpnl2 was found in the latter group and was grouped together with the pectin lyase from C. gloeosporioides. Conclusions The Clpnl2 gene of C. lindemuthianum shares the characteristic elements of

  6. 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...

  7. Otolith Trace Elemental Analyses of South American Austral Hake, Merluccius australis (Hutton, 1872) Indicates Complex Salinity Structuring on their Spawning/Larval Grounds

    OpenAIRE

    Brickle, Paul; Schuchert, Pia C.; Arkhipkin, Alexander I.; Malcolm R Reid; Randhawa, Haseeb S.

    2016-01-01

    Trace element signatures of otolith edges and cores from 335 austral hake (Merluccius autralis) were analysed using LA-ICPMS from samples collected in Chilean and Falkland Islands' waters, in order to provide potential insights into stock discrimination and migrations. Fish were caught in two locations in Chile and four locations in the south-west of the Falkland Islands Shelf. Univariate and multivariate analyses of trace element signatures in the edges of otoliths, representing adult fish, ...

  8. Analyse des structures en sandwich de type panneaux composites renforcés en nanoparticules soumises à un impact mécanique

    OpenAIRE

    RAMAKRISHNAN, Karthik Ram

    2014-01-01

    Sandwich structures are lightweight structures composed of two thin, relatively dense, high strength facesheets that are glued on either side of a thick, low density core, such as foams or honeycombs. Sandwich panels with fibre reinforced plastic skins and core of polymer foam represent an important class of lightweight structural materials in many areas of such as aeronautics and aerospace, automotive and marine structures. However, some of these sandwich structures have very limited energy ...

  9. 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.

  10. Preliminary examination of food web structure of Nicola Lake (Taim Hydrological System, south Brazil using dual C and N stable isotope analyses

    Directory of Open Access Journals (Sweden)

    Alexandre M. Garcia

    2006-06-01

    Full Text Available Taim Ecological Reserve is located within the Taim Hydrological System and was created to protect a heterogeneous and productive landscape harboring exceptional biological diversity in southern Brazil. Using stable isotope ratio analyses of carbon (delta13C and nitrogen (delta15N, we provide a preliminary description of the food web structure, including estimates of production sources supporting fish populations and vertical trophic structure, within a representative lake of this system. A total of 21 organisms (5 macrophytes, 3 mollusks and 13 adult fishes representing 16 species were collected for isotope analysis. Fishes had delta13C values ranging from -24.30º/oo to -28.31º/oo , showing concordance with the range of values observed for macrophytes (-25.49 to -27.10º/oo, and suggesting that these plants could be a major carbon source supporting these fishes. delta13C signatures of Corbicula (-30.81º/oo and Pomacea (-24.26º/oo indirectly suggest that phytoplankton and benthic algae could be alternative carbon sources for some consumers. Nitrogen isotope ratios indicated approximately three consumer trophic levels. The pearl cichlid Geophagus brasiliensis was a primary consumer. Two catfishes (Trachelyopterus lucenai and Loricariichthys anus were secondary consumers. Two congeneric pike cichclids (Crenicichla lepidota and C. punctata, a catfish (Pimelodus maculatus and the characids Astyanax fasciatus and Oligosarcus robustus were tertiary consumers. Further studies including additional primary producers and consumers and greater sample numbers should be conducted to provide a more complete and detailed description of food web structure and dynamics within the reserve.A Estação Ecológica do Taim está inserida dentro do Sistema Hidrológico do Taim e foi criada para proteger uma região heterogênea e produtiva no sul do Brasil, abrigando uma diversidade biológica excepcional. A partir da análise de isótopos estáveis do carbono

  11. Comparison of and limits of accuracy for statistical analyses of vibrational and electronic circular dichroism spectra in terms of correlations to and predictions of protein secondary structure.

    OpenAIRE

    Pancoska, P.; Bitto, E.; Janota, V.; Urbanova, M.; Gupta, V P; Keiderling, T A

    1995-01-01

    This work provides a systematic comparison of vibrational CD (VCD) and electronic CD (ECD) methods for spectral prediction of secondary structure. The VCD and ECD data are simplified to a small set of spectral parameters using the principal component method of factor analysis (PC/FA). Regression fits of these parameters are made to the X-ray-determined fractional components (FC) of secondary structure. Predictive capability is determined by computing structures for proteins sequentially left ...

  12. 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)

  13. A systematic study of coordinate precision in X-ray structure analyses. Pt. 2. Predictive estimates of E.S.D.'s for the general-atom case

    International Nuclear Information System (INIS)

    The relationship between the mean isotropic e.s.d. anti σ(A)o of any element type A in a crystal structure and the R factor and atomic constitution of that structure is explored for 124 905 element-type occurrences calculated from 33 955 entries in the Cambridge Structural Database. On the basis of the work of Cruickshank [Acta Cryst. (1960), 13, 774-777], it is shown that anti σ(A)p values can be estimated by equations of the form anti σ(A)p = KRN1/2c/ZA where Nc is taken as ΣZ2i/Z2C, the Zi are atomic numbers and the summation is over all atoms in the asymmetric unit. Values of K were obtained by regression techniques using the anti σ(A)o as basis. The constant Knc for noncentrosymmetric structures is found to be larger than Kc for centrosymmetric structures by a factor of ∼21/2, as predicted by Cruickshank (1960). Two predictive equations are generated, one for first-row elements and the second for elements with ZA > 10. The relationship between the different constants K that arise in these two situations is linked to shape differentials in scattering-factor (fi) curves for light and heavy atoms. It is found that predictive equations in which the Zi are selectively replaced by fi at a constant sinθ/λ of 0.30 A-1 generate closely similar values of K for the light-atom and heavy-atom subsets. The overall analysis indicates that atomic e.s.d.'s may be seriously underestimated in the more precise structure determinations, that e.s.d.'s for the heaviest atoms may be less reliable than those for lighter atoms and that e.s.d.'s in noncentrosymmetric structures may be less accurate than those in centrosymmetric structures. (orig.)

  14. Fluorine-18-labeled boronophenylalanine positron emission tomography for oral cancers: Qualitative and quantitative analyses of malignant tumors and normal structures in oral and maxillofacial regions

    OpenAIRE

    Ariyoshi, Yasunori; Shimahara, Masashi; Kimura,Yoshihiro; Ito, Yuichi; SHIMAHARA, TAKESHI; MIYATAKE, SHIN-ICHI; Kawabata, Shinji

    2011-01-01

    The present study aimed to demonstrate the features of fluorine-18-labeled boronophenylalanine positron emission tomography (18F-BPA-PET) to reveal oral cancer, as well as normal structures in the oral and maxillofacial regions. We analyzed 18F-BPA-PET findings from 8 patients with histologically confirmed recurrent and/or advanced oral cancer scheduled for boron neutron capture therapy. The capacity of 18F-BPA-PET to delineate tumor and normal structures was assessed qualitatively and quanti...

  15. 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.

  16. Optical and structural analyses of evaporated thin films of Ga2Se3 and In2Se3 for solar cells

    International Nuclear Information System (INIS)

    Ga2Se3 and In2Se3 are used as precursor layers for Cu(In,Ga)Se2 thin films, which are applied as solar absorbers for photovoltaics. These precursor layers were deposited at various substrate temperatures ranging from 250 C to 450 C on pure glass substrates and on Mo-coated glass substrates. The composition and thickness of the Ga2Se3 and In2Se3 layers can be controlled in-situ by laser (LLS) and white light scattering (WLS). Controlling these parameters is essential since they affect the electrical properties of the Cu(In,Ga)Se2 layer and therefore the performance of the solar cell. The samples were analysed by optical transmission and reflection measurements in order to determine refractive indexes and band-gap energies complementary to the LLS and WLS results. Ga2Se3 and In2Se3 were also studied by means of X-ray diffraction (XRD), scanning and transmission electron microscopy, energy dispersive x-ray spectroscopy and grazing-incidence XRD in order to identify different phases and interdiffusion. The formation of a (Ga,In)2Se3 solid solution was detected and analysed

  17. 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)

  18. Structural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) Inhibitors

    Energy Technology Data Exchange (ETDEWEB)

    Mehboob, Shahila; Hevener, Kirk E.; Truong, Kent; Boci, Teuta; Santarsiero, Bernard D.; Johnson, Michael E. (UIC)

    2012-10-10

    Because of structural and mechanistic differences between eukaryotic and prokaryotic fatty acid synthesis enzymes, the bacterial pathway, FAS-II, is an attractive target for the design of antimicrobial agents. We have previously reported the identification of a novel series of benzimidazole compounds with particularly good antibacterial effect against Francisella tularensis, a Category A biowarfare pathogen. Herein we report the crystal structure of the F. tularensis FabI enzyme in complex with our most active benzimidazole compound bound with NADH. The structure reveals that the benzimidazole compounds bind to the substrate site in a unique conformation that is distinct from the binding motif of other known FabI inhibitors. Detailed inhibition kinetics have confirmed that the compounds possess a novel inhibitory mechanism that is unique among known FabI inhibitors. These studies could have a strong impact on future antimicrobial design efforts and may reveal new avenues for the design of FAS-II active antibacterial compounds.

  19. 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. PMID:26192536

  20. 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…

  1. Structural, Biochemical, and Phylogenetic Analyses Suggest That Indole-3-Acetic Acid Methyltransferase Is an Evolutionarily Ancient Member of the SABATH Family

    Energy Technology Data Exchange (ETDEWEB)

    Zhao,N.; Ferrer, J.; Ross, J.; Guan, J.; Yang, Y.; Pichersky, E.; Noel, J.; Chen, F.

    2008-01-01

    The plant SABATH protein family encompasses a group of related small-molecule methyltransferases (MTs) that catalyze the S-adenosyl-L-methionine-dependent methylation of natural chemicals encompassing widely divergent structures. Indole-3-acetic acid (IAA) methyltransferase (IAMT) is a member of the SABATH family that modulates IAA homeostasis in plant tissues through methylation of IAA's free carboxyl group. The crystal structure of Arabidopsis (Arabidopsis thaliana) IAMT (AtIAMT1) was determined and refined to 2.75 Angstroms resolution. The overall tertiary and quaternary structures closely resemble the two-domain bilobed monomer and the dimeric arrangement, respectively, previously observed for the related salicylic acid carboxyl methyltransferase from Clarkia breweri (CbSAMT). To further our understanding of the biological function and evolution of SABATHs, especially of IAMT, we analyzed the SABATH gene family in the rice (Oryza sativa) genome. Forty-one OsSABATH genes were identified. Expression analysis showed that more than one-half of the OsSABATH genes were transcribed in one or multiple organs. The OsSABATH gene most similar to AtIAMT1 is OsSABATH4. Escherichia coli-expressed OsSABATH4 protein displayed the highest level of catalytic activity toward IAA and was therefore named OsIAMT1. OsIAMT1 exhibited kinetic properties similar to AtIAMT1 and poplar IAMT (PtIAMT1). Structural modeling of OsIAMT1 and PtIAMT1 using the experimentally determined structure of AtIAMT1 reported here as a template revealed conserved structural features of IAMTs within the active-site cavity that are divergent from functionally distinct members of the SABATH family, such as CbSAMT. Phylogenetic analysis revealed that IAMTs from Arabidopsis, rice, and poplar (Populus spp.) form a monophyletic group. Thus, structural, biochemical, and phylogenetic evidence supports the hypothesis that IAMT is an evolutionarily ancient member of the SABATH family likely to play a critical

  2. The CAO Short-Run Macroeconometric Model of Japanese Economy (2004 version) -Basic Structure, Multipliers, and Economic Policy Analyses- (in Japanese)

    OpenAIRE

    Keiko Murata; Tatsuo Saito

    2005-01-01

    This paper describes the basic structure and multipliers of the revised version of the CAO Short-Run Macroeconometric Model of the Japanese Economy, which was firstly released in 1998 (Hori et al. [1998]).The model is basically a demand-oriented, traditional Keynesian-type model with IS-LM-BP framework; however, it adopts recent developments in econometrics, such as co-integration, and error-correction to ensure a long-run equilibrium.

  3. Impact de missiles rigides sur structures en béton armé : analyse par la méthode des éléments discrets

    OpenAIRE

    Shiu, Wenjie

    2008-01-01

    The protection of the building plays an important role when the structure is subjected to a fast dynamic loading. This thesis emphasize on the problem of the dynamic impact loading: a reformed concrete wall under a rigid missile impact. Based on the experimental test data, we have proposed a constitutive law, elasto-plasic-damage model, for which the hardening behaviour of the concrete is considered. This model has been implanted into a discrete element numerical code, then, some quasi static...

  4. Comparative sequence, structure and redox analyses of Klebsiella pneumoniae DsbA show that anti-virulence target DsbA enzymes fall into distinct classes.

    Science.gov (United States)

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

    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 virulence across a range of organisms by targeting DsbA. For example, Salmonella enterica typhimurium (SeDsbA, 86 % sequence identity to EcDsbA) shares almost identical structural, surface and redox properties. Using comparative sequence and structure analysis we predicted that five other bacterial DsbAs would share these properties. To confirm this, we characterized Klebsiella pneumoniae DsbA (KpDsbA, 81 % identity to EcDsbA). As expected, the redox properties, structure and surface features (from crystal and NMR data) of KpDsbA were almost identical to those of EcDsbA and SeDsbA. Moreover, KpDsbA and EcDsbA bind peptides derived from their respective DsbBs with almost equal affinity, supporting the notion that compounds designed to inhibit EcDsbA will also inhibit KpDsbA. Taken together, our data show that DsbAs fall into different classes; that DsbAs within a class may be predicted by sequence analysis of binding loops; that DsbAs within a class are able to complement one another in vivo and that compounds designed to inhibit EcDsbA are likely to inhibit DsbAs within the same class. PMID:24244651

  5. Comparative sequence, structure and redox analyses of Klebsiella pneumoniae DsbA show that anti-virulence target DsbA enzymes fall into distinct classes.

    Directory of Open Access Journals (Sweden)

    Fabian Kurth

    Full Text Available 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 virulence across a range of organisms by targeting DsbA. For example, Salmonella enterica typhimurium (SeDsbA, 86 % sequence identity to EcDsbA shares almost identical structural, surface and redox properties. Using comparative sequence and structure analysis we predicted that five other bacterial DsbAs would share these properties. To confirm this, we characterized Klebsiella pneumoniae DsbA (KpDsbA, 81 % identity to EcDsbA. As expected, the redox properties, structure and surface features (from crystal and NMR data of KpDsbA were almost identical to those of EcDsbA and SeDsbA. Moreover, KpDsbA and EcDsbA bind peptides derived from their respective DsbBs with almost equal affinity, supporting the notion that compounds designed to inhibit EcDsbA will also inhibit KpDsbA. Taken together, our data show that DsbAs fall into different classes; that DsbAs within a class may be predicted by sequence analysis of binding loops; that DsbAs within a class are able to complement one another in vivo and that compounds designed to inhibit EcDsbA are likely to inhibit DsbAs within the same class.

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

    OpenAIRE

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

    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...

  7. Assessing the phylogenetic usefulness of a previously neglected morphological structure through elliptic Fourier analyses: a case study in Bruchus seed-beetles (Coleoptera: Chrysomelidae: Bruchinae)

    OpenAIRE

    Kergoat, Gaël J.; Alvarez, Nadir

    2008-01-01

    We address the systematics of Bruchus seed-beetles through the use of a geometric morphometric outline approach, namely elliptic Fourier analysis. We found that a previously neglected genitalic structure, the ventral plate, provides new evidence in the discussion of taxonomic issues raised by recent molecular studies. Three methods of hierarchical clustering allow investigation of the phylogenetic relationships of the key species that cause the paraphyly of two species groups in recent molecu...

  8. A study of the population structure of the Pacific sardine Sardinops sagax (Jenyns, 1842) in Mexico based on morphometric and genetic analyses

    OpenAIRE

    Cota Gómez, Víctor Manuel; De La Cruz Agüero, José; García Gasca, Silvia Alejandra; García Rodríguez, Francisco Javier

    2011-01-01

    Several studies on the Pacific sardine Sardinops sagax have focused on the identification of stock composition and boundaries, using morphometric and genetic analysis. In this study, geometric morphometric body landmarks and control region mtDNA sequences were used to examine the population structure of sardines along the Pacific coast of the Baja California Peninsula. Samples from commercial landings in Ensenada (ENS), Baja California, and Bahia Magdalena (BM), Baja California Sur, were obta...

  9. Structural and Functional Measures of Efficacy in Response to Bevacizumab Monotherapy in Diabetic Macular Oedema: Exploratory Analyses of the BOLT Study (Report 4)

    OpenAIRE

    Sivaprasad, S; Crosby-Nwaobi, R; Esposti, S.; Peto, T; Rajendram, R.; Michaelides, M; Hykin, P

    2013-01-01

    Background To describe structural and functional changes associated with diabetic macular oedema (DMO) treated with intravitreal bevacizumab over 24 months. Methods A post-hoc analysis of the data of 34 patients that completed 24 months follow-up in the intravitreal bevacizumab arm of a prospective, randomized controlled trial (BOLT study) was performed. The outcome measures previously used in clinical trials of intravitreal ranibizumab in DMO were employed to describe the visual a...

