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Sample records for anomalous structural features

  1. Microscopic planar deformation features in quartz of the Vredefort structure: anomalous but still suggestive of an impact origin.

    Science.gov (United States)

    Grieve, R. A. F.; Coderre, J. M.; Robertson, P. B.; Alexopoulos, J.

    1990-01-01

    The orientation and distribution of diagnostic shock-produced planar features in quartz has been examined in over 80 samples from both the core and collar rocks of the Vredefort structure in South Africa. It is concluded that, although anomalous, the evidence from planar features in quartz is still consistent with the Vredefort structure being an erosional remnant of a large, complex, impact structure.

  2. Diffraction anomalous fine structure using X-ray anomalous dispersion

    International Nuclear Information System (INIS)

    Soejima, Yuji; Kuwajima, Shuichiro

    1998-01-01

    A use of X-ray anomalous dispersion effects for structure investigation has recently been developed by using synchrotron radiation. One of the interesting method is the observation of anomalous fine structure which arise on diffraction intensity in energy region of incident X-ray at and higher than absorption edge. The phenomenon is so called Diffraction Anomalous Fine Structure (DAFS). DAFS originates in the same physical process an that of EXAFS: namely photoelectric effect at the corresponding atom and the interaction of photoelectron waves between the atom and neighboring atoms. In contrast with EXAFS, the method is available for only the crystalline materials, but shows effective advantages of the structure investigations by a use of diffraction: one is the site selectivity and the other is space selectivity. In the present study, demonstrations of a use of X-ray anomalous dispersion effect for the superstructure determination will be given for the case of PbZrO 3 , then recent trial investigations of DAFS in particular on the superlattice reflections will be introduced. In addition, we discuss about Forbidden Reflection near Edge Diffraction (FRED) which is more recently investigated as a new method of the structure analysis. (author)

  3. A structural framework for anomalous change detection and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Prasad, Lakshman [Los Alamos National Laboratory; Theiler, James P [Los Alamos National Laboratory

    2009-01-01

    We present a spatially adaptive scheme for automatically searching a pair of images of a scene for unusual and interesting changes. Our motivation is to bring into play structural aspects of image features alongside the spectral attributes used for anomalous change detection (ACD). We leverage a small but informative subset of pixels, namely edge pixels of the images, as anchor points of a Delaunay triangulation to jointly decompose the images into a set of triangular regions, called trixels, which are spectrally uniform. Such decomposition helps in image regularization by simple-function approximation on a feature-adaptive grid. Applying ACD to this trixel grid instead of pixels offers several advantages. It allows: (1) edge-preserving smoothing of images, (2) speed-up of spatial computations by significantly reducing the representation of the images, and (3) the easy recovery of structure of the detected anomalous changes by associating anomalous trixels with polygonal image features. The latter facility further enables the application of shape-theoretic criteria and algorithms to characterize the changes and recognize them as interesting or not. This incorporation of spatial information has the potential to filter out some spurious changes, such as due to parallax, shadows, and misregistration, by identifying and filtering out those that are structurally similar and spatially pervasive. Our framework supports the joint spatial and spectral analysis of images, potentially enabling the design of more robust ACD algorithms.

  4. Revisit to diffraction anomalous fine structure

    International Nuclear Information System (INIS)

    Kawaguchi, T.; Fukuda, K.; Tokuda, K.; Shimada, K.; Ichitsubo, T.; Oishi, M.; Mizuki, J.; Matsubara, E.

    2014-01-01

    The diffraction anomalous fine structure method has been revisited by applying this measurement technique to polycrystalline samples and using an analytical method with the logarithmic dispersion relation. The diffraction anomalous fine structure (DAFS) method that is a spectroscopic analysis combined with resonant X-ray diffraction enables the determination of the valence state and local structure of a selected element at a specific crystalline site and/or phase. This method has been improved by using a polycrystalline sample, channel-cut monochromator optics with an undulator synchrotron radiation source, an area detector and direct determination of resonant terms with a logarithmic dispersion relation. This study makes the DAFS method more convenient and saves a large amount of measurement time in comparison with the conventional DAFS method with a single crystal. The improved DAFS method has been applied to some model samples, Ni foil and Fe 3 O 4 powder, to demonstrate the validity of the measurement and the analysis of the present DAFS method

  5. Edge separation using diffraction anomalous fine structure

    International Nuclear Information System (INIS)

    Ravel, B.; Bouldin, C.E.; Renevier, H.; Hodeau, J.L.; Berar, J.F.

    1999-01-01

    We exploit the crystallographic sensitivity of the Diffraction Anomalous Fine-Structure (DAFS) measurement to separate the fine structure contributions of different atomic species with closely spaced resonant energies. In BaTiO 3 the Ti K edge and Ba Lm edges are separated by 281 eV, or about 8.2 Angstrom -1 ), thus severely limiting the information content of the Ti K edge signal. Using the site selectivity of DAFS we can separate the two fine structure spectra using an iterative Kramers-Kronig method, thus extending the range of the Ti K edge spectrum. This technique has application to many rare earth/transition metal compounds, including many magnetic materials of technological significance for which K and L edges overlap in energy. (au)

  6. Density of states features in some anomalous melting elements

    International Nuclear Information System (INIS)

    Schulze, R K; Wallace, D C; Lashley, J C

    2013-01-01

    Valence band photoemission measurements have been made on crystalline and supercooled liquid gallium, and across the liquid and solid phases of bismuth and indium. Measurements are angle integrated and made using photon excitations of 21.21 and 40.81 eV. In all cases the Bloch states are destroyed upon melting and the free electron gas is constrained by a charge-neutral liquid. The spectra of indium show little change upon solidification, indicating a common electronic structure for crystalline and liquid phases. In contrast, the energy distribution curves for supercooled gallium and bismuth show large changes in the electronic structure from solid to liquid phases, giving rise to the formation of pseudogaps in the density of states at the Fermi energy, E F . Observations of this kind enable us to distinguish normal or anomalous melting from photoemission measurements. (paper)

  7. Contemporary Use of Anomalous Diffraction in Biomolecular Structure Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Liu Q.; Hendrickson, W.