  10. Structural and Functional Measures of Efficacy in Response to Bevacizumab Monotherapy in Diabetic Macular Oedema: Exploratory Analyses of the BOLT Study (Report 4)

    OpenAIRE

    Sivaprasad, Sobha; Crosby-Nwaobi, Roxanne; Esposti, Simona; Peto, Tunde; Rajendram, Ranjan; Michaelides, Michel; Hykin, Philip

    2013-01-01

    Background To describe structural and functional changes associated with diabetic macular oedema (DMO) treated with intravitreal bevacizumab over 24 months. Methods A post-hoc analysis of the data of 34 patients that completed 24 months follow-up in the intravitreal bevacizumab arm of a prospective, randomized controlled trial (BOLT study) was performed. The outcome measures previously used in clinical trials of intravitreal ranibizumab in DMO were employed to describe the visual acuity and m...

  11. Potential Antileukemia Effect and Structural Analyses of SRPK Inhibition by N-(2-(Piperidin-1-yl-5-(TrifluoromethylPhenylIsonicotinamide (SRPIN340.

    Directory of Open Access Journals (Sweden)

    Raoni Pais Siqueira

    Full Text Available Dysregulation of pre-mRNA splicing machinery activity has been related to the biogenesis of several diseases. The serine/arginine-rich protein kinase family (SRPKs plays a critical role in regulating pre-mRNA splicing events through the extensive phosphorylation of splicing factors from the family of serine/arginine-rich proteins (SR proteins. Previous investigations have described the overexpression of SRPK1 and SRPK2 in leukemia and other cancer types, suggesting that they would be useful targets for developing novel antitumor strategies. Herein, we evaluated the effect of selective pharmacological SRPK inhibition by N-(2-(piperidin-1-yl-5-(trifluoromethylphenylisonicotinamide (SRPIN340 on the viability of lymphoid and myeloid leukemia cell lines. Along with significant cytotoxic activity, the effect of treatments in regulating the phosphorylation of the SR protein family and in altering the expression of MAP2K1, MAP2K2, VEGF and FAS genes were also assessed. Furthermore, we found that pharmacological inhibition of SRPKs can trigger early and late events of apoptosis. Finally, intrinsic tryptophan fluorescence emission, molecular docking and molecular dynamics were analyzed to gain structural information on the SRPK/SRPIN340 complex. These data suggest that SRPK pharmacological inhibition should be considered as an alternative therapeutic strategy for fighting leukemias. Moreover, the obtained SRPK-ligand interaction data provide useful structural information to guide further medicinal chemistry efforts towards the development of novel drug candidates.

  12. Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.

    Science.gov (United States)

    Moreno, Andrew; Froehlig, John R; Bachas, Sharrol; Gunio, Drew; Alexander, Teressa; Vanya, Aaron; Wade, Herschel

    2016-08-30

    Multidrug resistance (MDR) refers to the acquired ability of cells to tolerate a broad range of toxic compounds. One mechanism cells employ is to increase the level of expression of efflux pumps for the expulsion of xenobiotics. A key feature uniting efflux-related mechanisms is multidrug (MD) recognition, either by efflux pumps themselves or by their transcriptional regulators. However, models describing MD binding by MDR effectors are incomplete, underscoring the importance of studies focused on the recognition elements and key motifs that dictate polyspecific binding. One such motif is the GyrI-like domain, which is found in several MDR proteins and is postulated to have been adapted for small-molecule binding and signaling. Here we report the solution binding properties and crystal structures of two proteins containing GyrI-like domains, SAV2435 and CTR107, bound to various ligands. Furthermore, we provide a comparison with deposited crystal structures of GyrI-like proteins, revealing key features of GyrI-like domains that not only support polyspecific binding but also are conserved among GyrI-like domains. Together, our studies suggest that GyrI-like domains perform evolutionarily conserved functions connected to multidrug binding and highlight the utility of these types of studies for elucidating mechanisms of MDR. PMID:27505298

  13. Potential Antileukemia Effect and Structural Analyses of SRPK Inhibition by N-(2-(Piperidin-1-yl)-5-(Trifluoromethyl)Phenyl)Isonicotinamide (SRPIN340)

    Science.gov (United States)

    Siqueira, Raoni Pais; Righetto, Germanna Lima; Seraphim, Thiago Vargas; Salgado, Rafael Locatelli; Ferreira, Joana Gasperazzo; Barros, Marcus Vinícius de Andrade; de Oliveira, Leandro Licursi; Laranjeira, Angelo Brunelli Albertoni; Almeida, Márcia Rogéria; Júnior, Abelardo Silva; Fietto, Juliana Lopes Rangel; Kobarg, Jörg; de Oliveira, Eduardo Basílio; Teixeira, Robson Ricardo; Borges, Júlio César; Yunes, Jose Andrés; Bressan, Gustavo Costa

    2015-01-01

    Dysregulation of pre-mRNA splicing machinery activity has been related to the biogenesis of several diseases. The serine/arginine-rich protein kinase family (SRPKs) plays a critical role in regulating pre-mRNA splicing events through the extensive phosphorylation of splicing factors from the family of serine/arginine-rich proteins (SR proteins). Previous investigations have described the overexpression of SRPK1 and SRPK2 in leukemia and other cancer types, suggesting that they would be useful targets for developing novel antitumor strategies. Herein, we evaluated the effect of selective pharmacological SRPK inhibition by N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)isonicotinamide (SRPIN340) on the viability of lymphoid and myeloid leukemia cell lines. Along with significant cytotoxic activity, the effect of treatments in regulating the phosphorylation of the SR protein family and in altering the expression of MAP2K1, MAP2K2, VEGF and FAS genes were also assessed. Furthermore, we found that pharmacological inhibition of SRPKs can trigger early and late events of apoptosis. Finally, intrinsic tryptophan fluorescence emission, molecular docking and molecular dynamics were analyzed to gain structural information on the SRPK/SRPIN340 complex. These data suggest that SRPK pharmacological inhibition should be considered as an alternative therapeutic strategy for fighting leukemias. Moreover, the obtained SRPK-ligand interaction data provide useful structural information to guide further medicinal chemistry efforts towards the development of novel drug candidates. PMID:26244849

  14. 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.

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

    Science.gov (United States)

    Morina, Nexhmedin; Böhme, Hendryk F; Ajdukovic, Dean; Bogic, Marija; Franciskovic, Tanja; Galeazzi, Gian M; Kucukalic, Abdulah; Lecic-Tosevski, Dusica; Popovski, Mihajlo; Schützwohl, Matthias; Stangier, Ulrich; Priebe, Stefan

    2010-08-01

    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 in the area of conflict and one sample of refugees to Western European countries. Alternative models with three, four, and five factors of post-traumatic symptoms were tested in one sample. The other samples were used for cross-validation. Results indicated that the model of best fit had five factors, i.e., intrusion, avoidance, hyperarousal, numbing, and sleep disturbance. Model superiority was cross-validated in the two other samples. These findings suggest a five-factor model of post-traumatic stress symptoms in war survivors with numbing and sleep disturbance as separate factors in addition to intrusion, avoidance and hyperarousal. PMID:20430572

  16. Structure des fragments de fission de masse A = 100 - 110 : mesures de temps de vie et analyses en champ moyen et au-delà

    OpenAIRE

    Grente, Lucie

    2014-01-01

    Les noyaux riches en neutrons de masse A=100-110 constituent une région de grand intérêt pour l'étude de la structure nucléaire loin de la stabilité. De précédentes études de cette région de masse ont déjà révélé la complexité de l'évolution de la collectivité et de la déformation dans les chaînes isotopiques de Zr, Mo, Ru et Pd. Afin d'étendre les données expérimentales sur la collectivité à des états de plus haut spin et à des noyaux plus riches en neutrons, des temps de vie d'états excités...

  17. In silico analyses of antigenicity and surface structure variation of an emerging porcine circovirus genotype 2b mutant, prevalent in southern China from 2013 to 2015.

    Science.gov (United States)

    Zhan, Yang; Wang, Naidong; Zhu, Zhe; Wang, Zhanfeng; Wang, Aibing; Deng, Zhibang; Yang, Yi

    2016-04-01

    Porcine circovirus type 2 (PCV2) is the pivotal pathogen causing porcine circovirus-associated diseases. In this study, 62 PCV2 isolates were identified from seven farms in southern China from 2013 to 2015 and phylogenetic trees were reconstructed based on whole-genome sequences or the cap gene. In this investigation, PCV2b was the main genotype in circulation throughout these farms. Furthermore, an emerging mutant (PCV2b-1C), isolated from PCV2-vaccinated farms, was the predominant strain prevalent on these farms. In addition, we isolated a new cluster that may represent evolution of the virus through recombination of PCV2b-1A/1B and PCV2b-1C. Finally, we discuss evidence that antigenicity and surface structure variation of the capsid resulted from mutation of the C-terminal loop (Loop CT) of the PCV2b-1C Cap in silico. PMID:26758466

  18. Analysing the effect of movement on local survival: a new method with an application to a spatially structured population of the arboreal gecko Gehyra variegata.

    Science.gov (United States)

    Gruber, Bernd; Henle, Klaus

    2008-01-01

    Mortality during movement between habitat patches is the most obvious cost of dispersal, but rarely it has been demonstrated empirically. An approach is presented, which uses capture-mark-recapture data of an arboreal gecko species to determine the effect of individual movement on local survival in a spatially structured population. Because capture-mark-recapture data are widely available for a range of animal species, it should be possible to extend their application to other species. The method is based on the assumption that the tendency to be a territorial animal or to be a floating animal is fixed during the study period. The advantage of our approach is that only one additional parameter has to be estimated for describing movement risks. We further tested the power of our approach to detect an association of movement and mortality with simulated capture histories. The study revealed a strong negative effect of movement on local survival. Hence, animals that moved more often between trees had a lower survival rate. Interestingly, the mean movement rate for males was significantly higher than for females, which should lead to a biased sex ratio towards females in the population. As there was an even sex ratio in the population, we discuss not mutually exclusive explanations for this finding like differences in emigration rates between sexes, differences in survival rates between sexes, or a skewed sex ratio in offspring. PMID:17938971

  19. Sex-specific population structure, natural selection, and linkage disequilibrium in a wild bird population as revealed by genome-wide microsatellite analyses

    Directory of Open Access Journals (Sweden)

    Merilä Juha

    2010-03-01

    Full Text Available Abstract Background Sexual dimorphism in ecologically important traits is widespread, yet the differences in the genomic architecture between the two sexes are largely unexplored. We employed a genome-wide multilocus approach to examine the sexual differences in population subdivision, natural selection and linkage disequilibrium (LD in a wild Siberian jay (Perisoreus infaustus population, using genotypes at a total of 107 autosomal and Z-chromosomal microsatellites. Results Mean observed heterozygosity was significantly higher in females (HO = 0.567 than in males (HO = 0.532, and autosomal markers (HO = 0.561 were more variable than Z-chromosomal markers (HO = 0.512. Genetic differentiation (FST = 0.002, P P FSTvalue for Z-chromosomal (-0.014, 95% CI: -0.025 - -0.011 than for the autosomal loci (0.003, 95% CI: 0.001 - 0.004. Analysis of syntenic marker pairs revealed high levels of LD in both sexes but significantly (P Conclusion We conclude that there are many clear differences in genomic architecture between the sexes studied here which can be at least partly understood in the light of higher dispersal rate of females as compared to males and the unusual structure of the Z-chromosome of the species.

  20. Numerical analyses of vortex structure induced by dimple%陷窝诱导涡结构数值模拟分析

    Institute of Scientific and Technical Information of China (English)

    刘静; 李杰; 蒋胜矩

    2015-01-01

    In order to clarify dimple induced vortex structure,the fully developed flow be-tween two plane,with a single dimple of classical depth to print diameter ratio of 0.2 placed on the below plane,is simulated with RANS in Fluent.The generation,development and break-down of vortex structure are analyzed with the Zhang Hanxin’s theory of vortex motion bifurca-tion along its axis.And the vortex induce effect after dimple is examined.It is found that the separation belong to a closed separation,in the separation line singular points distribute in spiral/saddle/spiral regularly.When the spiral separation point is generated,wall vorticity is converged to the spiral point and raised in spiral.So the tornado-like vortex is generated perpendicular to the wall.Symmetric tornado-like vortex is closed in symmetric plane,and a half vortex ring is generated.The half vortex ring experienced steady spiral rising,becoming unsteady in the vis-cous dissipation and viscous diffusion,and finally breakdown in the strong adverse pressure gra-dient.After the vortex breakdown,vorticity dispersed and weak longitudinal vortex is induced in the dimple wake which induces upwash in center and downwash in two sides.Rotating in the same direction with longitudinal vortex,induced by upwash in the dimple two sides,edge vortex assisted to enhance convection after dimple.%为了澄清陷窝诱导涡结构及其对尾流的扰动方式,针对布置深宽比0.2陷窝的两平板间充分发展流动进行了稳态数值模拟。应用张涵信的旋涡沿轴线的非线性分叉理论分析表明陷窝内涡结构为失稳破裂的半涡环,总结了陷窝对尾流的扰动方式。研究发现,陷窝诱导的旋涡分离为螺旋点/鞍点/螺旋点分离。物面的分离螺旋点形成,在空间演化为垂直物面发展的对称类龙卷风涡结构。对称类龙卷风涡在对称面闭合形成半涡环。半涡环经历了从稳定升起、沿流向随着涡粘性扩散和涡粘

  1. Mechanical and deformation analyses of pile foundation for supporting structure of off-shore wind turbine at Changhua coast in Taiwan

    Science.gov (United States)

    Wang, W. C.; Lin, D. G.

    2015-12-01

    This study investigates the bearing capacities and mechanical behaviors of pile foundation installed on the seabed of wind farm near Chang-Hua coast of western Taiwan for the supporting structure of offshore wind turbine. A series of three-dimensional (3-D) numerical modeling of pile foundation subjected to various types of combined loading were carried out using Plaix-3D finite element program to investigate the interactive behaviors between soil and pile. In the numerical modeling, pile diameter, pile length and pile spacing were selected as design parameters to inspect their effects on the bearing capacities and deformation behaviors of the pile foundation. For a specific design parameter combination, one can obtain the corresponding loading-displacement curve, various ultimate bearing capacities, V-H (Vertical-Horizontal combined loading) ultimate bearing capacity envelope, and p-ycurve of pile foundation. Numerical results indicate that: (1) Large displacement and plastic points at ultimate state mostly distribute and concentrate in the topsoil of seabed and around pile head. (2) The soil resistance on the soil-pile interface is ascending with the increases of depth, pile diameter and pile length. (3) The vertical and horizontal bearing capacities of pile group increase significantly with the increase of pile diameter. (4) The vertical and bending moment capacities of pile group increase greatly with the increase of pile length whereas the horizontal capacity is almost insensitive to pile length. (5) The bending moment of pile is highly influenced by the pile spacing. (6) For different design parameters, the shape of ultimate bearing capacity envelopes of pile group on V-H plane is similar while the envelopes will expand as the design parameters increase. For different loading levels of bending moment, the envelopes on V-H plane will contract gradually as the bending moment loading increasing.

  2. 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.

  3. Preparation, Crystal Structure and Thermal Analyses of 1,5-Diamino-4-hydro-1,2,3,4-tetrazolium 3,5-Dihydroxy-2,4,6-trinitrophenolate

    Institute of Scientific and Technical Information of China (English)

    CUI Yan; ZHANG Tong-Lai; ZHANG Jian-Guo; HU Xiao-Chun; ZHANG Jin; HUANG Hui-Sheng

    2008-01-01

    A novel energetic salt 1,5-diamino-4-hydro-1,2,3,4-tetrazolium 3,5-dihydroxy-2,4,6-trinitrophenolate was synthesized by the reaction of 1,5-diamino-1,2,3,4-tetrazole (DAT) with 2,4,6-trinitro-1,3,5-trihydroxybenzene (trinitrophloroglucinol, TNPG). It was characterized by X-ray single crystal diffraction, elemental analysis, FT-IR spectroscopy and 1H NMR. The title compound crystallizes in monoclinic system, P2(1)/c space group with crystal parameters of a=1.3399(3) nm, b=0.47088(9) nm, c=2.0127(4) nm, β=92.83(3)°, V= 1.2684(4) nm3, Z=4. Hydrogen bonds, electrostatic interactions, and weak van der Waals' forces make the molecules form a stable threedimensional net structure. Mulliken charge distribution and overlap population of DAT and DATH+TNPG- in bulk state have been obtained from the density functional theory (DFT) with the B3LYP method employing the 6-31G**basis sets to interpret the reason why the protonation site of DAT is N(4) atom of the tetrazole ring. Thermal decomposition of the title compound was studied by using differential scanning calorimetry (DSC) and thermogravimetric analysis (TG) techniques. The high enthalpy change and leaving no solid residue after thermal decomposition indicate that the title compound can be used as a promising energetic material or gas-generating composition.The kinetic parameters of the exothermic process of DATH+TNPG- were studied by using Kissinger's and Ozawa-Doyle's methods and the Arrhenius equation of this process was obtained.

  4. 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.

  5. Theoretical analyses of the elastic and electronic properties of InAs QDs and QD-in-WELL structures grown on GaAs high index substrates

    International Nuclear Information System (INIS)

    We report a theoretical study of the wetting layer thickness, InxGa(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

  6. Using the fluorescent properties of STO-609 as a tool to assist structure-function analyses of recombinant CaMKK2.

    Science.gov (United States)

    Gerner, Lisa; Munack, Steffi; Temmerman, Koen; Lawrence-Dörner, Ann-Marie; Besir, Hüseyin; Wilmanns, Matthias; Jensen, Jan Kristian; Thiede, Bernd; Mills, Ian G; Morth, Jens Preben

    2016-07-22

    Calcium/calmodulin-dependent kinase kinase 2 (CaMKK2) has been implicated in the regulation of metabolic activity in cancer and immune cells, and affects whole-body metabolism by regulating ghrelin-signalling in the hypothalamus. This has led to efforts to develop specific CaMKK2 inhibitors, and STO-609 is the standardly used CaMKK2 inhibitor to date. We have developed a novel fluorescence-based assay by exploiting the intrinsic fluorescence properties of STO-609. Here, we report an in vitro binding constant of KD ∼17 nM between STO-609 and purified CaMKK2 or CaMKK2:Calmodulin complex. Whereas high concentrations of ATP were able to displace STO-609 from the kinase, GTP was unable to achieve this confirming the specificity of this association. Recent structural studies on the kinase domain of CaMKK2 had implicated a number of amino acids involved in the binding of STO-609. Our fluorescent assay enabled us to confirm that Phe(267) is critically important for this association since mutation of this residue to a glycine abolished the binding of STO-609. An ATP replacement assay, as well as the mutation of the 'gatekeeper' amino acid Phe(267)Gly, confirmed the specificity of the assay and once more confirmed the strong binding of STO-609 to the kinase. In further characterising the purified kinase and kinase-calmodulin complex we identified a number of phosphorylation sites some of which corroborated previously reported CaMKK2 phosphorylation and some of which, particularly in the activation segment, were novel phosphorylation events. In conclusion, the intrinsic fluorescent properties of STO-609 provide a great opportunity to utilise this drug to label the ATP-binding pocket and probe the impact of mutations and other regulatory modifications and interactions on the pocket. It is however clear that the number of phosphorylation sites on CaMKK2 will pose a challenge in studying the impact of phosphorylation on the pocket unless the field can develop approaches to

  7. Structural, optical and crystal field analyses of undoped and Mn{sup 2+}-doped ZnS nanoparticles synthesized via reverse micelle route

    Energy Technology Data Exchange (ETDEWEB)

    Krsmanović Whiffen, R.M., E-mail: radenka@vinca.rs [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Jovanović, D.J.; Antić, Ž. [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Bártová, B. [LSME and CIME, École Polytechnique Fédérale de Lausanne, Station 12, Lausanne CH-101 (Switzerland); Milivojević, D.; Dramićanin, M.D. [Vinča Institute of Nuclear Sciences, University of Belgrade, P.O. Box 522, Belgrade 11001 (Serbia); Brik, M.G. [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia)

    2014-02-15

    Zinc sulfide, both as a bulk material and in nanocrystalline form, is a valuable luminescent material with important applications. Doped ZnS nanoparticles of around 5 nm are the material of choice for optoelectronic applications running in the UV region owing to their significant quantum size effect. This paper concerns detailed structural, spectroscopic and crystal field studies of ZnS nanoparticles, both pure and doped with Mn{sup 2+} ions, successfully synthesized at room temperature using a simple reverse micelle technique in the Triton X-100/cyclohexane medium. The resulting ZnS sphalerite phase small-size nanoparticles (3–5 nm) have a much larger energy band gap (∼4.7 eV) than that reported for the bulk ZnS (3.6 eV), thus confirming a pronounced quantum confinement effect. The electron paramagnetic resonance data provided evidence for the existence of two distinct environments for Mn{sup 2+} ions: the interior (core) and near the surface of the nanoparticles. The presence of an Mn{sup 2+}-characteristic orange emission centered at 600 nm confirmed that our samples were properly doped with Mn{sup 2+} ions, as the {sup 4}T{sub 1}→{sup 6}A{sub 1} radiation transition could arise only on the basis of Mn{sup 2+} ions incorporated into the ZnS nanoparticles. To the best of our knowledge, our finding include the longest decay time component for the orange emission ever observed, timed at about 3.3 ms. The experimental excitation spectra were analyzed and the transitions assigned using the exchange charge model of theory of crystal field, which allowed to calculate the energy level scheme of the Mn{sup 2+} ions. The results presented in this paper provide us with detailed information about the ZnS sphalerite nanocrystals studied and can be readily applied to other similar systems. -- Highlights: • 3–5 nm ZnS and ZnS:Mn{sup 2+} NPs synthesized at RT via reverse micelle synthesis. • Pronounced Quantum Confinement effect: E{sub g} (NPs)=4.7 eV>E{sub g} (bulk

  8. Structural, optical and crystal field analyses of undoped and Mn2+-doped ZnS nanoparticles synthesized via reverse micelle route

    International Nuclear Information System (INIS)

    Zinc sulfide, both as a bulk material and in nanocrystalline form, is a valuable luminescent material with important applications. Doped ZnS nanoparticles of around 5 nm are the material of choice for optoelectronic applications running in the UV region owing to their significant quantum size effect. This paper concerns detailed structural, spectroscopic and crystal field studies of ZnS nanoparticles, both pure and doped with Mn2+ ions, successfully synthesized at room temperature using a simple reverse micelle technique in the Triton X-100/cyclohexane medium. The resulting ZnS sphalerite phase small-size nanoparticles (3–5 nm) have a much larger energy band gap (∼4.7 eV) than that reported for the bulk ZnS (3.6 eV), thus confirming a pronounced quantum confinement effect. The electron paramagnetic resonance data provided evidence for the existence of two distinct environments for Mn2+ ions: the interior (core) and near the surface of the nanoparticles. The presence of an Mn2+-characteristic orange emission centered at 600 nm confirmed that our samples were properly doped with Mn2+ ions, as the 4T1→6A1 radiation transition could arise only on the basis of Mn2+ ions incorporated into the ZnS nanoparticles. To the best of our knowledge, our finding include the longest decay time component for the orange emission ever observed, timed at about 3.3 ms. The experimental excitation spectra were analyzed and the transitions assigned using the exchange charge model of theory of crystal field, which allowed to calculate the energy level scheme of the Mn2+ ions. The results presented in this paper provide us with detailed information about the ZnS sphalerite nanocrystals studied and can be readily applied to other similar systems. -- Highlights: • 3–5 nm ZnS and ZnS:Mn2+ NPs synthesized at RT via reverse micelle synthesis. • Pronounced Quantum Confinement effect: Eg (NPs)=4.7 eV>Eg (bulk)=3.6 eV. • Estimated distribution of the Mn2+ ions throughout the Zn

  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. Structural and spectroscopic characterization of 17- and 18-electron piano-stool complexes of chromium. Thermochemical analyses of weak Cr-H bonds.

    Science.gov (United States)

    van der Eide, Edwin F; Helm, Monte L; Walter, Eric D; Bullock, R Morris

    2013-02-01

    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 electron paramagnetic resonance (EPR), IR, and variable temperature (1)H 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 E(1/2) = -1.89(1) V vs Cp(2)Fe(+•/0) in MeCN, and was accomplished chemically with KC(8) in tetrahydrofuran (THF). The salts K(+)(18-crown-6)[CpCr(CO)(2)(IMe)](-)·½THF and K(+)[CpCr(CO)(2)(IMe)](-)·(3)/(4)THF were crystallographically characterized. Monomeric ion pairs are found in the former, whereas the latter has a polymeric structure because of 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 pK(a) 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(•)] + H(2) 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 time scale of days). By contrast, CpCr(CO)(2)(PCy(3))H has a higher Cr-H BDFE (52.9(4) kcal mol(-1)), is more stable with respect to H(2) loss, and is isolable. PMID:23343354

  11. 钢纤维混凝土路面板结构温度场的有限元分析%Analyses of the Temperature Distribution of SFRC Pavement Plank Structure with Finite Element Method

    Institute of Scientific and Technical Information of China (English)

    邵宝东; 程赫明

    2001-01-01

    采用Galerkin加权余量法建立了钢纤维混凝土路面板结构的有限单元方程,并分析了解的稳定性. 数值计算结果表明,钢纤维混凝土路面板结构的瞬态温度场沿其厚度方向的分布是非线性的.%Galerkin weighted residual method is used to build the finite element equation of steel fiber reinforced concrete(SFRC) pavement plank structure, and the stability of the answer is analysed. The results of the numerical calculation show that the transient temperature field of the SFRC pavement plank structure distributes non-linably along its thickness direction.

  12. 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

  13. 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

  14. 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.

  15. Analyses of Concrete Structures Exposed to Fire

    DEFF Research Database (Denmark)

    Hertz, Kristian

    The text book contains the data and methods necessary for fire safety design of concrete constructions. The methods relate to standard fire as well as to any time of any other fire course.Material data are presented for concretes exposed to fire, and calculation methods are given for the ultimate...

  16. Host-guest supramolecular interactions in the coordination compounds of 4,4'-azobis(pyridine) with MnX2 (X = NCS–, NCNCN–, and PF6(–)): structural analyses and theoretical study.

    Science.gov (United States)

    Kar, Paramita; Biswas, Rituparna; Drew, Michael G B; Frontera, Antonio; Ghosh, Ashutosh

    2012-02-01

    Three new Mn(II) coordination compounds {[Mn(NCNCN)(2)(azpy)]·0.5azpy}(n) (1), {[Mn(NCS)(2)(azpy)(CH(3)OH)(2)]·azpy}(n) (2), and [Mn(azpy)(2)(H(2)O)(4)][Mn(azpy)(H(2)O)(5)]·4PF(6)·H(2)O·5.5azpy (3) (where azpy = 4,4'-azobis(pyridine)) have been synthesized by self-assembly of the primary ligands, dicyanamide, thiocyanate, and hexafluorophosphate, respectively, together with azpy as the secondary spacer. All three complexes were characterized by elemental analyses, IR spectroscopy, thermal analyses, and single crystal X-ray crystallography. The structural analyses reveal that complex 1 forms a two-dimensional (2D) grid sheet motif. These sheets assemble to form a microporous framework that incorporates coordination-free azpy by host-guest π···π and C-H···N hydrogen bonding interactions. Complex 2 features azpy bridged one-dimensional (1D) chains of centrosymmetric [Mn(NCS)(2)(CH (3)OH)(2)] units which form a 2D porous sheet via a CH(3)···π supramolecular interaction. A guest azpy molecule is incorporated within the pores by strong H-bonding interactions. Complex 3 affords a 0-D motif with two monomeric Mn(II) units in the asymmetric unit. There exist π···π, anion···π, and strong hydrogen bonding interactions between the azpy, water, and the anions. Density functional theory (DFT) calculations, at the M06/6-31+G* level of theory, are used to characterize a great variety of interactions that explicitly show the importance of host-guest supramolecular interactions for the stabilization of coordination compounds and creation of the fascinating three-dimensional (3D) architecture of the title compounds. PMID:22272694

  17. 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.

  18. Apports de l'analyse de la structure spatiale en forêt tempérée à l'étude et la modélisation des peuplements complexes

    OpenAIRE

    Goreaud, François

    2000-01-01

    Pour répondre à la demande sociale, les forestiers doivent gérer des peuplements de plus en plus complexes (mélangés en espèces et irréguliers en âge), pour lesquels les modèles classiques ne sont plus suffisants. Pour améliorer ces modèles, il est nécessaire de mieux connaître le fonctionnement de l'écosystème forestier. L'objectif de cette thèse est de montrer comment l'analyse de la structure spatiale, c'est à dire de la façon dont les arbres sont disposés en forêt, couplée avec des modèle...

  19. 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...

  20. Report sensory analyses veal

    OpenAIRE

    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, pink veal and white veal. The sensory descriptive analyses show that the three groups Young bulls, pink veal and white veal, differ significantly in red colour for the raw meat as well as the baked...

  1. 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…

  2. Probabilistic safety analyses (PSA)

    International Nuclear Information System (INIS)

    The guide shows how the probabilistic safety analyses (PSA) are used in the design, construction and operation of light water reactor plants in order for their part to ensure that the safety of the plant is good enough in all plant operational states

  3. 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.

  4. Statistisk analyse med SPSS

    OpenAIRE

    Linnerud, Kristin; Oklevik, Ove; Slettvold, Harald

    2004-01-01

    Dette notatet har sitt utspring i forelesninger og undervisning for 3.års studenter i økonomi og administrasjon ved høgskolen i Sogn og Fjordane. Notatet er særlig lagt opp mot undervisningen i SPSS i de to kursene ”OR 685 Marknadsanalyse og merkevarestrategi” og ”BD 616 Økonomistyring og analyse med programvare”.

  5. 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.)

  6. Digital differential analysers

    CERN Document Server

    Shilejko, A V; Higinbotham, W

    1964-01-01

    Digital Differential Analysers presents the principles, operations, design, and applications of digital differential analyzers, a machine with the ability to present initial quantities and the possibility of dividing them into separate functional units performing a number of basic mathematical operations. The book discusses the theoretical principles underlying the operation of digital differential analyzers, such as the use of the delta-modulation method and function-generator units. Digital integration methods and the classes of digital differential analyzer designs are also reviewed. The te

  7. Analysing Access Control Specifications

    DEFF Research Database (Denmark)

    Probst, Christian W.; Hansen, René Rydhof

    2009-01-01

    common tool to answer this question, analysis of log files, faces the problem that the amount of logged data may be overwhelming. This problems gets even worse in the case of insider attacks, where the attacker’s actions usually will be logged as permissible, standard actions—if they are logged at all....... 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...

  8. 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)

  9. AMS analyses at ANSTO

    International Nuclear Information System (INIS)

    The major use of ANTARES is Accelerator Mass Spectrometry (AMS) with 14C being the most commonly analysed radioisotope - presently about 35 % of the available beam time on ANTARES is used for 14C 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)

  10. Systemdynamisk analyse av vannkraftsystem

    OpenAIRE

    Rydning, Anja

    2007-01-01

    I denne oppgaven er det gjennomført en dynamisk analyse av vannkraftverket Fortun kraftverk. Tre fenomener er særlig vurdert i denne oppgaven: Sjaktsvingninger mellom svingesjakt og magasin, trykkstøt ved turbinen som følge av retardasjonstrykk ved endring i turbinvannføringen og reguleringsstabilitet. Sjaktsvingningene og trykkstøt beregnes analytisk ut fra kontinuitets- og bevegelsesligningen. Modeller av Fortun kraftverk er laget for å beregne trykkstøt og sjaktsvingninger. En modell e...

  11. Chapter 5. Safety analyses

    International Nuclear Information System (INIS)

    In 2000 the safety analyses of the Nuclear Regulatory Authority of the Slovak Republic (UJD) were focused on verification of the safety analyses report and probabilistic safety assessment study for NPP V-1 Bohunice after the reconstruction, reviewing of the suggested changes of the Limits and Conditions for NPP V-2 Bohunice and on the assessment of operational events. An important part of work was performed also in solving of scientific and technical tasks appointed within bilateral projects of co-operation between UJD and its international partnerships' organisations, i.e. within international PHARE programme as well as the 5th framework of the European Commission. Verification of safety analyses part of the safety report for NPP V-1 Bohunice after the gradual reconstruction was focused on checking and passing judgement on the completeness of the considered initiating events, safety criteria, input data, adequacy of the used calculation models and also on the overall quality of the submitted documentation. Suitability of the used methodology and the calculation programmes, achieved level of their verification, correctness and interpretation of the results were assessed. The performed review has shown that the checked safety analyses were performed in compliance with the internationally accepted practice, recommendations of UJD and the IAEA. The required level of safety of NPP V-1 Bohunice has been approved. The document with the results and all the findings of the performed review has been prepared. It includes the details of the performed independent calculations, their results and comparison with the results given in the safety report. A special attention was paid to a review of probabilistic safety assessment study of level 1 for NPP Bohunice V-1 after its gradual reconstruction. The probabilistic safety analysis of NPP in full power operation was elaborated in the study and the impact of the gradual reconstruction to the risk decreasing was quantified. The

  12. 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).

  13. Uncertainty Analyses and Strategy

    International Nuclear Information System (INIS)

    The DOE identified a variety of uncertainties, arising from different sources, during its assessment of the performance of a potential geologic repository at the Yucca Mountain site. In general, the number and detail of process models developed for the Yucca Mountain site, and the complex coupling among those models, make the direct incorporation of all uncertainties difficult. The DOE has addressed these issues in a number of ways using an approach to uncertainties that is focused on producing a defensible evaluation of the performance of a potential repository. The treatment of uncertainties oriented toward defensible assessments has led to analyses and models with so-called ''conservative'' assumptions and parameter bounds, where conservative implies lower performance than might be demonstrated with a more realistic representation. The varying maturity of the analyses and models, and uneven level of data availability, result in total system level analyses with a mix of realistic and conservative estimates (for both probabilistic representations and single values). That is, some inputs have realistically represented uncertainties, and others are conservatively estimated or bounded. However, this approach is consistent with the ''reasonable assurance'' approach to compliance demonstration, which was called for in the U.S. Nuclear Regulatory Commission's (NRC) proposed 10 CFR Part 63 regulation (64 FR 8640 [DIRS 101680]). A risk analysis that includes conservatism in the inputs will result in conservative risk estimates. Therefore, the approach taken for the Total System Performance Assessment for the Site Recommendation (TSPA-SR) provides a reasonable representation of processes and conservatism for purposes of site recommendation. However, mixing unknown degrees of conservatism in models and parameter representations reduces the transparency of the analysis and makes the development of coherent and consistent probability statements about projected repository

  14. 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.