    2017-01-01

    The normal elastic X-ray scattering that depends only on electron density can be modulated by an ?anomalous? component due to resonance between X-rays and electronic orbitals. Anomalous scattering thereby precisely identifies atomic species, since orbitals distinguish atomic elements, which enables the multi- and single-wavelength anomalous diffraction (MAD and SAD) methods. SAD now predominates in de novo structure determination of biological macromolecules, and we focus here on the prevailing SAD method. We describe the anomalous phasing theory and the periodic table of phasing elements that are available for SAD experiments, differentiating between those readily accessible for at-resonance experiments and those that can be effective away from an edge. We describe procedures for present-day SAD phasing experiments and we discuss optimization of anomalous signals for challenging applications. We also describe methods for using anomalous signals as molecular markers for tracing and element identification. Emerging developments and perspectives are discussed in brief.

  8. Methodological approaches in estimating anomalous geochemical field structure

    International Nuclear Information System (INIS)

    Gavrilov, R; Rudmin, M

    2015-01-01

    Mathematical statistic methods were applied to analyze the core samples from vertical expendable wells in Chertovo Koryto gold ore field. The following methods were used to analyse gold in samples: assay tests and atomic absorption method (AAS), while emission spectrum semiquantative method was applied to identify traces. The analysis of geochemical association distribution in one central profile demonstrated that bulk metasomatic aureoles are characteristic of concentric zonal structure. The distribution of geochemical associations is correlated to the hydrothermal stages of mineral formation identified in this deposit. It was proved that the processed geochemical data by factor and cluster analyses provided additional information on the anomalous geochemical field structure in gold- bearing black-shale strata. Such methods are effective tools in interpretating specific features of geochemical field structures in analogous potential ore-bearing areas

  9. Structural controls on anomalous transport in fractured porous rock

    Science.gov (United States)

    Edery, Yaniv; Geiger, Sebastian; Berkowitz, Brian

    2016-07-01

    Anomalous transport is ubiquitous in a wide range of disordered systems, notably in fractured porous formations. We quantitatively identify the structural controls on anomalous tracer transport in a model of a real fractured geological formation that was mapped in an outcrop. The transport, determined by a continuum scale mathematical model, is characterized by breakthrough curves (BTCs) that document anomalous (or "non-Fickian") transport, which is accounted for by a power law distribution of local transition times ψ>(t>) within the framework of a continuous time random walk (CTRW). We show that the determination of ψ>(t>) is related to fractures aligned approximately with the macroscopic direction of flow. We establish the dominant role of fracture alignment and assess the statistics of these fractures by determining a concentration-visitation weighted residence time histogram. We then convert the histogram to a probability density function (pdf) that coincides with the CTRW ψ>(t>) and hence anomalous transport. We show that the permeability of the geological formation hosting the fracture network has a limited effect on the anomalous nature of the transport; rather, it is the fractures transverse to the flow direction that play the major role in forming the long BTC tail associated with anomalous transport. This is a remarkable result, given the complexity of the flow field statistics as captured by concentration transitions.

  10. The structural origin of anomalous properties of liquid water

    Science.gov (United States)

    Nilsson, Anders; Pettersson, Lars G. M.

    2015-12-01

    Water is unique in its number of unusual, often called anomalous, properties. When hot it is a normal simple liquid; however, close to ambient temperatures properties, such as the compressibility, begin to deviate and do so increasingly on further cooling. Clearly, these emerging properties are connected to its ability to form up to four well-defined hydrogen bonds allowing for different local structural arrangements. A wealth of new data from various experiments and simulations has recently become available. When taken together they point to a heterogeneous picture with fluctuations between two classes of local structural environments developing on temperature-dependent length scales.

  11. Macromolecular X-ray structure determination using weak, single-wavelength anomalous data

    Energy Technology Data Exchange (ETDEWEB)

    Bunkóczi, Gábor; McCoy, Airlie J.; Echols, Nathaniel; Grosse-Kunstleve, Ralf W.; Adams, Paul D.; Holton, James M.; Read, Randy J.; Terwilliger, Thomas C.

    2014-12-22

    We describe a likelihood-based method for determining the substructure of anomalously scattering atoms in macromolecular crystals that allows successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak anomalous signal. With the use of partial models and electron density maps in searches for anomalously scattering atoms, testing of alternative values of parameters and parallelized automated model-building, this method has the potential to extend the applicability of the SAD method in challenging cases.

  12. Multiwavelength anomalous diffraction and diffraction anomalous fine structure to study composition and strain of semiconductor nano structures

    International Nuclear Information System (INIS)

    Favre-Nicolin, V.; Proietti, M.G.; Leclere, C.; Renevier, H.; Katcho, N.A.; Richard, M.I.