  15. APROS nuclear plant analyser

    International Nuclear Information System (INIS)

    The paper describes the build-up of the Loviisa plant primary circuit model using graphical user interface and generic components. The secondary circuit model of Loviisa is constructed in the same manner. The entire power plant model thus obtained is used for the calculation of two example transients. These examples originate from the Loviisa 2 unit dynamical tests in 1980. The Modular Plant Analyser results are compared with the Loviisa Unit 2 measurement data. This comparison indicates good agreement with the data. The present work has been performed using the Alliant FX/40 minisupercomputer. With this computer the Loviisa model fulfills at present the real-time requirement with 0.5 second timestep. (orig./DG)

  16. 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.

  17. 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

  18. 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.

    2015-11-01

    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.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

  19. Finite element analyses of CCAT preliminary design

    Science.gov (United States)

    Sarawit, Andrew T.; Kan, Frank W.

    2014-07-01

    This paper describes the development of the CCAT telescope finite element model (FEM) and the analyses performed to support the preliminary design work. CCAT will be a 25 m diameter telescope operating in the 0.2 to 2 mm wavelength range. It will be located at an elevation of 5600 m on Cerro Chajnantor in Northern Chile, near ALMA. The telescope will be equipped with wide-field cameras and spectrometers mounted at the two Nasmyth foci. The telescope will be inside an enclosure to protect it from wind buffeting, direct solar heating, and bad weather. The main structures of the telescope include a steel Mount and a carbon-fiber-reinforced-plastic (CFRP) primary truss. The finite element model developed in this study was used to perform modal, frequency response, seismic response spectrum, stress, and deflection analyses of telescope. Modal analyses of telescope were performed to compute the structure natural frequencies and mode shapes and to obtain reduced order modal output at selected locations in the telescope structure to support the design of the Mount control system. Modal frequency response analyses were also performed to compute transfer functions at these selected locations. Seismic response spectrum analyses of the telescope subject to the Maximum Likely Earthquake were performed to compute peak accelerations and seismic demand stresses. Stress analyses were performed for gravity load to obtain gravity demand stresses. Deflection analyses for gravity load, thermal load, and differential elevation drive torque were performed so that the CCAT Observatory can verify that the structures meet the stringent telescope surface and pointing error requirements.

  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 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

  2. 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 be...

  3. Reliability analyses used by maintenance

    Energy Technology Data Exchange (ETDEWEB)

    Rusek, S.; Gono, R.; Kral, V.; Kratky, M. [VSB Technical Univ. of Ostrava, Poruba (Czech Republic)

    2008-07-01

    A series of studies have been conducted to analyze failures that have been experienced by most power distribution companies in the Czech Republic and in one of the Slovak Republics. The purpose was to find ways to optimize the maintenance of distribution network devices. Data was compiled to enable a comparison of results and to create a statistically more important database. Since the number of failures in the area of electrical power engineering have been rather small, the results on element reliability will only be available in several more years to come. The main challenge with reliability analysis is to find reliable and updated input data. As such, the primary task is to change the existing structure of databases of power distribution companies. These databases must be adjusted to get the input data for the calculation functions of reliability centred maintenance (RCM). This paper described the programs designed for analyses of reliability indices and the optimization of maintenance of equipment of the distribution system that will provide basic data for responsible and logical decisions regarding maintenance and basic data for the preparation of an effective maintenance schedule and the creation of a feedback system. 7 refs., 4 figs.

  4. Advanced toroidal facility vaccuum vessel stress analyses

    International Nuclear Information System (INIS)

    The complex geometry of the Advance Toroidal Facility (ATF) vacuum vessel required special analysis techniques in investigating the structural behavior of the design. The response of a large-scale finite element model was found for transportation and operational loading. Several computer codes and systems, including the National Magnetic Fusion Energy Computer Center Cray machines, were implemented in accomplishing these analyses. The work combined complex methods that taxed the limits of both the codes and the computer systems involved. Using MSC/NASTRAN cyclic-symmetry solutions permitted using only 1/12 of the vessel geometry to mathematically analyze the entire vessel. This allowed the greater detail and accuracy demanded by the complex geometry of the vessel. Critical buckling-pressure analyses were performed with the same model. The development, results, and problems encountered in performing these analyses are described. 5 refs., 3 figs

  5. Analyse

    DEFF Research Database (Denmark)

    Dubgaard, Alex

    2009-01-01

    Restriktioner over for landbruget er en god forretning. Til gengæld kan det ikke betale sig at reducere udledningen af drivhusgasser......Restriktioner over for landbruget er en god forretning. Til gengæld kan det ikke betale sig at reducere udledningen af drivhusgasser...

  6. Fully automated tracking of cardiac structures using radiopaque markers and high-frequency videofluoroscopy in an in vivo ovine model: from three-dimensional marker coordinates to quantitative analyses

    OpenAIRE

    Bothe, Wolfgang; Schubert, Harald; Diab, Mahmoud; Faerber, Gloria; Bettag, Christoph; Jiang, Xiaoyan; Fischer, Martin S; Denzler, Joachim; Doenst, Torsten

    2016-01-01

    Purpose Recently, algorithms were developed to track radiopaque markers in the heart fully automated. However, the methodology did not allow to assign the exact anatomical location to each marker. In this case study we describe the steps from the generation of three-dimensional marker coordinates to quantitative data analyses in an in vivo ovine model. Methods In one adult sheep, twenty silver balls were sutured to the right side of the heart: 10 to the tricuspid annulus, one to the anterior ...

  7. Contribution au traitement du signal pour le contrôle de santé in situ de structures composites : application au suivi de température et à l’analyse des signaux d’émission acoustique

    OpenAIRE

    Hamdi, Seif Eddine

    2012-01-01

    Structural health monitoring (SHM) of materials is a fundamental measure to master thedurability and the reliability of structures in service. Beyond the industrial and human issuesever increasing in terms of safety and reliability, health monitoring must cope with demandsincreasingly sophisticated. New health monitoring strategies must not only detect and identifydamage but also quantify the various phenomena involved in it. To achieve this objective, itis necessary to reach a better underst...

  8. Conjoint-Analyse und Marktsegmentierung

    OpenAIRE

    Steiner, Winfried J.; Baumgartner, Bernhard

    2003-01-01

    Die Marktsegmentierung zählt neben der Neuproduktplanung und Preisgestaltung zu den wesentlichen Einsatzgebieten der Conjoint-Analyse. Neben traditionell eingesetzten zweistufigen Vorgehensweisen, bei denen Conjoint-Analyse und Segmentierung in zwei getrennten Schritten erfolgen, stehen heute mit Methoden wie der Clusterwise Regression oder Mixture-Modellen neuere Entwicklungen, die eine simultane Segmentierung und Präferenzschätzung ermöglichen, zur Verfügung. Der Beitrag gibt einen Überblic...

  9. 新型工业化模式下的产业结构优化策略分析%Industry structure optimization strategy analyses under new industrialization mode

    Institute of Scientific and Technical Information of China (English)

    周顺奎

    2012-01-01

    The optimization and upgrading of industrial structure is the important content of the new type industrialization strategy in China.This paper first analyzes the status quo and necessity of new type industrialization.Then it does related analysis of the main driving force on optimization of industrial structure.Finally concrete countermeasures are put forward of how to promote industrial structure adjustment by use of new industrialization.%产业结构的优化升级是我国新型工业化战略的重要内容。文章首先分析了新型工业化对产业结构优化的支持作用,然后分析了产业结构优化的主要动力,最后就新型工业化带动产业结构优化提出具体对策措施。

  10. Déploiement du contrat d’accompagenement dans l’emploi et structures des marchés du travail locaux : Elements d’analyse sur données départementales en 2009

    OpenAIRE

    Olivier Baguelin

    2011-01-01

    Cet article décrit et analyse le déploiement territorial du Contrat d’accompagnement dans l’emploi (CAE) au cours de l’année 2009 en réponse à la crise. Dispositif emblématique de la politique nationale de l’emploi, le CAE est l’objet d’un pilotage très centralisé recherchant une action rapide et massive sur la comptabilité du chômage. Cette logique uniformisante se heurte à la diversité structurelle des marchés du travail locaux, telle que la révèlent les données 2008 du Recensement de la po...

  11. Analyse probabiliste des relations spatiales entre les gisements aurifères et les structures crustales : développement méthodologie et applications à L'YENISSEI RIDGE (RUSSIE)

    OpenAIRE

    Sterligov, Boris

    2010-01-01

    Les progrès récents en sciences de la terre font de plus en plus de données multidisciplinaires disponibles pour l'exploration minière. Cela a permis le développement de méthodologies de calculer la prédictivité pour les zones aurifères basée sur des analyses statistiques des différents paramètres. L'utilisation de nouveaux logiciels développés, la distribution spatiale et la topologie des polygones (e.g. intrusions granitiques) et des polylignes (e.g. zones de cisaillement) sont contrôlées p...

  12. Finite element analyses for RF photoinjector gun cavities

    International Nuclear Information System (INIS)

    This paper details electromagnetical, thermal and structural 3D Finite Element Analyses (FEA) for normal conducting RF photoinjector gun cavities. The simulation methods are described extensively. Achieved results are presented. (orig.)

  13. 银川市不同立地绿化树种结构分析%Analyses of Structure of Greening Tree Species in Different Site of Yinchuan City

    Institute of Scientific and Technical Information of China (English)

    吴晓丽; 马建军; 宋丽华

    2014-01-01

    城市绿化树种是城市园林绿地系统的主体,也是城市绿化的核心,研究城市绿化树种结构,可为城市生物多样性保护提供基础数据。对银川市城市绿化树种群落结构进行了调查统计和比较分析。结果表明,银川市城市绿化的基本格局、树种结构以及树种分布均有待改善。%Urban greening tree species are the main materials of green space system in urban garden and the core of urban greening. It can provide the basic data for urban biodiversity conservation by studying the structure of greening tree species. The structure of greening tree species in Yinchuan city were investigated and analyzed. The results showed that the basic structure, the structure of greening tree species and the distribute of greening tree species in Yinchuan city was needed to be improved.

  14. Contribution au développement d'outils d'analyse de séquences d'images infrarouges : application au contrôle non destructif de structures de Génie Civil

    OpenAIRE

    CRINIERE, Antoine

    2014-01-01

    Le vieillissement du parc d?infrastructures de transport ainsi que l?augmentation du trafic durant les dernières décennies rendent nécessaire le contrôle santé des structures de génie civil. Les travaux conduits dans le cadre de cette thèse portent sur le développement et l?étude de méthodes de diagnostic pré et post endommagement de structures de génie civil couplées à la mise en ?uvre de systèmes de Thermographie infrarouge. Le manuscrit s?articule autour de deux axes. La partie I présente ...

  15. 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.

  16. Analyse des structures en taille de l'anguille européenne en France : application du modèle ELSA aux données de BDMAP

    OpenAIRE

    Lambert, P

    2009-01-01

    Elsa 2.2. model calculates an instantaneous coefficient of mortality from a yellow eel length structure, a female proportion in silver eel escapement and a time series of recruitment. This analysis was performed on 209 clusters of electro-fishing operations extracted from BDMAP database. One cluster corresponds to a homogenous growth and density context. No constraints saturation during the optimization was obtained for 149 cases, with no evident explanation of failure. One not-crisp mode of ...

  17. 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

  18. Mitogenomic analyses from ancient DNA

    DEFF Research Database (Denmark)

    Paijmans, Johanna L.A.; Gilbert, M Thomas P; Hofreiter, Michael

    2013-01-01

    . 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...

  19. Analysing student teachers’ lesson plans

    DEFF Research Database (Denmark)

    Carlsen, Louise Meier

    2015-01-01

    I investigate 17 mathematics student teachers’ productions, in view of examining the synergy and interaction between their mathematical and didactical knowledge. The concrete data material consists in lesson plans elaborated for the final exam of a unit on “numbers, arithmetic and algebra”. The...... anthropological theory of the didactic is used as a framework to analyse these components of practical and theoretical knowledge....

  20. Beskrivende analyse af mekaniske systemer

    DEFF Research Database (Denmark)

    Andreasen, Mogens Myrup; Hansen, Claus Thorp

    Descriptive analysis is the activity, where a given product is analysed for obtaining insight into different aspects, leading to an explicit description of each of these aspects. This textbook is worked out for course 72101 Produktanalyse (Analysis of products) given at DTU....

  1. Study on Genetic Structure of Dahe Black Pig Based on DNA Sequence Analyses of Cytochrome b Gene%基于细胞色素b基因的大河乌猪群体遗传结构研究

    Institute of Scientific and Technical Information of China (English)

    唐利洲; 施晓东; 丁伟; 于龙; 王俊杰; 朱磊; 郭松长

    2013-01-01

    为了弄清大河乌猪群体遗传分化水平和遗传结构,以曲靖市5个地理种群的46个大河乌猪样品为试验材料,采用分子生物学方法测定和分析所有个体的线粒体细胞色素b(Cyt b)基因DNA序列.分子变异分析结果表明,大河乌猪群体遗传变异主要来自种群内(62.63%),说明该物种群体遗传结构不明显.中性检验结果进一步证实,大河乌猪群体曾发生过种群数量扩张.这种不显著的种群结构主要来自于大规模的引种和扩大繁育,致使各地理种群间的遗传趋同和遗传一致性.研究结果有望为大河乌猪分子遗传选育工作提供重要的基础数据,并为其遗传种质资源的保护提供重要参考.%For revealing the level of genetic divergence and genetic structure of Dahe Black pig, this research was implemented using molecular biological methods that sequenced and analyzed the Cyt b DNA sequences based on 46 samples from 5 geographic populations of Qujing city. The AMOVA results showed that most of genetic variation (62. 63%) distributed within populations. This could indicate fully that the whole population genetic structure of this species was not evident because of significant gene flow among different populations. The results of neutrality tests further validated that the instable population structure of this whole group could be affected by the population expansion from the artificial selective breeding and introduction breeding. This instable population structure or lower genetic differentiation could be induced by the large-scale introduction and expanding breeding. The significant gene flow induced the genetic convergence in various geographical populations eventually, population expanding and population genetic diversity declined significantly. This study was expected to provide important scientific basis and data for the molecular genetic breeding of Dahe Black pig and for the manager's effective measures to protect the genetic

  2. Analysing development to shape the future

    OpenAIRE

    Andreas Novy; Lukas Lengauer

    2008-01-01

    This article links theory and politics in a systematic way by proposing Is-Shall-Do as a didactical model for analysing a concrete conjuncture, relating it to the desired future in the form of a concrete utopia. Aware of structural limits and potential space of manoeuvre for political agency adequate practical steps to implement the concrete utopia are elaborated. The paper is divided in a first section which exposes three interwoven aspects of development: the the idea of a good life, the co...

  3. Large scale breeder reactor pump dynamic analyses

    International Nuclear Information System (INIS)

    The lateral natural frequency and vibration response analyses of the Large Scale Breeder Reactor (LSBR) primary pump were performed as part of the total dynamic analysis effort to obtain the fabrication release. The special features of pump modeling are outlined in this paper. The analysis clearly demonstrates the method of increasing the system natural frequency by reducing the generalized mass without significantly changing the generalized stiffness of the structure. Also, a method of computing the maximum relative and absolute steady state responses and associated phase angles at given locations is provided. This type of information is very helpful in generating response versus frequency and phase angle versus frequency plots

  4. Enhancing the dewatering properties of sludge through aimed building-up of floc structures on the basis of detailed morphological analyses; Verbesserung der Entwaesserungseigenschaften von Schlaemmen durch den gezielten Aufbau von Flockenstrukturen auf der Basis detaillierter morphologischer Analysen

    Energy Technology Data Exchange (ETDEWEB)

    Nagel, M.; Ay, P. [Brandenburgische Technische Univ. Cottbus (Germany). Lehrstuhl Aufbereitungstechnik

    1999-07-01

    Aimed building-up of aggregates as they originate in flocculation processes, for instance in sewage and sludge treatment, have especially lately been meeting with increasing resonance: they permit to influence, inter alia, important properties (e.g., the dewatering properties) of such systems. As conventional mathematical methods for the characterization of flocs - as a basis for process optimization - are inadequate or flawed, a concept for the effective characterization of the inner getup of such structures needs to be sought. One approach is cluster analysis, which is demonstrated and discussed in the present paper by means of the evaluation of sectional views of floc structures. (orig.) [German] Der gezielte Aufbau von Aggregaten, wie sie bei Flockungsprozessen z.B. in der Abwasser- und Schlammbehandlung entstehen, findet besonders in juengerer Zeit zunehmend Beachtung, da sich damit unter anderem wichtige Eigenschaften (z.B. die Entwaesserungseigenschaften) dieser Systeme beeinflussen lassen. Da herkoemmliche mathematische Methoden zur Charakterisierung von Flocken - als Basis fuer eine Prozessoptimierung - nur unzureichend bzw. fehlerbehaftet sind, ergibt sich daraus die Notwendigkeit, nach einem Konzept zur effektiven Charakterisierung des inneren Aufbaus solcher Strukturen zu suchen. Ein Ansatz ist die Clusteranalyse, die im Beitrag durch die Auswertung von Schnittbildern von Flockenstrukturen vorgestellt und diskutiert wird. (orig.)