    2012-01-01

    The aim of this paper is to illustrate the use of Multi-Wavelength Anomalous Diffraction (MAD) and Diffraction Anomalous Fine Structure (DAFS) spectroscopy for the study of structural properties of semiconductor nano-structures. We give a brief introduction on the basic principles of these techniques providing a detailed bibliography. Then we focus on the data reduction and analysis and we give specific examples of their application on three different kinds of semiconductor nano-structures: Ge/Si nano-islands, AlN capped GaN/AlN Quantum Dots and AlGaN/AlN Nano-wires. We show that the combination of MAD and DAFS is a very powerful tool to solve the structural problem of these materials of high technological impact. In particular, the effects of composition and strain on diffraction are disentangled and composition can be determined in a reliable way, even at the interface between nano-structure and substrate. We show the great possibilities of this method and give the reader the basic tools to undertake its use. (authors)

  13. Bilaterally painful anomalous insertion of the medial meniscus in a volleyball player with Marfanoid features.

    Science.gov (United States)

    Santi, M D; Richardson, A B

    1993-01-01

    A female volleyball player with a Marfanoid habitus had bilateral symptomatic anomalous insertions of the medial meniscus. Arthroscopic resection of the anomalous portions of the medial menisci as they attached to the anterior cruciate ligament successfully eliminated her symptoms.

  14. Features and Recursive Structure

    Directory of Open Access Journals (Sweden)

    Kuniya Nasukawa

    2015-01-01

    Full Text Available Based on the cross-linguistic tendency that weak vowels are realized with a central quality such as ə, ɨ, or ɯ, this paper attempts to account for this choice by proposing that the nucleus itself is one of the three monovalent vowel elements |A|, |I| and |U| which function as the building blocks of melodic structure. I claim that individual languages make a parametric choice to determine which of the three elements functions as the head of a nuclear expression. In addition, I show that elements can be freely concatenated to create melodic compounds. The resulting phonetic value of an element compound is determined by the specific elements it contains and by the head-dependency relations between those elements. This concatenation-based recursive mechanism of melodic structure can also be extended to levels above the segment, thus ultimately eliminating the need for syllabic constituents. This approach reinterprets the notion of minimalism in phonology by opposing the string-based flat structure.

  15. Anomalous Features on Anomalous Rocks — Deciphering the Physical Weathering History of Iron Meteorites found on Mars using Terrestrial Analogues

    Science.gov (United States)

    Ashley, J.

    2015-12-01

    Non-indigenous rocks (meteorites) found on Mars by rover science teams offer insights into probable recent (mid- to late-Amazonian) weathering processes within 15° of the martian equator. While source materials are often in question for indigenous martian alteration scenarios, the starting materials for most meteorites are known as unweathered, curated falls in Earth-based collections. Both chemical and mechanical weathering processes have modified at least 21 confirmed and candidate exogenic rocks found at three rover landing sites. Such processes have been shown to include acidic corrosion, oxide production, and aeolian scouring. The unknown martian surface exposure duration of the meteorites makes separating physical from chemical weathering effects challenging: Saltating sand grains may accomplish alone what oxidation and rust removal by aeolian scouring may accomplish in a shorter time interval, for example. However, aeolian abrasion appears to dominate for at least some of the surface features in martian irons. Iron meteorites are resistant to wind-blown sand relative to silicate rocks, but are malleable and able to preserve aeolian abrasion effects. These include 1) regmaglypts enlarged into hollows with overhanging cornices; 2) surfaces scalloped or deeply fluted by straight-line groves, and/or 3) deep 'boreholes' present across many surfaces. The flutings, boreholes, and scallops have oriented symmetry and are therefore potentially useful as paleo-wind direction indicators. Boreholes tend to be clean-edged, elliptical to round, of varying diameter, and often occur independently of local topography. Ventifacted igneous rocks found at Garnet Hill, San Gorgonio Pass, California, present features that resemble many aspects of those found in the metal masses on Mars. Though of different petrologies and mineralogies, both rock types are massive, homogeneous and unfractured, which may conceivably account for some apparent similarities in mechanical weathering

  16. On the Anomalous Structures of the Vector Leptonic Currents

    Science.gov (United States)

    Sharafiddinov, Rasulkhozha S.

    2015-04-01

    According to a mass-charge duality, any type of charge says about the existence in nature of a kind of inertial mass. Therefore, the steadiness of the electric charge distribution in leptons (l = e , μ , τ , . . .) can be explained by the intralepton interratio of forces of different nature. From its point of view, we not only must present the Dirac Fil (q2) =fil (0) +Ril (q2) +Ail (q2 -->) + . . . , (1) but we also need to conclude that each type of charge comes forward as the source of a kind of dipole moment. Herewith the independent components fil coincide with normal sizes of the electric charge and magnetic moment. The functions Ril describe the interaction between the lepton electromagnetic radius and the field of emission. The terms Ail characterize the dependence of form factors Fil on the square of three-dimensional momentum transfer q2 --> and at q2 --> = 0 are reduced to their anomalous values. They show that the electron similarly to all other the leptons possesses as well as the anomalous electric charge. To such a type of charge corresponds a kind of inertial mass.

  17. Origins of Anomalous Transport in Heterogeneous Media: Structural and Dynamic Controls

    Science.gov (United States)

    Edery, Yaniv; Guadagnini, Alberto; Scher, Harvey; Berkowitz, Brian

    2014-05-01

    Anomalous (or 'non-Fickian') transport is ubiquitous in the context of tracer migration in geological formations. We quantitatively identify the origin of anomalous transport in a representative model of a heterogeneous porous medium under uniform (in the mean) flow conditions; we focus on anomalous transport which arises in the complex flow patterns of lognormally distributed hydraulic conductivity (K) fields, with several decades of K values. Transport in the domains is determined by a particle tracking technique and characterized by breakthrough curves (BTCs). The BTC averaged over multiple realizations demonstrates anomalous transport in all cases, which is accounted for entirely by a power-law distribution ~ t-1-β of local transition times, contained in the probability density function ψ(t) of transition times, using the framework of a continuous time random walk (CTRW). A unique feature of our analysis is the derivation of ψ(t) as a function of parameters quantifying the heterogeneity of the domain. In this context, we first establish the dominance of preferential pathways across each domain, and characterize the statistics of these pathways by forming a particle-visitation weighted histogram Hw(K). By converting the ln(K) dependence of Hw(K) into time, we demonstrate the equivalence of Hw(K) and ψ(t), and delineate the region of Hw(K) that forms the power law of ψ(t). This thus defines the origin of anomalous transport. Analysis of the preferential pathways clearly demonstrates the limitations of critical path analysis and percolation theory as a basis for determining the origin of anomalous transport. Furthermore, we derive an expression defining the power law exponent β in terms of the Hw(K) parameters. The equivalence between Hw(K) and ψ(t) is a remarkable result, particularly given the nature of the K heterogeneity, the complexity of the flow field within each realization, and the statistics of the particle transitions.

  18. Geological indicators for impact: The anomalous case of the Vredefort structure, South Africa

    Science.gov (United States)

    Antoine, L. A. G.; Reimold, W. U.

    The Vredefort Dome is located within and almost central to the Witwatersrand basin in its presently known extent. It exposes a central Archean granite core which is surrounded by a collar of supracrustal rocks. These collar rocks outline a strong polygonal geometry. The Archean core is comprised of two concentric zones, the Outer Granite Gneiss (OGG), and the core central Inlandsee Leucogranofels (ILG). The rocks of the inner core display granulite facies metamorphism, while the OGG is in amphibolite facies. The inner core is believed from recent drill hole information to be underlain by mafic and ultramafic gneisses, the extent of which cannot be assessed at present. A fairly broad zone of charnockites separates the OGG and ILG domains. This zone is characterized by a high concentration of pseudotachylite and ductile shearing. Whereas a number of other domical structures are located within or surrounding the Witwatersrand basin, the Vredefort structure is anomalous, in that it has: a partly polygonal geometry; extensive alkali intrusives in the northwestern sector; granophyre dykes (ring-dykes peripheral to the contact collar-basement and NW-SE or NE-SW trending dykes within the Archean basement); contact metamorphism of the collar supracrustal rocks; the overturning of collar supracrustals in the northern sectors; deformation phenomena widely regarded as representing shock metamorphism (pseudotachylite, (sub)planar microdeformation features in quartz, shatter cones and occurrences of high-P quartz polymorphs); a positive 30 mgal gravity anomaly; and high amplitude magnetic anomalies. Recent geophysical, structural and petrological evidence pertinent for the identification of the processes that led to the formation of the Vredefort structure are summarized.

  19. Intrahepatic arterioportal shunting and anomalous venous drainage: understanding the CT features in the liver

    International Nuclear Information System (INIS)

    Breen, David J.; Rutherford, Elizabeth E.; Stedman, Brian; Lee-Elliott, Catherine; Hacking, C. Nigel

    2004-01-01

    The increased use of high-contrast volume, arterial-phase studies of the liver has demonstrated the frequent occurrence of arterioportal shunts within both the cirrhotic and non-cirrhotic liver. This article sets out to explain the underlying microcirculatory mechanisms behind these commonly encountered altered perfusion states. Similarly, well-recognised portal perfusion defects occur around the perifalciform and perihilar liver and are largely caused by anomalous venous drainage via the paraumbilical and parabiliary venous systems. The underlying anatomy will be discussed and illustrated. These vascular anomalies are all caused by or result in diminished portal perfusion and are often manifest in the setting of portal venous thrombosis. The evolving concept of zonal re-perfusion following portal vein thrombosis will be discussed. (orig.)

  20. Bifurcation structure of localized states in the Lugiato-Lefever equation with anomalous dispersion

    Science.gov (United States)

    Parra-Rivas, P.; Gomila, D.; Gelens, L.; Knobloch, E.

    2018-04-01

    The origin, stability, and bifurcation structure of different types of bright localized structures described by the Lugiato-Lefever equation are studied. This mean field model describes the nonlinear dynamics of light circulating in fiber cavities and microresonators. In the case of anomalous group velocity dispersion and low values of the intracavity phase detuning these bright states are organized in a homoclinic snaking bifurcation structure. We describe how this bifurcation structure is destroyed when the detuning is increased across a critical value, and determine how a bifurcation structure known as foliated snaking emerges.