  5. 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

  6. Structure et géographie des réseaux d’innovation. Une analyse des processus d’innovation des entreprises de biotechnologies de Bâle et de Strasbourg

    OpenAIRE

    Klöpper, Christof

    2010-01-01

    Cet article étudie les réseaux d’innovation des entreprises de biotechnologies de Bâle et de Strasbourg au moyen d’une méthode bibliométrique qui permet de les comparer et de les situer dans leur contexte régional. Les résultats montrent que les réseaux d’innovation diffèrent significativement du point de vue de leur structure et de leur géographie. Ces différences peuvent être expliquées notamment par la taille des clusters biotechnologiques, par l’historique des entreprises et par l’environ...

  7. A Comparison of Structural Trend on Business Cost among Jiangsu,Zhejiang and Shanghai and Its Difference Analyses%江、浙、沪商务成本结构性比对及差异性分析

    Institute of Scientific and Technical Information of China (English)

    苏云霞; 孙明贵; 周正柱

    2011-01-01

    本文对江、浙、沪商务成本结构性趋势进行比对,研究差异原因,并探讨对政府和企业的启示。研究表明,一般而言,随着经济发展,要素成本不断上升,交易成本逐步下降,而商务成本总体呈现上升趋势。经过比对,发现要素成本上海最高,江苏最低;交易成本上海最低,粗略认为浙江交易成本略低于江苏。在此基础上,本文分别从政府和企业两个角度,对政府政策与企业选址提出相应对策和建议。%This paper compares the trend of structural changes on business cost among Jiangsu,Zhejiang and Shanghai,researches the cause of its difference and discusses the relevant inspiration for government and enterprises.The trend of structural changes on business cost shows that factor cost is increasing and transaction cost is decreasing.Generally,the economic development will bring about rising of business cost.After comparison we find that factor cost in Shanghai is the highest and factor cost in Jiangsu is the lowest while transaction cost in Shanghai is lowest and transaction cost in Zhejiang is roughly lower than that in Jiangsu.Then this paper gives some proposal for government policies and business location.

  8. Application of RUNTA code in flood analyses

    International Nuclear Information System (INIS)

    Flood probability analyses carried out to date indicate the need to evaluate a large number of flood scenarios. This necessity is due to a variety of reasons, the most important of which include: - Large number of potential flood sources - Wide variety of characteristics of flood sources - Large possibility of flood-affected areas becoming inter linked, depending on the location of the potential flood sources - Diversity of flood flows from one flood source, depending on the size of the rupture and mode of operation - Isolation times applicable - Uncertainties in respect of the structural resistance of doors, penetration seals and floors - Applicable degrees of obstruction of floor drainage system Consequently, a tool which carries out the large number of calculations usually required in flood analyses, with speed and flexibility, is considered necessary. The RUNTA Code enables the range of possible scenarios to be calculated numerically, in accordance with all those parameters which, as a result of previous flood analyses, it is necessary to take into account in order to cover all the possible floods associated with each flood area

  9. The CAMAC logic state analyser

    CERN Document Server

    Centro, Sandro

    1981-01-01

    Summary form only given, as follows. Large electronic experiments using distributed processors for parallel readout and data reduction need to analyse the data acquisition components status and monitor dead time constants of each active readout module and processor. For the UA1 experiment, a microprocessor-based CAMAC logic status analyser (CLSA) has been developed in order to implement these functions autonomously. CLSA is a single unit CAMAC module, able to record, up to 256 times, the logic status of 32 TTL inputs gated by a common clock, internal or external, with a maximum frequency of 2 MHz. The data stored in the internal CLSA memory can be read directly via CAMAC function or preprocessed by CLSA 6800 microprocessor. The 6800 resident firmware (4Kbyte) expands the module features to include an interactive monitor, data recording control, data reduction and histogram accumulation with statistics parameter evaluation. The microprocessor memory and the resident firmware can be externally extended using st...

  10. 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.

  11. Analyse du discours et archive

    OpenAIRE

    Maingueneau, Dominique

    2007-01-01

    Les recherches qui se réclament de "l’analyse du discours" connaissent un développement considérable dans le monde entier ; en revanche, "l’école française d’analyse du discours" (AD) traverse une crise d’identité depuis le début des années 80. Dans cet exposé nous voudrions explorer les raisons de cette crise, puis préciser le concept d’archive qui, à notre sens, permet de prolonger la voie ouverte à la fin des années 1960. Mais il ne s’agit que d’une des voies possibles, dès lors que, comme...

  12. 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 standa...... 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....

  13. Tematisk analyse af amerikansk hiphop

    OpenAIRE

    Tranberg-Hansen, Katrine; Bøgh Larsen, Cecilie; Jeppsson,Louise Emilie; Lindberg Kirkegaard, Nanna; Funch Madsen, Signe; Bülow Bach, Maria

    2013-01-01

    This paper examines the possible development in the function of American hiphop. It focuses on specific themes like ghetto, freedom, rebellion, and racial discrimination in hiphop music. To investigate this possible development two text analysis methods are used: a pragmatic and a stylistic text analysis, and a historical method is used: a source criticism. A minimal amount of literature has been published on how hiphop culture arose. The-­‐ se studies, however, make it possible to analyse...

  14. 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. PMID:12438776

  15. Biological aerosol warner and analyser

    Science.gov (United States)

    Schlemmer, Harry; Kürbitz, Gunther; Miethe, Peter; Spieweck, Michael

    2006-05-01

    The development of an integrated sensor device BiSAM (Biological Sampling and Analysing Module) is presented which is designed for rapid detection of aerosol or dust particles potentially loaded with biological warfare agents. All functional steps from aerosol collection via immuno analysis to display of results are fully automated. The core component of the sensor device is an ultra sensitive rapid analyser PBA (Portable Benchtop Analyser) based on a 3 dimensional immuno filtration column of large internal area, Poly HRP marker technology and kinetic optical detection. High sensitivity despite of the short measuring time, high chemical stability of the micro column and robustness against interferents make the PBA an ideal tool for fielded sensor devices. It is especially favourable to combine the PBA with a bio collector because virtually no sample preparation is necessary. Overall, the BiSAM device is capable to detect and identify living micro organisms (bacteria, spores, viruses) as well as toxins in a measuring cycle of typically half an hour duration. In each batch up to 12 different tests can be run in parallel together with positive and negative controls to keep the false alarm rate low.

  16. 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.

  17. Molecular structures, charge distributions, and vibrational analyses of the tetracoordinate Cu(II), Zn(II), Cd(II), and Hg(II) bromide complexes of p-toluidine investigated by density functional theory in comparison with experiments

    Science.gov (United States)

    Bardakçı, Tayyibe; Kumru, Mustafa; Altun, Ahmet

    2016-07-01

    The Cu(II), Zn(II), Cd(II), and Hg(II) bromide complexes of p-toluidine have been studied with B3LYP calculations by using def2-TZVP basis set at the metal atoms and using def2-TZVP and 6-311G+(d,p) basis sets at the remaining atoms. Both basis set combinations give analogous results, which validate the use of quickly converging 6-311G+(d,p) basis set in future studies. The molecular structures, atomic charge and spin distributions, and harmonic vibrational frequencies of the complexes have been calculated. The Zn, Cd and Hg complexes have been found to have distorted tetrahedral environments around the metal atoms whereas Cu complex has a square planar geometry. The NBO charge analysis have been found more accurate and less misleading compared with the Mulliken scheme. The present vibrational spectra calculations allow accurate assignment of the vibrational bands, which otherwise assigned tentatively in previous experimental-only studies.

  18. Hyperfine structure analysis in magnetic resonance spectroscopy: from astrophysical measurements towards endogenous biosensors in human tissue; Hyperfeinstruktur-Analyse in der Magnetresonanzspektroskopie: von astrophysikalischen Messungen zu endogenen Biosensoren in menschlichem Gewebe

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, L. [Deutsches Krebsforschungszentrum, Heidelberg (Germany). Medizinische Physik in der Radiologie; California Univ., Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab., Berkeley, CA (United States). Dept. of Chemistry

    2007-07-01

    The hyperfine interaction of two spins is a well studied effect in atomic systems. Magnetic resonance experiments demonstrate that the detectable dipole transitions are determined by the magnetic moments of the constituents and the external magnetic field. Transferring the corresponding quantum mechanics to molecular bound nuclear spins allows for precise prediction of NMR spectra obtained from metabolites in human tissue. This molecular hyperfine structure has been neglected so far in in vivo NMR spectroscopy but contains useful information, especially when studying molecular dynamics. This contribution represents a review of the concept of applying the Breit-Rabi formalism to coupled nuclear spins and discusses the immobilization of different metabolites in anisotropic tissue revealed by 1H NMR spectra of carnosine, phosphocreatine and taurine. Comparison of atomic and molecular spin systems allows for statements on the biological constraints for direct spin-spin interactions. Moreover, the relevance of hyperfine effects on the line shapes of multiplets of indirectly-coupled spin systems with more than two constituents can be predicted by analyzing quantum mechanical parameters. As an example, the superposition of eigenstates of the AMX system of adenosine 5'-triphosphate and its application for better quantification of 31P-NMR spectra will be discussed. (orig.)

  19. Evaluation of Model Operational Analyses during DYNAMO

    Science.gov (United States)

    Ciesielski, Paul; Johnson, Richard

    2013-04-01

    A primary component of the observing system in the DYNAMO-CINDY2011-AMIE field campaign was an atmospheric sounding network comprised of two sounding quadrilaterals, one north and one south of the equator over the central Indian Ocean. During the experiment a major effort was undertaken to ensure the real-time transmission of these data onto the GTS (Global Telecommunication System) for dissemination to the operational centers (ECMWF, NCEP, JMA, etc.). Preliminary estimates indicate that ~95% of the soundings from the enhanced sounding network were successfully transmitted and potentially used in their data assimilation systems. Because of the wide use of operational and reanalysis products (e.g., in process studies, initializing numerical simulations, construction of large-scale forcing datasets for CRMs, etc.), their validity will be examined by comparing a variety of basic and diagnosed fields from two operational analyses (ECMWF and NCEP) to similar analyses based solely on sounding observations. Particular attention will be given to the vertical structures of apparent heating (Q1) and drying (Q2) from the operational analyses (OA), which are strongly influenced by cumulus parameterizations, a source of model infidelity. Preliminary results indicate that the OA products did a reasonable job at capturing the mean and temporal characteristics of convection during the DYNAMO enhanced observing period, which included the passage of two significant MJO events during the October-November 2011 period. For example, temporal correlations between Q2-budget derived rainfall from the OA products and that estimated from the TRMM satellite (i.e., the 3B42V7 product) were greater than 0.9 over the Northern Sounding Array of DYNAMO. However closer inspection of the budget profiles show notable differences between the OA products and the sounding-derived results in low-level (surface to 700 hPa) heating and drying structures. This presentation will examine these differences and

  20. Comparison of elastic and inelastic analyses

    International Nuclear Information System (INIS)

    The use of inelastic analysis methods instead of the traditional elastic analysis methods in the design of radioactive material (RAM) transport packagings leads to a better understanding of the response of the package to mechanical loadings. Thus, better assessment of the containment, thermal protection, and shielding integrity of the package after a structure accident event can be made. A more accurate prediction of the package response can lead to enhanced safety and also allow for a more efficient use of materials, possibly leading to a package with higher capacity or lower weight. This paper discusses the advantages and disadvantages of using inelastic analysis in the design of RAM shipping packages. The use of inelastic analysis presents several problems to the package designer. When using inelastic analysis the entire nonlinear response of the material must be known, including the effects of temperature changes and strain rate. Another problem is that there currently is not an acceptance criteria for this type of analysis that is approved by regulatory agencies. Inelastic analysis acceptance criteria based on failure stress, failure strain , or plastic energy density could be developed. For both elastic and inelastic analyses it is also important to include other sources of stress in the analyses, such as fabrication stresses, thermal stresses, stresses from bolt preloading, and contact stresses at material interfaces. Offsetting these added difficulties is the improved knowledge of the package behavior. This allows for incorporation of a more uniform margin of safety, which can result in weight savings and a higher level of confidence in the post-accident configuration of the package. In this paper, comparisons between elastic and inelastic analyses are made for a simple ring structure and for a package to transport a large quantity of RAM by rail (rail cask) with lead gamma shielding to illustrate the differences in the two analysis techniques

  1. Développement d'un dispositif expérimental pour l'analyse de la structure de flammes de prémélanges à haute pression par diagnostics laser : application aux flammes méthane/air et biogaz/air

    OpenAIRE

    Matynia, Alexis

    2011-01-01

    L'optimisation des systèmes de production d'énergie par combustion requiert une connaissance précise de la cinétique de combustion. Cependant, la majorité des systèmes de production d'énergie par combustion fonctionnent à haute pression et il est reconnu que la pression a une influence sur la cinétique de combustion. En laboratoire, l'analyse de la structure de flamme laminaire se présente comme un outil puissant pour étudier la chimie de la combustion. A ce jour, la plupart des travaux menés...

  2. 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

  3. Analyses of Differences in the Maternal Structure of Different Geographical Domestic Horses%不同地理区间上家马母系结构的差异分析

    Institute of Scientific and Technical Information of China (English)

    陈建兴; 孙玉江; 潘庆杰; 闵令江; 芒来

    2012-01-01

    为了分析家马在世界各地理区间上的遗传结构差异,对家马遗传资源评价提供有益帮助,并对其母性起源和驯化提供一些分子生物学依据.对4个家马品种(蒙古马、锡尼河马、三河马和纯血马)共36个个体的mtDNA Cytb基因全序列进行了扩增和测序,并结合目前GenBank上登录的世界各地所有家马Cytb全序列进行分析,共检测到86种单倍型80个多态位点,其单倍型多样度为0.946,核苷酸多样度为0.00454,表明家马的遗传多态性比较丰富.首次通过将各品种家马根据地理区域划分为北美、西欧、东欧、中东、中亚、东亚6个类群以Cytb全序列作为标记比较母系遗传结构差异.结果表明:北美类群和亚洲类群之间差异较显著,而其余类群间则差异不显著,一方面说明亚欧大陆各地区马种之间母系基因渗透现象比较严重;另一方面一定程度上支持北美马种来自欧洲的论断.构建的Median Joining网络聚类图显示,所有家马的母系起源于A-G7个单倍型群,进一步支持家马多重母系起源的观点.并且,家马各单倍型群都是由多个地理区间上分布的家马混杂而成的,即未发现由单独一种地理区间的家马构成的单倍型群,即地理位置、母系构成以及母性起源之间没有明显的相互关系.%The aim of this study was to analyze the genetically structural differences of different geographical domestic horses and provide some molecular biology evidences for the maternal origins and domestication of the horses. The better knowledge about it was helpful for the evaluation of the genetic resources of the horses. We investigated the complete mitochondrial Cytb sequence of 36 samples from four horse breeds, Mongolian horse, Xinihe horse, Sanhe horse and Thoroughbred by amplification and direct sequencing. Combining with all the horse Cytb sequences deposited in GenBank, a total of 219 horse Cytb sequences were collected. 86

  4. 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.