  1. On the structure of anomalous composite Higgs models

    Energy Technology Data Exchange (ETDEWEB)

    Gripaios, Ben [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); Nardecchia, Marco [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); DAMTP, University of Cambridge, Cambridge (United Kingdom); CERN, Theoretical Physics Department, Geneva (Switzerland); You, Tevong [University of Cambridge, Cavendish Laboratory, Cambridge (United Kingdom); DAMTP, University of Cambridge, Cambridge (United Kingdom)

    2017-01-15

    We describe the anomaly structure of a composite Higgs model in which the SO(5)/SO(4) coset structure of the minimal model is extended by an additional, non-linearly realised U(1){sub η}. In addition, we show that the effective Lagrangian admits a term that, like the Wess-Zumino-Witten term in the chiral Lagrangian for QCD, is not invariant under the non-linearly realised symmetries, but rather changes by a total derivative. This term is unlike the Wess-Zumino-Witten term in that it does not arise from anomalies. If present, it may give rise to the rare decay η → hW{sup +}W{sup -}Z. The phenomenology of the singlet in this model differs from that in a model based on SO(6)/SO(5), in that couplings to both gluons and photons, arising via anomalies, are present. We show that while some tuning is needed to accommodate flavour and electroweak precision constraints, the model is no worse than the minimal model in this regard. (orig.)

  2. Anomalous electronic structure and magnetoresistance in TaAs2.

    Science.gov (United States)

    Luo, Yongkang; McDonald, R D; Rosa, P F S; Scott, B; Wakeham, N; Ghimire, N J; Bauer, E D; Thompson, J D; Ronning, F

    2016-06-07

    The change in resistance of a material in a magnetic field reflects its electronic state. In metals with weakly- or non-interacting electrons, the resistance typically increases upon the application of a magnetic field. In contrast, negative magnetoresistance may appear under some circumstances, e.g., in metals with anisotropic Fermi surfaces or with spin-disorder scattering and semimetals with Dirac or Weyl electronic structures. Here we show that the non-magnetic semimetal TaAs2 possesses a very large negative magnetoresistance, with an unknown scattering mechanism. Density functional calculations find that TaAs2 is a new topological semimetal [ℤ2 invariant (0;111)] without Dirac dispersion, demonstrating that a negative magnetoresistance in non-magnetic semimetals cannot be attributed uniquely to the Adler-Bell-Jackiw chiral anomaly of bulk Dirac/Weyl fermions.

  3. Structural features of lignohumic acids

    Czech Academy of Sciences Publication Activity Database

    Novák, František; Šestauberová, Martina; Hrabal, R.

    2015-01-01

    Roč. 1093, August (2015), s. 179-185 ISSN 0022-2860 Institutional support: RVO:60077344 Keywords : C-13 NMR * FTIR * humic acids * lignohumate * lignosulfonate * structure Subject RIV: DF - Soil Science Impact factor: 1.780, year: 2015

  4. Anomalous strength of the 2200 Angstroem feature in Cassiopeia-Taurus association

    International Nuclear Information System (INIS)

    Morales, C.; Ruiz del Arbol, J.A.; Llorente de Andres, F.

    1980-01-01

    From a large sample of reddened stars we computed the individual extinction curves which agree with that calculated by Nandy et al. (1976), except for four stars which show that the extinction at the 2200 Angstroem feature is greater than that deduced for the rest of stars. These four stars belong to the Cassiopeia-Taurus association. (orig.)

  5. Anomalous scaling of structure functions and dynamic constraints on turbulence simulations

    International Nuclear Information System (INIS)

    Yakhot, Victor; Sreenivasan, Katepalli R.

    2006-12-01

    The connection between anomalous scaling of structure functions (intermittency) and numerical methods for turbulence simulations is discussed. It is argued that the computational work for direct numerical simulations (DNS) of fully developed turbulence increases as Re 4 , and not as Re 3 expected from Kolmogorov's theory, where Re is a large-scale Reynolds number. Various relations for the moments of acceleration and velocity derivatives are derived. An infinite set of exact constraints on dynamically consistent subgrid models for Large Eddy Simulations (LES) is derived from the Navier-Stokes equations, and some problems of principle associated with existing LES models are highlighted. (author)

  6. The showerfront time-structure of ''anomalous muon'' events associated with Hercules X-1

    International Nuclear Information System (INIS)

    Alexandreas, D.E.; Allen, R.C.; Biller, S.D.; Dion, G.M.; Lu, X-Q.; Vishwanath, P.R.; Yodh, G.B.; Berley, D.; Chang, C.Y.; Dingus, B.L.; Dion, C.; Goodman, J.A.; Gupta, S.K.; Haines, T.J.; Kwok, P.W.; Stark, M.J.; Burman, R.L.; Hoffman, C.M.; Lloyd-Evans, J.; Nagle, D.E.; Potter, M.E.; Sandberg, V.D.; Zhang, W.P.; Cady, D.R.; Ellsworth, R.W.; Krakauer, D.A.; Talaga, R.L.

    1990-01-01

    The 11 ''in-phase'' source events from the 1986 muon-rich bursts associated with Hercules X-1 (previously reported by this group) have been studied for indications of further anomalous behavior. The most significant effect observed resulted from an analysis of the showerfront time-structures of these events. This analysis was then applied a priori to the rest of the source day, where an additional ∼9 signal events are expected to remain. The same effect was observed at a chance probability level of ∼0.1%. 1 ref., 7 figs

  7. Anomalous wave structure in magnetized materials described by non-convex equations of state

    Energy Technology Data Exchange (ETDEWEB)

    Serna, Susana, E-mail: serna@mat.uab.es [Departament de Matematiques, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Marquina, Antonio, E-mail: marquina@uv.es [Departamento de Matematicas, Universidad de Valencia, 46100 Burjassot, Valencia (Spain)