  5. Chapter No.4. Safety analyses

    International Nuclear Information System (INIS)

    In 2001 the activity in the field of safety analyses was focused on verification of the safety analyses reports for NPP V-2 Bohunice and NPP Mochovce concerning the new profiled fuel and probabilistic safety assessment study for NPP Mochovce. The calculation safety analyses were performed and expert reviews for the internal UJD needs were elaborated. An important part of work was performed also in solving of scientific and technical tasks appointed within bilateral projects of co-operation between UJD and its international partnership organisations as well as within international projects ordered and financed by the European Commission. All these activities served as an independent support for UJD in its deterministic and probabilistic safety assessment of nuclear installations. A special attention was paid to a review of probabilistic safety assessment study of level 1 for NPP Mochovce. The probabilistic safety analysis of NPP related to the full power operation was elaborated in the study and a contribution of the technical and operational improvements to the risk decreasing was quantified. A core damage frequency of the reactor was calculated and the dominant initiating events and accident sequences with the major contribution to the risk were determined. The target of the review was to determine the acceptance of the sources of input information, assumptions, models, data, analyses and obtained results, so that the probabilistic model could give a real picture of the NPP. The review of the study was performed in co-operation of UJD with the IAEA (IPSART mission) as well as with other external organisations, which were not involved in the elaboration of the reviewed document and probabilistic model of NPP. The review was made in accordance with the IAEA guidelines and methodical documents of UJD and US NRC. In the field of calculation safety analyses the UJD activity was focused on the analysis of an operational event, analyses of the selected accident scenarios

  6. Analyses on species composition and community structure of “Fengshui woods” in Luogang District in Guangzhou City%广州市萝岗区风水林植物组成及群落结构分析

    Institute of Scientific and Technical Information of China (English)

    易绮斐; 王发国; 刘东明; 陈红锋; 邢福武

    2012-01-01

    通过野外实地调查,对广州市萝岗区风水林的植物组成及群落结构进行了分析.结果表明:萝岗区单个风水林面积为40 ~600 hm2,共有维管植物112科255属387种;其中,蕨类植物15科21属35种,裸子植物1科1属2种,被子植物96科233属350种;草本和乔木种类较多,分别有122和111种;灌木和藤本种类较少,分别有84和70种;其中,包含国家级珍稀保护植物5种和一些需要关注的种类,以及林下凤尾蕨(Pteris grevilleana Wall.ex Agardh)和虎克鳞盖蕨[Microlepia hookeriana (Wall.) Presl]2种广州市新记录种.优势科较明显,包含茜草科(Rubiaceae)、菊科(Compositae)、大戟科(Euphorbiaceae)、禾本科(Poaceae)、蝶形花科(Papilionaceae)、樟科( Lauraceae)等;虽然寡属科和寡种科所占比例较大,但包含种数较少;寡种属所占比例较大,占总属数的90.59%.植被类型属于南亚热带季风常绿阔叶林,以南亚热带常绿树种为主,可分为乔木层、灌木层和草本层,层间有丰富的藤本植物;作为群落的主体结构,木本植物较草本植物有优势.群落优势建群种主要为樟科、大戟科、壳斗科(Fagaceae)、山茶科(Theaceae)、胡桃科(Juglandaceae)和苏木科(Caesalpiniaceae)等科的种类,依据优势种不同可划分为13个群系.根据调查结果,对广州市萝岗区风水林的保护和资源利用提出了建议.%The species composition and community structure of "Fengshui woods" in Luogang District in Guangzhou City were analyzed by field investigation. The results show that area of a "Fengshui woods" in Luogang District in Guangzhou City is 40-600 hm2 and there are 387 species of vascular plants belonging to 255 genera in 112 families. In which, there are 35 species of pteridophyte belonging to 21 genera in 15 families, 2 species of gymnosperm belonging to 1 genus in 1 family and 350 species of angiosperm belonging to 233 genera in 96 families. And among these species, herbs

  7. 我国冻雨时空分布及温湿结构特征分析%Analyses on Spatial-Temporal Distributions and Temperature-Moisture Structure of Freezing Rain in China

    Institute of Scientific and Technical Information of China (English)

    欧建军; 周毓荃; 杨棋; 潘留杰

    2011-01-01

    The spatial and temporal distributions of the freezing rain in China is analyed using the surface observation data from January 2008 to April 2010. And then, the vertical structures of cloud and atmospheric temperature from sounding, for example, the relative locations of cloud top height and warm layers (T>0℃), are used to study the temperature and moisture structures and the type of formation mechanism of freezing rain. The results show that the freezing rain occurs mostly from November to March, with the highest concentration in January (accounting for 72% of the total number). Over 90% of all freezing rain occur the areas to the south of Yangtze River, leaving only a few to other regions. According to different formation mechanisms, freezing rain can be divided to two patterns: Warm rain mechanism (WRM) and ice-phase mechanism (I -PM). The WRM account for 72%, while I-PM only 27%, among of all freezing rain detected here. The cloud top heights of WRM are low (below 3 km), while those for I - PM are relatively higher(reaching 9 km); The temperature of ground(instrument shelter) is lower than 0 ℃ ; The thickness of I-PM warm layers is basically more than 1 km and their maximum temperatures are higher than 3 ℃. It is likely that formation mechanism of freezing rain is regionally variable, with I-PM almost solemnly dominates in regions to the north of 30°N, and two mechanisms both exist in regions to the south of 30°N. Affecting by topography, WRM occurs more often than the other in high-altitude areas.%利用2008年1月-2010年4月全国常规地面观测资料和探空资料,根据地面观测冻雨记录,分析了我国冻雨的时空分布规律,并依据冻雨发生时探空分析的云顶同暖层(>0℃)相对位置等结构配置,初步研究了冻雨温湿结构特征和形成的物理机制类型。结果表明,我国冻雨一般从11月开始,到来年3月结束,以1月居多(占72%);冻雨多发生在长

  8. Advanced handbook for accident analyses of German nuclear power plants

    International Nuclear Information System (INIS)

    The advanced handbook of safety analyses (HSA) comprises a comprehensive electronic collection of knowledge for the compilation and conduction of safety analyses in the area of reactor, plant and containment behaviour as well as results of existing safety analyses (performed by GRS in the past) with characteristic specifications and further background information. In addition, know-how from the analysis software development and validation process is presented and relevant rules and regulations with regard to safety demonstration are provided. The HSA comprehensively covers the topic thermo-hydraulic safety analyses (except natural hazards, man-made hazards and malicious acts) for German pressurized and boiling water reactors for power and non-power operational states. In principle, the structure of the HSA-content represents the analytical approach utilized by safety analyses and applying the knowledge from safety analyses to technical support services. On the basis of a multilevel preparation of information to the topics ''compilation of safety analyses'', ''compilation of data bases'', ''assessment of safety analyses'', ''performed safety analyses'', ''rules and regulation'' and ''ATHLET-validation'' the HSA addresses users with different background, allowing them to enter the HSA at different levels. Moreover, the HSA serves as a reference book, which is designed future-oriented, freely configurable related to the content, completely integrated into the GRS internal portal and prepared to be used by a growing user group.

  9. 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

  10. Análise estrutural de uma hidroxiapatita carbonatada pelo método de Rietveld aplicando funções de perfil diferentes Structural analyse of a carbonated hydroxyapatite by the Rietveld method using different profile functions

    Directory of Open Access Journals (Sweden)

    Jorge C. de Araújo

    2008-12-01

    Full Text Available A estrutura cristalina de uma hidroxiapatita sintética com 12,8(±0,64% em peso de íons CO3(2- foi analisada por difração de raios X através do método de Rietveld de refinamento utilizando as funções Pearson VII e pseudo-Voigt para o ajuste do perfil. Os resultados obtidos para os parâmetros da célula unitária, quando comparados à amostra de referência de hidroxiapatita, mostraram contração do parâmetro a (=b e uma expansão do c, não havendo variações significativas para as diferentes funções de ajuste utilizadas. A separação dos alargamentos anisotrópicos das reflexões decorrentes das microdeformações da célula unitária indicou que esse efeito é dominante no alargamento das linhas de reflexão, notadamente para os planos (hkl com distância interplanar inferior a 2,24 Å. Foram notadas modificações nas coordenadas atômicas dos átomos do C nos sítios referentes aos grupos PO4(3- (sítio B e OH- (sítio A. Os tamanhos médios dos cristalitos em nanômetros estimados nas direções (002 e (300 mostraram morfologia aproximadamente equiaxial. Os valores para o teor em peso de íons carbonato na amostra foram de 11,72 (±0,64% com a Pearson VII e 13,20 (±0,64% com a função pseudo-Voigt. O refinamento dos fatores ocupacionais dos átomos de C nos dois sítios considerados PO4(3- (B e OH- (A indicou maior presença desse íon no sítio B. Entretanto a ocupação relativa do átomo C no sítio B foi menor do que a observada no sítio A.The crystal structure of the synthetic hydroxyapatite with 12.8 (±0,64 wt. % CO3(2- ion content was analyzed by X-ray diffraction using the Rietveld refinement method employing Pearson VII and pseudo-Voigt functions to fit the X-ray profile. The results obtained for unit cell parameters when compared to pattern hydroxyapatite showed a decrease in the a (=b parameter and an increase in the c parameter without significant difference between the functions employed. The separation of

  11. 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

  12. 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.......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....

  13. 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...

  14. Computational Analyses of Arabic Morphology

    CERN Document Server

    Kiraz, G A

    1994-01-01

    This paper demonstrates how a (multi-tape) two-level formalism can be used to write two-level grammars for Arabic non-linear morphology using a high level, but computationally tractable, notation. Three illustrative grammars are provided based on CV-, moraic- and affixational analyses. These are complemented by a proposal for handling the hitherto computationally untreated problem of the broken plural. It will be shown that the best grammars for describing Arabic non-linear morphology are moraic in the case of templatic stems, and affixational in the case of a-templatic stems. The paper will demonstrate how the broken plural can be derived under two-level theory via the `implicit' derivation of the singular.

  15. 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.

  16. Economical analyses in interventional radiology

    International Nuclear Information System (INIS)

    Considerations about the relation between benefit and expenses are also gaining increasing importance in interventional radiology. This review aims at providing a survey about the published data concerning economical analyses of some of the more frequently employed interventions in radiology excluding neuroradiological and coronary interventions. Because of the relative scarcity of literature in this field, all identified articles (n=46) were included without selection for methodological quality. For a number of radiological interventions the cost-effectiveness has already been demonstrated, e.g., PTA of femoropopliteal and iliac artery stenoses, stenting of renal artery stenoses, placement of vena-cava filters, as well as metal stents in malignant biliary and esophageal obstructions. Conflicting data exist for the treatment of abdominal aortic aneurysms. So far, no analysis could be found that directly compares bypass surgery versus PTA+stent in iliac arteries. (orig.)

  17. Uncertainty and Sensitivity Analyses Plan

    International Nuclear Information System (INIS)

    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

  18. Analyse des besoins des usagers

    OpenAIRE

    KHOUDOUR,L; LANGLAIS,A; Charpentier, C.; MOTTE,C; PIAN,C

    2002-01-01

    Il s'agit d'étendre la surveillance vidéo de l'enceinte du métro vers l'intérieur des rames. Les images captées constituent des prises de vue des événements qui se déroulent à l'intérieur des véhicules afin notamment d'améliorer la sécurité des usagers transportes. Il est possible de mémoriser les images des quelques instants précédant un incident usager, d'analyser ces images en temps différé et de mieux appréhender en temps réel le comportement des usagers face à des événements ou des consi...

  19. Analysing the Wrongness of Killing

    DEFF Research Database (Denmark)

    Di Nucci, Ezio

    2016-01-01

    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....

  20. 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.

  1. Isotopic signatures by bulk analyses

    International Nuclear Information System (INIS)

    Los Alamos National Laboratory has developed a series of measurement techniques for identification of nuclear signatures by analyzing bulk samples. Two specific applications for isotopic fingerprinting to identify the origin of anthropogenic radioactivity in bulk samples are presented. The first example is the analyses of environmental samples collected in the US Arctic to determine the impact of dumping of radionuclides in this polar region. Analyses of sediment and biota samples indicate that for the areas sampled the anthropogenic radionuclide content of sediments was predominantly the result of the deposition of global fallout. The anthropogenic radionuclide concentrations in fish, birds and mammals were very low. It can be surmised that marine food chains are presently not significantly affected. The second example is isotopic fingerprinting of water and sediment samples from the Rocky Flats Facility (RFP). The largest source of anthropogenic radioactivity presently affecting surface-waters at RFP is the sediments that are currently residing in the holding ponds. One gram of sediment from a holding pond contains approximately 50 times more plutonium than 1 liter of water from the pond. Essentially 100% of the uranium in Ponds A-1 and A-2 originated as depleted uranium. The largest source of radioactivity in the terminal Ponds A-4, B-5 and C-2 was naturally occurring uranium and its decay product radium. The uranium concentrations in the waters collected from the terminal ponds contained 0.05% or less of the interim standard calculated derived concentration guide for uranium in waters available to the public. All of the radioactivity observed in soil, sediment and water samples collected at RFP was naturally occurring, the result of processes at RFP or the result of global fallout. No extraneous anthropogenic alpha, beta or gamma activities were detected. The plutonium concentrations in Pond C-2 appear to vary seasonally

  2. Learner as Statistical Units of Analyses

    Directory of Open Access Journals (Sweden)

    Vivek Venkatesh

    2011-01-01

    Full Text Available Educational psychologists have researched the generality and specificity of metacognitive monitoring in the context of college-level multiple-choice tests, but fairly little is known as to how learners monitor their performance on more complex academic tasks. Even lesser is known about how monitoring proficiencies such as discrimination and bias might be related to key self-regulatory processes associated with task understanding. This quantitative study explores the relationship between monitoring proficiencies and task understanding in 39 adult learners tackling ill-structured writing tasks for a graduate “theories of e-learning” course. Using learner as unit of analysis, the generality of monitoring is confirmed through intra-measure correlation analyses while facets of its specificity stand out due to the absence of inter-measure correlations. Unsurprisingly, learner-based correlational and repeated measures analyses did not reveal how monitoring proficiencies and task understanding might be related. However, using essay as unit of analysis, ordinal and multinomial regressions reveal how monitoring influences different levels of task understanding. Results are interpreted not only in light of novel procedures undertaken in calculating performance prediction capability but also in the application of essay-based, intra-sample statistical analysis that reveal heretofore unseen relationships between academic self-regulatory constructs.

  3. 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.

  4. 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)

  5. Experimental technique of stress analyses by neutron diffraction

    International Nuclear Information System (INIS)

    The structures and main components of neutron diffraction stress analyses spectrometer, SALSA, as well as functions and parameters of each components are presented. The technical characteristic and structure parameters of SALSA are described. Based on these aspects, the choice of gauge volume, method of positioning sample, determination of diffraction plane and measurement of zero stress do are discussed. Combined with the practical experiments, the basic experimental measurement and the related settings are introduced, including the adjustments of components, pattern scattering, data recording and checking etc. The above can be an instruction for stress analyses experiments by neutron diffraction and neutron stress spectrometer construction. (authors)

  6. Infrared and structural analyses of uranium oxidation products: preliminary results

    Energy Technology Data Exchange (ETDEWEB)

    Fuller, E.L. Jr.; Smyrl, N.R.; Eager, M.H.; Condon, J.B.

    1981-08-01

    Water vapor oxidation of uranium follows a cyclic process: (1) rapid oxidation to form a thin dense, adherent layer of uranium dioxide, (2) slow diffusion of H/sub 2/O and H/sub 2/ through this oxide, until (3) a thickness of 0.2 to 0.3 nm is achieved in a strained state that (4) relaxes from the surface allowing further (1) contiguous oxide formation and finally (5) the shards of oxide comprised of oxide laminae spall completely free of the metal surface. The oxide thus formed is hydrated on the surface. Diffuse reflectance infrared Fourier transform spectroscopy shows that these are several distinct modes of water binding delineated with respect to energetics and reversibility. Scanning electron microscopy aids immensely in defining the nature of the laminae. Implications and suggestions for further work are given to aid in a better understanding of corrosion processes.

  7. 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.

  8. On study design in neuroimaging heritability analyses

    Science.gov (United States)

    Koran, Mary Ellen; Li, Bo; Jahanshad, Neda; Thornton-Wells, Tricia A.; Glahn, David C.; Thompson, Paul M.; Blangero, John; Nichols, Thomas E.; Kochunov, Peter; Landman, Bennett A.

    2014-03-01

    Imaging genetics is an emerging methodology that combines genetic information with imaging-derived metrics to understand how genetic factors impact observable structural, functional, and quantitative phenotypes. Many of the most well-known genetic studies are based on Genome-Wide Association Studies (GWAS), which use large populations of related or unrelated individuals to associate traits and disorders with individual genetic factors. Merging imaging and genetics may potentially lead to improved power of association in GWAS because imaging traits may be more sensitive phenotypes, being closer to underlying genetic mechanisms, and their quantitative nature inherently increases power. We are developing SOLAR-ECLIPSE (SE) imaging genetics software which is capable of performing genetic analyses with both large-scale quantitative trait data and family structures of variable complexity. This program can estimate the contribution of genetic commonality among related subjects to a given phenotype, and essentially answer the question of whether or not the phenotype is heritable. This central factor of interest, heritability, offers bounds on the direct genetic influence over observed phenotypes. In order for a trait to be a good phenotype for GWAS, it must be heritable: at least some proportion of its variance must be due to genetic influences. A variety of family structures are commonly used for estimating heritability, yet the variability and biases for each as a function of the sample size are unknown. Herein, we investigate the ability of SOLAR to accurately estimate heritability models based on imaging data simulated using Monte Carlo methods implemented in R. We characterize the bias and the variability of heritability estimates from SOLAR as a function of sample size and pedigree structure (including twins, nuclear families, and nuclear families with grandparents).

  9. Severe Accident Recriticality Analyses (SARA)

    International Nuclear Information System (INIS)

    Recriticality in a BWR has been studied for a total loss of electric power accident scenario. In a BWR, the B4C 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 rate

  10. 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

  11. NOx analyser interefence from alkenes

    Science.gov (United States)

    Bloss, W. J.; Alam, M. S.; Lee, J. D.; Vazquez, M.; Munoz, A.; Rodenas, M.

    2012-04-01

    Nitrogen oxides (NO and NO2, collectively NOx) are critical intermediates in atmospheric chemistry. NOx abundance controls the levels of the primary atmospheric oxidants OH, NO3 and O3, and regulates the ozone production which results from the degradation of volatile organic compounds. NOx are also atmospheric pollutants in their own right, and NO2 is commonly included in air quality objectives and regulations. In addition to their role in controlling ozone formation, NOx levels affect the production of other pollutants such as the lachrymator PAN, and the nitrate component of secondary aerosol particles. Consequently, accurate measurement of nitrogen oxides in the atmosphere is of major importance for understanding our atmosphere. The most widely employed approach for the measurement of NOx is chemiluminescent detection of NO2* from the NO + O3 reaction, combined with NO2 reduction by either a heated catalyst or photoconvertor. The reaction between alkenes and ozone is also chemiluminescent; therefore alkenes may contribute to the measured NOx signal, depending upon the instrumental background subtraction cycle employed. This interference has been noted previously, and indeed the effect has been used to measure both alkenes and ozone in the atmosphere. Here we report the results of a systematic investigation of the response of a selection of NOx analysers, ranging from systems used for routine air quality monitoring to atmospheric research instrumentation, to a series of alkenes ranging from ethene to the biogenic monoterpenes, as a function of conditions (co-reactants, humidity). Experiments were performed in the European Photoreactor (EUPHORE) to ensure common calibration, a common sample for the monitors, and to unequivocally confirm the alkene (via FTIR) and NO2 (via DOAS) levels present. The instrument responses ranged from negligible levels up to 10 % depending upon the alkene present and conditions used. Such interferences may be of substantial importance

  12. Causal mediation analyses with rank preserving models.

    Science.gov (United States)

    Have, Thomas R Ten; Joffe, Marshall M; Lynch, Kevin G; Brown, Gregory K; Maisto, Stephen A; Beck, Aaron T

    2007-09-01

    We present a linear rank preserving model (RPM) approach for analyzing mediation of a randomized baseline intervention's effect on a univariate follow-up outcome. Unlike standard mediation analyses, our approach does not assume that the mediating factor is also randomly assigned to individuals in addition to the randomized baseline intervention (i.e., sequential ignorability), but does make several structural interaction assumptions that currently are untestable. The G-estimation procedure for the proposed RPM represents an extension of the work on direct effects of randomized intervention effects for survival outcomes by Robins and Greenland (1994, Journal of the American Statistical Association 89, 737-749) and on intervention non-adherence by Ten Have et al. (2004, Journal of the American Statistical Association 99, 8-16). Simulations show good estimation and confidence interval performance by the proposed RPM approach under unmeasured confounding relative to the standard mediation approach, but poor performance under departures from the structural interaction assumptions. The trade-off between these assumptions is evaluated in the context of two suicide/depression intervention studies. PMID:17825022

  13. PROFESSIONALISM: GENESIS AND CATEGORICAL ANALYSES

    Directory of Open Access Journals (Sweden)

    Ирина Олеговна Авдеева

    2013-12-01

    Full Text Available In the article the theoretical-methodological analysis of the concept of «professional», describes the genesis and key aspects of its content and structure. In addition, this publication discusses some of the approaches to the definition of the studied concepts, including: system (professional it seems as multipart strictly organized education of consciousness and psyche of the individual; professional graphic (from a position of objective (professional description and subjective (mental graph the parties; integrative (as property, process, and status of the person; acmeological (as the dialectical the unity of the personality and activity components; in terms of motivation and operating parties and other Stresses the importance of personal (theoretical knowledge, professional qualities, value orientations, motivational orientation of others and specific features of labour employee (practical skills, professional experience and other, determining the effectiveness of its activities.DOI: http://dx.doi.org/10.12731/2218-7405-2013-10-12

  14. 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.

  15. Nuclear Analyses For ITER NB System

    International Nuclear Information System (INIS)

    Full text: Detailed nuclear analyses for the latest ITER NB system are required to ensure that NB design conforms to the nuclear regulations and licensing. A variety of nuclear analyses was conducted for the NB system including a tokamak building and outside the building by using Monte Carlo code MCNP5.14, activation code ACT-4 and Fusion Evaluated Nuclear Data Library FENDL-2.1. A special “Direct 1-step Monte Carlo” method is adopted for the shutdown dose rate calculation. The NB system and the tokamak building are very complicated, and it is practically impossible to make geometry input data manually. We used the automatic converter code GEOMIT from CAD data to MCNP geometry input data. GEOMIT was improved for these analyses, and the conversion performance was drastically enhanced. Void cells in MCNP input data were generated by subtracting solid cells data from simple rectangular void cells. The CAD data were successfully converted to MCNP geometry input data, and void data were also adequately produced with GEOMIT. The effective dose rates at external zones (non-controlled areas) should be less than 80 μSv/month according to French regulations. Shielding structures are under analysis to reduce the radiation streaming through the openings. We are confirming that the criterion is satisfied for the NB system. The effective dose rate data in the NB cell after shutdown are necessary to check the dose rate during possible rad-works for maintenance. Dose rates for workers must be maintained as low as reasonably achievable, and at locations where hands-on maintenance is performed should be below a target of 100 μSv/h at 12 days after shutdown. We are specifying the adequate zoning and area where hands-on maintenance can be allowed, based on the analysis results. The cask design for transport activated NB components is an important issue, and we are calculating the effective dose rates. The target of the effective dose rate from the activated NB components is less

  16. D-STAG : un formalisme d'analyse automatique de discours basé sur les TAG synchrones

    OpenAIRE

    Danlos, Laurence

    2009-01-01

    Nous proposons D-STAG, un nouveau formalisme pour l'analyse automatique de la structure discursive des textes. Les analyses produites par D-STAG sont des structures de discours hiérarchiques annotées de relations de discours, qui sont compatibles avec les structures de discours produites en SDRT. L'analyse discursive prolonge l'analyse phrastique, sans modifier celle-ci, ce qui rend envisageable la mise en oeuvre d'un analyseur de discours.

  17. 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

  18. 10 CFR 436.24 - Uncertainty analyses.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Uncertainty analyses. 436.24 Section 436.24 Energy... Procedures for Life Cycle Cost Analyses § 436.24 Uncertainty analyses. If particular items of cost data or... impact of uncertainty on the calculation of life cycle cost effectiveness or the assignment of rank...

  19. Monitoring of test roads with MSWI bottom ash in the sub-base. Measurements with falling weight deflectometer on test structures in Malmoe and Umeaa. Analyses of ground water and leachate along test structures in Umeaa; Uppfoeljning av slaggrusprovvaegar. Fallviktsmaetning paa provstraeckor paa Toerringevaegen i Malmoe och Daavamyran i Umeaa. Grundvatten- och lakvattenanalyser paa provstraeckor vid Daavamyran i Umeaa

    Energy Technology Data Exchange (ETDEWEB)

    Arm, Maria; Larsson, Lennart; Tiberg, Charlotta; Lind, Bo; Arvidslund, Ola

    2008-12-15

    A number of test roads and test areas with processed municipal solid waste incinerator bottom ash, here called MSWI gravel, have been built in Sweden during the last 10-15 years. The main purpose of the projects reported here was to take advantage of the existing test roads to increase the knowledge of the long-term strength and environmental impact of MSWI gravel, when it is used as a road material. Two test roads with MSWI gravel in the sub-base were monitored through falling weight deflectometer (FWD) measurements and, for one of the roads, by means of sampling and analyses of groundwater and leachate within and along the road. The first road, constructed in 1998, is named Toerringevaegen and is situated outside Malmoe in the south of Sweden. The second road, Daava test road, was constructed in 2001 and is situated outside Umeaa in the north of Sweden. The roads were monitored regarding strength from 2004 to 2008 and Daava test road was also monitored regarding environmental impact from 2006 to 2008. For both roads, comparison was made over time and between the test sections with MSWI gravel and reference sections with crushed rock. Comparison was also made with results from previous studies on these test roads, resulting in a uniquely long monitoring period. The results from Toerringevaegen show that the road section with MSWI gravel in the sub-base retains its strength after several years. The three measurements performed at the Daava road revealed an initially decreasing strength and then a stabilisation. As in previous studies, the strength of the MSWI gravel was found to be about 70% of that of the crushed rock, which has to be taken into account in the design phase. It was concluded that regarding the strength properties MSWI gravel is suitable as sub-base material if the road is properly designed. It can also be used as a filling material, in embankments and as a capping layer. This confirms the conclusions from previous studies. The results from the

  20. Nonlinear Analyses of Adobe Masonry Walls Reinforced with Fiberglass Mesh

    Directory of Open Access Journals (Sweden)

    Vincenzo Giamundo

    2014-02-01

    Full Text Available Adobe constructions were widespread in the ancient world, and earth was one of the most used construction materials in ancient times. Therefore, the preservation of adobe structures, especially against seismic events, is nowadays an important structural issue. Previous experimental tests have shown that the ratio between mortar and brick mechanical properties (i.e., strength, stiffness and elastic modulus influences the global response of the walls in terms of strength and ductility. Accurate analyses are presented in both the case of unreinforced and reinforced with fiberglass mesh when varying the mechanical properties of the materials composing the adobe masonry structure. The main issues and variability in the behavior of seismic resisting walls when varying the mechanical properties are herein highlighted. The aim of the overall research activity is to improve the knowledge about the structural behavior of adobe structural members unreinforced and reinforced with fiberglass mesh inside horizontal mortar joints.

  1. Economische analyse van de Nederlandse biotechnologiesector

    OpenAIRE

    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 verwachting in 2015 zal worden uitgevoerd. Voor deze analyse heeft de COGEM aan TNO gevraagd ontwikkelingen, trends en kansen van de biotechnologie opnieuw in kaart te brengen, met een nadruk op econo...

  2. 49 CFR 1180.7 - Market analyses.

    Science.gov (United States)

    2010-10-01

    ... OF TRANSPORTATION RULES OF PRACTICE RAILROAD ACQUISITION, CONTROL, MERGER, CONSOLIDATION PROJECT, TRACKAGE RIGHTS, AND LEASE PROCEDURES General Acquisition Procedures § 1180.7 Market analyses. (a)...

  3. [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)

  4. Application of nonlinear tyre models to analyse shimmy

    Science.gov (United States)

    Ran, Shenhai; Besselink, I. J. M.; Nijmeijer, H.

    2014-05-01

    This paper focuses on the application of different tyre models to analyse the shimmy phenomenon. Tyre models with the Magic Formula and a non-constant relaxation length are introduced. The energy flow method is applied to compare these tyre models. A trailing wheel suspension is used to analyse shimmy stability and to evaluate the differences between tyre models. Linearisation and nonlinear techniques, including bifurcation analysis, are applied to analyse this system. Extending the suspension model with lateral flexibility and structural damping reveals more information on shimmy stability. Although the nonlinear tyre models do not change the stability of equilibria, they determine the magnitude of the oscillation. It is concluded that the non-constant relaxation length should be included in the shimmy analysis for more accurate results at large amplitude.

  5. Department of Energy's team's analyses of Soviet designed VVERs

    Energy Technology Data Exchange (ETDEWEB)

    1989-09-01

    The purpose of this report is to summarize the results of the US Department of Energy (DOE) Analysis Team's analyses of Soviet designed VVERs (Water-cooled, Water-moderated Energy Reactor). The principle objective of this undertaking is to provide a basis to better understand the safety related features of the Soviet designed VVERs to be better prepared to respond domestically in the event of an accident at such a unit. The USDOE Team's analyses are presented together with supporting and background information. The report is structured to allow the reader to develop an understanding of safety related features of Soviet designed VVERs (as well as the probable behavior of these units under a variety of off normal conditions), to understand the USDOE Team's analyses of Soviet designed VVERs, and to formulate informed opinions.

  6. Motion-dependent excitation mechanisms in a square in-line tube bundle subject to water cross flow: an experimental modal analysis; Mecanismes d`excitation dependant du mouvement de la structure dans un faisceau de tube soumis a un ecoulement: une analyse modale experimentale

    Energy Technology Data Exchange (ETDEWEB)

    Grangers, S.; Campistron, R.; Lebret, J.

    1994-09-01

    This paper deals with the physical mechanisms inducing motion-development dynamic fluid forces in a tube array subject to water cross-flow. Three configurations have been tested. In the first one, a single flexible tube was positioned in the middle of an array of rigid cylinders; in the second one, a single flexible tube was positioned in the first row of an array of rigid cylinders; in the third one, the first three rows of the array were flexible, the other cylinders being rigid. Tube response measurements were analyzed by the inverse methodology developed at EDF/R and D D/HTA and implemented into the IMENE and MEIDEE softwares. This methodology allows for studying the variation of the fluid-structure system eigenvalues with flow velocity. From the information, motion-dependent fluid forces can also be estimated. The results of these analyses are compared to previously published data and to the theoretical results obtained with a slightly extended version of the Lever and Weaver analytical model. The main conclusions which can be drawn are as follows: -for each configuration tested, dynamic instabilities occur which induce sudden large amplitude motions for certain flow velocities; -these instabilities seem to result from the interaction of various physical mechanisms; two of them have been clearly identified: they are (i) a single mode flutter phenomenon and (ii) a complex interaction between tube motion and a symmetric vortex shedding; in the last case, tube oscillations regenerate a flow periodicity which had been damped out by flow turbulence when the tube was motionless, then the shed vortices act in turn on tube motion and precipitate the dynamic instability; -in the configurations tested, the location of the flexible tube within the array has a major influence on the development of low-structure interaction; -the Lever and Weaver model gives interesting qualitative trends but the quantitative results are not good. (authors). 22 refs., 20 figs., 1 appendix.

  7. Unemployment - Structural

    OpenAIRE

    Lindbeck, Assar

    1999-01-01

    Structural unemployment differs from cyclical unemployment by not disappearing in cyclical booms. In economic theory, structural unemployment is usually analysed in terms of the concept of equilibrium unemployment (the "natural unemployment rate" in Friedman’s terminology). Two elaborate concepts of equilibrium unemployment – the non-accelerating inflation rate of unemployment (the NAIRU) and the unemployment rate that induces firms and workers to accept the same real wage (the PS-WS-model) a...

  8. Database-Driven Analyses of Astronomical Spectra

    Science.gov (United States)

    Cami, Jan

    2012-03-01

    steps, good databases of molecular spectroscopic information is vital; the second step furthermore requires a good understanding of how these spectral properties change for each of the physical parameters of interest. Here, we will first present a general strategy using a convenient and powerful computational tool. We will then show two different, specific examples of analyses where some fundamental spectroscopic information is available in (a) database(s), and where that information has been successfully used to analyze observations. Whereas these examples do not directly address the question of automated analyses, they offer some insight into the possibilities and difficulties one can expect to encounter on this quest. In Section 13.2, we first describe the general formalism and method that we will be using, and we offer a few general considerations about what is involved in modeling. In Section 13.3, we illustrate our method for the case of polycyclic aromatic hydrocarbons (PAHs). In Section 13.4,we show how the same approach can be slightly modified to extract physical parameters from infrared observations of red giant stars. We then come back to the question of automated spectral analyses in Section 13.5. precise shape of molecular bands depends primarily on the temperature of the gas, and infrared observations of molecular bands can thus be used to probe gas at temperatures as low as 10 K and up to a few thousand K. Similarly, molecular band shapes contain some information about the gas densities. The resulting ro-vibrational spectrum is truly unique for each molecular species, just as is the case for atoms.As a telling example, Figure 13.2 illustrates how we can even discriminate between different isotopologues - two species with the same chemical formula and structure, but where one (or more) of the atoms is a different

  9. Approximate analyses of inelastic effects in pipework

    International Nuclear Information System (INIS)

    This presentation shows figures concerned with analyses of inelastic effects in pipework as follows: comparison of experimental and calculated simplified analyses results for free end rotation and for circumferential strain; interrupted stress relaxation; regenerated relaxation caused by reversed yield; buckling of straight pipe under combined bending and torsion; results of fatigues test of pipe bend

  10. 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.

  11. Preparation of biological samples for SIMS analyses

    International Nuclear Information System (INIS)

    Full text: For the first time at ANSTO, a program of SIMS analysis of biological samples was undertaken. This presentation will discuss how the wide variety of samples were prepared, and the methods used to gain useful information from SIMS analysis. Lack of matrix-matched standards made quantification difficult, but the strength of SIMS lies in the ability to detect a wide range of stable isotopes with good spatial resolution. This makes the technique suitable for studying organisms that archive signature elements in their structure. Samples such as bivalve shells and crocodile osteoderms were vacuum-impregnated in resin to a size suitable for the SIMS sample holder. Polishing was followed by a sputter coating with gold to alleviate charging of the sample during SIMS analysis. Some samples were introduced directly on the sample holder, either stuck to a glass slide or simply held in place with spring and backing plate. The only treatment in this case was gold coating and degassing in a vacuum pumping station. The porous nature of materials such as leaves and stromatolites requires a period of time under vacuum to remove gases which could interfere with the ultra high vacuum required for SIMS analysis. A calcite standard was used for comparison of oxygen isotopic ratios, but the only matrix-matched standard was available for metal analysis of coral skeletons. Otherwise, the calcium content of the material was assumed to be uniform and acted as an internal standard from which isotopic ratios of other elements could be determined. SIMS analysis of biological samples demonstrated that some matrices could reveal an archive of pollution histories. These samples require matrix-matched standards if the trends observed from analyses are to be quantified

  12. The ASSET intercomparison of ozone analyses: method and first results

    Directory of Open Access Journals (Sweden)

    A. J. Geer

    2006-06-01

    Full Text Available This paper examines 11 sets of ozone analyses from 7 different data assimilation systems. Two are numerical weather prediction (NWP systems based on general circulation models (GCMs; the other five use chemistry transport models (CTMs. These systems contain either linearised or detailed ozone chemistry, or no chemistry at all. In most analyses, MIPAS (Michelson Interferometer for Passive Atmospheric Sounding ozone data are assimilated. Two examples assimilate SCIAMACHY (Scanning Imaging Absorption Spectrometer for Atmospheric Chartography observations. The analyses are compared to independent ozone observations covering the troposphere, stratosphere and lower mesosphere during the period July to November 2003.