    2014-01-15

    We analyze the anomalous wave structure appearing in flow dynamics under the influence of magnetic field in materials described by non-ideal equations of state. We consider the system of magnetohydrodynamics equations closed by a general equation of state (EOS) and propose a complete spectral decomposition of the fluxes that allows us to derive an expression of the nonlinearity factor as the mathematical tool to determine the nature of the wave phenomena. We prove that the possible formation of non-classical wave structure is determined by both the thermodynamic properties of the material and the magnetic field as well as its possible rotation. We demonstrate that phase transitions induced by material properties do not necessarily imply the loss of genuine nonlinearity of the wavefields as is the case in classical hydrodynamics. The analytical expression of the nonlinearity factor allows us to determine the specific amount of magnetic field necessary to prevent formation of complex structure induced by phase transition in the material. We illustrate our analytical approach by considering two non-convex EOS that exhibit phase transitions and anomalous behavior in the evolution. We present numerical experiments validating the analysis performed through a set of one-dimensional Riemann problems. In the examples we show how to determine the appropriate amount of magnetic field in the initial conditions of the Riemann problem to transform a thermodynamic composite wave into a simple nonlinear wave.

  8. Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer.

    Directory of Open Access Journals (Sweden)

    Xiang Liu

    Full Text Available The crystal structures of two proteins, a putative pyrazinamidase/nicotinamidase from the dental pathogen Streptococcus mutans (SmPncA and the human caspase-6 (Casp6, were solved by de novo arsenic single-wavelength anomalous diffraction (As-SAD phasing method. Arsenic (As, an uncommonly used element in SAD phasing, was covalently introduced into proteins by cacodylic acid, the buffering agent in the crystallization reservoirs. In SmPncA, the only cysteine was bound to dimethylarsinoyl, which is a pentavalent arsenic group (As (V. This arsenic atom and a protein-bound zinc atom both generated anomalous signals. The predominant contribution, however, was from the As anomalous signals, which were sufficient to phase the SmPncA structure alone. In Casp6, four cysteines were found to bind cacodyl, a trivalent arsenic group (As (III, in the presence of the reducing agent, dithiothreitol (DTT, and arsenic atoms were the only anomalous scatterers for SAD phasing. Analyses and discussion of these two As-SAD phasing examples and comparison of As with other traditional heavy atoms that generate anomalous signals, together with a few arsenic-based de novo phasing cases reported previously strongly suggest that As is an ideal anomalous scatterer for SAD phasing in protein crystallography.

  9. Structural disorder and anomalous water diffusion in random packing of spheres

    Science.gov (United States)

    Gabrielli, Andrea; Capuani, Silvia; Palombo, Marco; Servedio, Vito D. P.; Ruocco, Giancarlo

    2014-03-01

    Nowadays Nuclear Magnetic Resonance diffusion (dNMR) measurements of water molecules in heterogeneous systems have broad applications in material science, biophysics and medicine. Up to now, microstructural rearrangement in media has been experimentally investigated by studying the diffusion coefficient (D(t)) behavior in the tortuosity limit. However, this method is not able to describe structural disorder and transitions in complex systems. In this talk we show that, according to the continuous time random walk framework, the dNMR measurable parameter α, quantifying the anomalous regime of D(t) , provides a quantitative characterization of structural disorder and structural transition in heterogeneous systems. This is demonstrated by comparing α measurements obtained in random packed monodisperse micro-spheres with Molecular Dynamics simulations of disordered porous media and 3D Monte Carlo simulation of particles diffusion in these kind of systems. Experimental results agree well with simulations that correlate the most used parameters and functions characterizing the disorder in porous media.

  10. Structure and damping of toroidal drift waves (and their implications for anomalous transport)

    International Nuclear Information System (INIS)

    Taylor, J.B.; Connor, J.; Wilson, H.R.

    1993-05-01

    The conventional theory of high-n toroidal drift waves, based on the ballooning representation, indicates that shear-damping is generally reduced in a torus compared to its plane-slab value. It therefore describes the most unstable class of toroidal drift waves. However, modes of this type occur only i f the diamagnetic frequency ω*(r) has a maximum in r, and they affect only a small fraction, Ο(1/n l/2 ), of the plasma radius around this maximum. Consequently they may produce little anomalous transport. In the present work we show that, within the ballooning description, there is another class of toroidal drift waves with very different properties to the conventional ones. The new modes have greater shear-damping (closer to that in a plane-slab) than the conventional ones and so have a higher instability threshold. However, they occur for any plasma profile and at all radii, and they have larger radial extent. Consequently they may produce much greater anomalous transport than the possibly benign conventional modes. This suggests a picture of anomalous transport in which the plasma profile is determined by marginal stability, but marginal to the new class of modes not to the conventional ones. This might explain why marginally stable profiles calculated for drift waves with plane-slab damping sometimes agree well with the profiles in toroidal experiments. It is also consistent with the fact that experimental profiles may exceed conventional toroidal instability thresholds. The new modes may also be related to the tong radial structures which appear in some plasma simulations and in experiments

  11. A semi-structured, phenomenologically oriented psychiatric interview: Descriptive congruens in assessing anomalous subjective experience and mental status

    DEFF Research Database (Denmark)

    Frederiksen, Julie Elisabeth Nordgaard; Parnas, Josef Stefan Stanislaw

    2012-01-01

    the interrater congruens between experienced clinicians with a semi structured, phenomenologically oriented psychopathological interview assessing anomalous self-experience and mental status. Method: Seventeen inpatients were interviewed by one of the raters, with both raters were present. The interview......-introduced rater, since it is that kind of researchers that are typically enrolled for the empirical data collections.......Objective: The contemporary methodology in obtaining psychopathological information relies almost exclusively on the use of structured questionnaires and interview schedules. These interviews yield high interrater reliability and reduce cost. The assessments of anomalous self...