    Through most of the stratosphere (50 hPa to 1 hPa, biases are usually within ±10% and standard deviations less than 10% compared to ozonesondes and HALOE (Halogen Occultation Experiment. Biases and standard deviations are larger in the upper-troposphere/lower-stratosphere, in the troposphere, the mesosphere, and the Antarctic ozone hole region. In these regions, some analyses do substantially better than others, and this is mostly due to differences in the models. At the tropical tropopause, many analyses show positive biases and excessive structure in the ozone fields, likely due to known deficiencies in assimilated tropical wind fields and a degradation in MIPAS data at these levels. In the southern hemisphere ozone hole, only the analyses which correctly model heterogeneous ozone depletion are able to reproduce the near-complete ozone destruction over the pole. In the upper-stratosphere and mesosphere (above 5 hPa, some ozone photochemistry schemes caused large but easily remedied biases. The diurnal cycle of ozone in the mesosphere is not captured, except by the one system that includes a detailed treatment of mesospheric chemistry.

    In general, similarly good results are obtained no matter what the assimilation

  13. Möglichkeiten und Perspektiven der narratologischen Analyse japanischer Texte

    OpenAIRE

    Steineck, Raji C; Müller, Simone

    2009-01-01

    Narratology – the structural analysis of narrative texts – has developed since the 1960s into one of the central methodological approaches of literary studies. In Japanese studies it has, however, not yet become a standard research approach. This collection of papers, therefore, is to a certain extent experimental in nature, aiming at providing a first collection of Japanese texts of different genres and periods that have been analysed applying this particular method and hoping to stimulate f...

  14. Security-Informed Safety Case Approach to Analysing MILS Systems

    OpenAIRE

    Netkachova, K.; Müller, K.; Paulitsch, M; Bloomfield, R. E.

    2015-01-01

    Safety cases are the development foundation for safety-critical systems and are often quite complex to understand depending on the size of the system and operational conditions. The recent advent of security aspects complicates the issues further. This paper describes an approach to analysing safety and security in a structured way and creating security-informed safety cases that provide justification of safety taking into particular consideration the impact of security. The paper includes an...

  15. High perfomance liquid chromatography in pharmaceutical analyses.

    Science.gov (United States)

    Nikolin, Branko; Imamović, Belma; Medanhodzić-Vuk, Saira; Sober, Miroslav

    2004-05-01

    compounds often present in concentrations much greater than those of analyte. Analiyte concentrations are often low, and in the case of drugs, the endogenous compounds are sometimes structurally very similar to the drug to be measured. The binding of drugs to the plasma protein also may occur which decreases the amount of free compound that is measured. To undertake the analyses of drugs and metabolites in body fluids the analyst is facet with several problems. The first problem is due to the complex nature of the body fluid, the drugs must be isolated by an extraction technique, which ideally should provide a relatively clean extract, and the separation system must be capable of resolving the drugs of interest from co extractives. All mentioned when we are using high performance liquid chromatography require good selections of detectors, good stationary phase, eluents and adequate program during separation. UV/VIS detector is the most versatile detector used in high performance liquid chromatography it is not always ideal since it is lack of specificity means high resolution of the analyte that may be required. UV detection is preferred since it offers excellent linearity and rapid quantitative analyses can be performed against a single standard of the drug being determined. Diode array and rapid scanning detector are useful for peak identification and monitoring peak purity but they are somewhat less sensitive then single wavelength detectors. In liquid chromatography some components may have a poor UV chromophores if UV detection is being used or be completely retained on the liquid chromatography column. Fluorescence and electrochemical detector are not only considerably more sensitive towed appropriate analytes but also more selective than UV detectors for many compounds. If at all possible fluorescence detectors are sensitive, stable, selective and easy to operate. It is selectivity shows itself in the lack of frontal components observed in plasma extract whereas

  16. The psychological status of phonological analyses

    Directory of Open Access Journals (Sweden)

    David Eddington

    2015-09-01

    Full Text Available This paper casts doubt on the psychological relevance of many phonological analyses. There are four reasons for this: 1 theoretical adequacy does not necessarily imply psychological significance; 2 most approaches are nonempirical in that they are not subject to potential spatiotemporal falsification; 3 phonological analyses are estab­ lished with little or no recourse to the speakers of the language via experimental psy­ chology; 4 the limited base of evidence which most analyses are founded on is further cause for skepticism.

  17. L’Analyse de discours des Sociologues

    OpenAIRE

    Demailly, Lise

    2013-01-01

    Les sociologues utilisent, comme méthode d'analyse, l'analyse de discours. Des recherches, ici exposées, ont été menées sur cette méthode, ses spécificités et ses apports à la formation aux techniques d'expression (T.E.). Il ressort que le sociologue produit d'abord des discours (par l'entretien et l'observation) puis les analyse, les traite. Ces discours sont difficilement utilisables en T.E. tant ils sont saturés d'enjeux théoriques voire idéologiques.

  18. Safety analyses for the planned Konrad repository

    International Nuclear Information System (INIS)

    The safety analyses for the planned federal repository Konrad are described which serve to check and prove observance of the protection goals. The safety analyses lead to the definition of requirements for the plant and the radioactive waste. As a large number of papers dealing with the safety analyses for the repository's operation phase have already been published, the present report concentrates on the investigations into the post-operational phase which were carried out, among others, by the Bundesanstalt fur Geowissenschaften und Rohstoffe (Federal Institute for Geosciences and Natural Resources), Hanover, and the Gesellschaft fur Strahlen- and Umweltforschung (Radiological and Environmental Research Corporation), Braunschweig and Munich, on behalf of the PTB

  19. 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...... neutron beam is parallel to the diffracting plane, then neutrons of different wave-lengths contained in the incident beam are simultaneously diffracted under different reflection angles and recorded by a position-sensitive detector. Special features of this analysing system are briefly discussed....

  20. The ASSET intercomparison of ozone analyses: method and first results

    Directory of Open Access Journals (Sweden)

    A. J. Geer

    2006-01-01

    Full Text Available This paper aims to summarise the current performance of ozone data assimilation (DA systems, to show where they can be improved, and to quantify their errors. It examines 11 sets of ozone analyses from 7 different DA systems. Two are numerical weather prediction (NWP systems based on general circulation models (GCMs; the other five use chemistry transport models (CTMs. The systems examined contain either linearised or detailed ozone chemistry, or no chemistry at all. In most analyses, MIPAS (Michelson Interferometer for Passive Atmospheric Sounding ozone data are assimilated; two assimilate SCIAMACHY (Scanning Imaging Absorption Spectrometer for Atmospheric Chartography observations instead. Analyses are compared to independent ozone observations covering the troposphere, stratosphere and lower mesosphere during the period July to November 2003. Biases and standard deviations are largest, and show the largest divergence between systems, in the troposphere, in the upper-troposphere/lower-stratosphere, in the upper-stratosphere and mesosphere, and the Antarctic ozone hole region. However, in any particular area, apart from the troposphere, at least one system can be found that agrees well with independent data. In general, none of the differences can be linked to the assimilation technique (Kalman filter, three or four dimensional variational methods, direct inversion or the system (CTM or NWP system. Where results diverge, a main explanation is the way ozone is modelled. It is important to correctly model transport at the tropical tropopause, to avoid positive biases and excessive structure in the ozone field. In the southern hemisphere ozone hole, only the analyses which correctly model heterogeneous ozone depletion are able to reproduce the near-complete ozone destruction over the pole. In the upper-stratosphere and mesosphere (above 5 hPa, some ozone photochemistry schemes caused large but easily remedied biases. The diurnal cycle of ozone in

  1. 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... plate count, direct microscopic count, Campylobacter, coliforms, presumptive Escherichia coli, Listeria monocytogenes, proteolytic count, psychrotrophic bacteria, Salmonella, Staphylococcus, thermoduric bacteria,...

  2. Comparison with Russian analyses of meteor impact

    Energy Technology Data Exchange (ETDEWEB)

    Canavan, G.H.

    1997-06-01

    The inversion model for meteor impacts is used to discuss Russian analyses and compare principal results. For common input parameters, the models produce consistent estimates of impactor parameters. Directions for future research are discussed and prioritized.

  3. 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...

  4. 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...

  5. A digital image analyser for RIMS studies

    International Nuclear Information System (INIS)

    Resonance Ionisation Mass Spectrometry (RIMS) is now playing a vital role in various areas of physics and chemistry. A digital image analyser for quantitative analysis of RIMS experiments has been developed

  6. A Coding Scheme for Analysing Problem-Solving Processes of First-Year Engineering Students

    Science.gov (United States)

    Grigg, Sarah J.; Benson, Lisa C.

    2014-01-01

    This study describes the development and structure of a coding scheme for analysing solutions to well-structured problems in terms of cognitive processes and problem-solving deficiencies for first-year engineering students. A task analysis approach was used to assess students' problem solutions using the hierarchical structure from a…

  7. Safety analyses for reprocessing and waste processing

    International Nuclear Information System (INIS)

    Presentation of an incident analysis of process steps of the RP, simplified considerations concerning safety, and safety analyses of the storage and solidification facilities of the RP. A release tree method is developed and tested. An incident analysis of process steps, the evaluation of the SRL-study and safety analyses of the storage and solidification facilities of the RP are performed in particular. (DG)

  8. Functional Analyses and Treatment of Precursor Behavior

    OpenAIRE

    Najdowski, Adel C; Wallace, Michele D; Ellsworth, Carrie L; MacAleese, Alicia N; Cleveland, Jackie M

    2008-01-01

    Functional analysis has been demonstrated to be an effective method to identify environmental variables that maintain problem behavior. However, there are cases when conducting functional analyses of severe problem behavior may be contraindicated. The current study applied functional analysis procedures to a class of behavior that preceded severe problem behavior (precursor behavior) and evaluated treatments based on the outcomes of the functional analyses of precursor behavior. Responding fo...

  9. 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

  10. A conceptual framework to analyse supply chain designs

    Directory of Open Access Journals (Sweden)

    J. A. Badenhorst-Weiss

    2011-12-01

    the field of supply chain management and more specifically in the field of supply chain design. As mentioned, very little attention is given to the specifics of SCD. This article provides a more structured approach to analysing supply chain designs. Conclusion: SCD forms an important part of SCM and may play a role in improving performance. The conceptual framework proposed in this article will assist organisations with the analysis of their supply chain designs, which in turn may highlight potential areas in their supply chains where there may be room for improving their SCD practices.

  11. Prismatic analyser concept for neutron spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Birk, Jonas O.; Jacobsen, Johan; Hansen, Rasmus L.; Lefmann, Kim [Nano Science Center, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark); Markó, Márton; Niedermayer, Christof [Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Freeman, Paul G. [Laboratory for Quantum Magnetism, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Christensen, Niels B. [Institute of Physics, Technical University of Denmark, DK-2800-Kgs. Lyngby (Denmark); Månsson, Martin [Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Laboratory for Quantum Magnetism, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Rønnow, Henrik M. [Nano Science Center, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark); Laboratory for Quantum Magnetism, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

    2014-11-15

    Developments in modern neutron spectroscopy have led to typical sample sizes decreasing from few cm to several mm in diameter samples. We demonstrate how small samples together with the right choice of analyser and detector components makes distance collimation an important concept in crystal analyser spectrometers. We further show that this opens new possibilities where neutrons with different energies are reflected by the same analyser but counted in different detectors, thus improving both energy resolution and total count rate compared to conventional spectrometers. The technique can readily be combined with advanced focussing geometries and with multiplexing instrument designs. We present a combination of simulations and data showing three different energies simultaneously reflected from one analyser. Experiments were performed on a cold triple axis instrument and on a prototype inverse geometry Time-of-flight spectrometer installed at PSI, Switzerland, and shows excellent agreement with the predictions. Typical improvements will be 2.0 times finer resolution and a factor of 1.9 in flux gain compared to a focussing Rowland geometry, or of 3.3 times finer resolution and a factor of 2.4 in flux gain compared to a single flat analyser slab.

  12. Summary of dynamic analyses of the advanced neutron source reactor inner control rods

    International Nuclear Information System (INIS)

    A summary of the structural dynamic analyses that were instrumental in providing design guidance to the Advanced Neutron source (ANS) inner control element system is presented in this report. The structural analyses and the functional constraints that required certain performance parameters were combined to shape and guide the design effort toward a prediction of successful and reliable control and scram operation to be provided by these inner control rods

  13. Evaluating Power and Type 1 Error in Large Pedigree Analyses of Binary Traits

    OpenAIRE

    Cummings, Anna C.; Torstenson, Eric; Davis, Mary F; D’Aoust, Laura N.; Scott, William K.; Pericak-Vance, Margaret A; Bush, William S.; Haines, Jonathan L.

    2013-01-01

    Studying population isolates with large, complex pedigrees has many advantages for discovering genetic susceptibility loci; however, statistical analyses can be computationally challenging. Allelic association tests need to be corrected for relatedness among study participants, and linkage analyses require subdividing and simplifying the pedigree structures. We have extended GenomeSIMLA to simulate SNP data in complex pedigree structures based on an Amish pedigree to generate the same structu...

  14. Thermalhydraulic transient analyses of the SGECS initial injection period

    International Nuclear Information System (INIS)

    Following a secondary-side accident at the Darlington nuclear generating station, the SGECS (Steam Generator Emergency Cooling System) will inject cool water into steam-filled piping, resulting in a condensation-induced water hammer transient within the piping network. The TUF (Two Unequal Fluids) computer code, suitable for modelling thermalhydraulic transients with interaction between the liquid and steam phases, was employed to quantify the water hammer pressure transient within the piping network, enabling piping stress analyses to be performed to verify the structural integrity of the system during the initial injection period. Results of the thermalhydraulic analyses indicate that the piping network undergoes a significant water hammer transient. 1 ref., 8 figs., 1 tab

  15. A theoretical framework for analysing preschool teaching

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2014-01-01

    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......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...

  16. Finite element analyses for seismic shear wall international standard problem

    International Nuclear Information System (INIS)

    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

  17. 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.

  18. Effects of Anchor Bolts Failures in Steam Explosion Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seung Hyun; Chang, Yoon-Suk [Kyung Hee University, Yongin (Korea, Republic of); Song, Sungchu; Cho, Yong-Jin [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2015-05-15

    Steam explosion may occur in a nuclear power plant by molten core-coolant interactions when the external reactor vessel cooling strategy is failed. This phenomenon can threat the integrity of reactor cavity, penetration piping and support structures. Even though extensive researches have been performed to predict influences of the steam explosion, due to complexity of physical phenomena and environmental thermal hydraulic conditions, it is remained as one of possible hazards. A steam explosion can cause intensive and rapid heat transfer, and lead to the formation of pressure waves and production of missiles that may endanger surrounding reactor cavity wall and associate components due to resulting dynamic effects. The goal of this research is to examine structural integrity of RPV (Reactor Pressure Vessel) support structures and anchor bolts under typical ex-vessel steam explosion conditions through FE analyses. Particularly, influence due to the failure of anchor bolts connecting RPV and support structures was evaluated. In this paper, influence of RPV and support structure due to the anchor bolt failure were evaluated under typical steam explosion conditions and the following conclusions were derived. The highest maximum stresses were calculated at the support structures under the steam explosion condition with the SVF and anchor bolts non-failure. The all stress values did not exceed their yield strengths. The displacements were high under anchor bolt failure conditions. However, the vertical movements of major components were small comparing to the overall dimensions of them.

  19. 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.……

  20. TOGGLE : toolbox for generic NGS analyses

    OpenAIRE

    Monat, Cécile; Tranchant-Dubreuil, Christine; Kougbeadjo, Ayité; Farcy, Cédric; Ortega-Abboud, Enrique; Amanzougarene, Souhila; Ravel, Sébastien; Agbessi, Mawussé; Orjuela-Bouniol, Julie; Summo, Maryline; Sabot, François

    2015-01-01

    Background The explosion of NGS (Next Generation Sequencing) sequence data requires a huge effort in Bioinformatics methods and analyses. The creation of dedicated, robust and reliable pipelines able to handle dozens of samples from raw FASTQ data to relevant biological data is a time-consuming task in all projects relying on NGS. To address this, we created a generic and modular toolbox for developing such pipelines. Results TOGGLE (TOolbox for Generic nGs anaLysEs) is a suite of tools able ...