  12. Structure investigation of metal ions clustering in dehydrated gel using x-ray anomalous dispersion effect

    CERN Document Server

    Soejima, Y; Sugiyama, M; Annaka, M; Nakamura, A; Hiramatsu, N; Hara, K

    2003-01-01

    The structure of copper ion clusters in dehydrated N-isopropylacrylamide/sodium acrylate (NIPA/SA) gel has been studied by means of small angle X-ray scattering (SAXS) method. In order to distinguish the intensity scattered by Cu ions, the X-ray anomalous dispersion effect around the Cu K absorption edge has been coupled with SAXS. It is found that the dispersion effect dependent on the incident X-ray energy is remarkable only at the momentum transfer q = 0.031 A sup - sup 1 , where a SAXS peak is observed. The results indicate that copper ions form clusters in the dehydrated gel, and that the mean size of clusters is the same as that of SA clusters produced by microphase separation. It is therefore naturally presumed that copper ions are adsorbed into the SA molecules. On the basis of the presumption, a mechanism is proposed for microphase-separation and clustering of Cu ions.

  13. Sample-angle feedback for diffraction anomalous fine-structure spectroscopy

    International Nuclear Information System (INIS)

    Cross, J.O.; Elam, W.T.; Harris, V.G.; Kirkland, J.P.; Bouldin, C.E.; Sorensen, L.B.

    1998-01-01

    Diffraction anomalous fine-structure (DAFS) experiments measure Bragg peak intensities as continuous functions of photon energy near a core-level excitation. Measuring the integrated intensity at each energy makes the experiments prohibitively slow; however, in many cases DAFS can be collected quickly by measuring only the peak intensity at the center of the rocking curve. A piezoelectric-actuator-driven stage has been designed and tested as part of a sample-angle feedback circuit for locking onto the maximum of the rocking curve while the energy is scanned. Although software peak-tracking requires only a simple calculation of diffractometer angles, it is found that the additional hardware feedback dramatically improves the reproducibility of the data

  14. Grazing incidence diffraction anomalous fine structure of self-assembled semiconductor nanostructures

    International Nuclear Information System (INIS)

    Grenier, S.; Letoublon, A.; Proietti, M.G.; Renevier, H.; Gonzalez, L.; Garcia, J.M.; Priester, C.; Garcia, J.

    2003-01-01

    We have studied self-organized quantum wires of InAs, grown by molecular beam epitaxy onto a InP(0 0 1) substrate, by means of grazing incidence diffraction anomalous fine structure (DAFS). The equivalent quantum wires thickness is 2.5 monolayers. We measured the (4 4 0) and (4 2 0) GIDAFS spectra, at the As K-edge, keeping the incidence and exit angles close to the InP critical angle. The analysis of both the smooth and oscillatory contributions of the DAFS spectrum, provide valuable information about composition and strain inside the quantum wires and close to the interface. We also show preliminary results on InAs wires encapsulated by a 40 A thick InP capping layer, suggesting the DAFS capability of probing different iso-strain regions of the wires

  15. Structural features of bionanocomposite derived from novel ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 36; Issue 2. Structural features of bionanocomposite derived from novel designed poly(ester-imide) based on natural amino acids with hydroxyl segments tailored for better dispersion of TiO2 nanofiller. Shadpour Mallakpour Parvin Asadi. Volume 36 Issue 2 April 2013 ...

  16. Some interesting structural features and metallated hypervalent ...

    Indian Academy of Sciences (India)

    Administrator

    The metallation of hypervalent species/electron deficient molecules 1 of main group elements with transition metals through nucleophilic substitution reactions has resulted in the isolation of some novel products 2. These synthetic species have some interesting structural features. An overview of our experience in this field is ...

  17. Soft radiation in heavy-particle pair production: All-order colour structure and two-loop anomalous dimension

    International Nuclear Information System (INIS)

    Beneke, M.; Falgari, P.; Schwinn, C.

    2010-01-01

    We consider the total production cross section of heavy coloured particle pairs in hadronic collisions at the production threshold. We construct a basis in colour space that diagonalizes to all orders in perturbation theory the soft function, which appears in a new factorization formula for the combined resummation of soft gluon and Coulomb gluon effects. This extends recent results on the structure of soft anomalous dimensions and allows us to determine an analytic expression for the two-loop soft anomalous dimension at threshold for all production processes of interest.

  18. Anomalous Ambipolar Transport of Organic Semiconducting Crystals via Control of Molecular Packing Structures.

    Science.gov (United States)

    Park, Beomjin; Kim, Kyunghun; Park, Jaesung; Lim, Heeseon; Lanh, Phung Thi; Jang, A-Rang; Hyun, Chohee; Myung, Chang Woo; Park, Seungkyoo; Kim, Jeong Won; Kim, Kwang S; Shin, Hyeon Suk; Lee, Geunsik; Kim, Se Hyun; Park, Chan Eon; Kim, Jin Kon

    2017-08-23

    Organic crystals deposited on 2-dimensional (2D) van der Waals substrates have been widely investigated due to their unprecedented crystal structures and electrical properties. van der Waals interaction between organic molecules and the substrate induces epitaxial growth of high quality organic crystals and their anomalous crystal morphologies. Here, we report on unique ambipolar charge transport of a "lying-down" pentacene crystal grown on a 2D hexagonal boron nitride van der Waals substrate. From in-depth analysis on crystal growth behavior and ultraviolet photoemission spectroscopy measurement, it is revealed that the pentacene crystal at the initial growth stage have a lattice-strained packing structure and unique energy band structure with a deep highest occupied molecular orbital level compared to conventional "standing-up" crystals. The lattice-strained pentacene few layers enable ambipolar charge transport in field-effect transistors with balanced hole and electron field-effect mobilities. Complementary logic circuits composed of the two identical transistors show clear inverting functionality with a high gain up to 15. The interesting crystal morphology of organic crystals on van der Waals substrates is expected to attract broad attentions on organic/2D interfaces for their electronic applications.

  19. Online Farsi Character Recognition Using Structural Features

    Directory of Open Access Journals (Sweden)

    Vahid Ghods

    2012-04-01

    Full Text Available In this paper, grouping and recognition of online Farsi discrete characters are presented according to their structural features. The letters are divided into 9 groups based on the form and structure of their main bodies. After feature extraction, grouping is performed using a decision tree. Final recognition of letters is carried out in each group by delayed strokes. The proposed method is a rapid method in character recognition because time-consuming methods have not been used. Our proposed method was tested on TMU-OFS dataset, and a recognition rate of 94% and 92% was achieved for character grouping and recognition, respectively. The mean processing time for recognizing a letter was 3ms.

  20. Feature Extraction for Structural Dynamics Model Validation

    Energy Technology Data Exchange (ETDEWEB)

    Farrar, Charles [Los Alamos National Laboratory; Nishio, Mayuko [Yokohama University; Hemez, Francois [Los Alamos National Laboratory; Stull, Chris [Los Alamos National Laboratory; Park, Gyuhae [Chonnam Univesity; Cornwell, Phil [Rose-Hulman Institute of Technology; Figueiredo, Eloi [Universidade Lusófona; Luscher, D. J. [Los Alamos National Laboratory; Worden, Keith [University of Sheffield

    2016-01-13

    As structural dynamics becomes increasingly non-modal, stochastic and nonlinear, finite element model-updating technology must adopt the broader notions of model validation and uncertainty quantification. For example, particular re-sampling procedures must be implemented to propagate uncertainty through a forward calculation, and non-modal features must be defined to analyze nonlinear data sets. The latter topic is the focus of this report, but first, some more general comments regarding the concept of model validation will be discussed.

  1. Development of powder diffraction anomalous fine structure method and applications to electrode materials for rechargeable batteries

    International Nuclear Information System (INIS)

    Kawaguchi, Tomoya; Fukuda, Katsutoshi; Oishi, Masatsugu; Ichitsubo, Tetsu; Matsubara, Eiichiro; Mizuki, Jun'ichiro

    2015-01-01

    A powder diffraction anomalous fine structure (P-DAFS) method is developed both in analytical and experimental techniques and applied to cathode materials for lithium ion batteries. The DAFS method, which is an absorption spectroscopic technique through a scattering measurement, enables us to analyze the chemical states and the local structures of a certain element at different sites, thanks to the nature of x-ray diffraction, where the contributions from each site are different at each diffraction. Electrode materials for rechargeable batteries frequently exhibit the interchange between Li and a transition metal, which is known as the cation mixing phenomena. This cation mixing significantly affects the whole electrode properties; therefore, the site-distinguished understanding of the roles of the transition metal is essential for further material design by controlling and positively utilizing this cation mixing phenomenon. However, the developments of the P-DAFS method are required for the applications to the practical materials such as the electrode materials. In the present study, a direct analysis technique to extract the absorption spectrum from the scattering without using the conventional iterative calculations, fast and accurate measurement techniques of the P-DAFS method, and applications to a typical electrode material of Li 1-x Ni 1+x O 2 , which exhibits the significant cation mixing, are described. (author)

  2. Extracting Conceptual Feature Structures from Text

    DEFF Research Database (Denmark)

    Andreasen, Troels; Bulskov, Henrik; Lassen, Tine

    2011-01-01

    This paper describes an approach to indexing texts by their conceptual content using ontologies along with lexico-syntactic information and semantic role assignment provided by lexical resources. The conceptual content of meaningful chunks of text is transformed into conceptual feature structures...... and mapped into concepts in a generative ontology. Synonymous but linguistically quite distinct expressions are mapped to the same concept in the ontology. This allows us to perform a content-based search which will retrieve relevant documents independently of the linguistic form of the query as well...

  3. A semi-structured, phenomenologically oriented psychiatric interview: Descriptive congruens in assessing anomalous subjective experience and mental status

    DEFF Research Database (Denmark)

    Frederiksen, Julie Elisabeth Nordgaard; Parnas, Josef Stefan Stanislaw

    2012-01-01

    Objective: The contemporary methodology in obtaining psychopathological information relies almost exclusively on the use of structured questionnaires and interview schedules. These interviews yield high interrater reliability and reduce cost. The assessments of anomalous self-experience and of me......Objective: The contemporary methodology in obtaining psychopathological information relies almost exclusively on the use of structured questionnaires and interview schedules. These interviews yield high interrater reliability and reduce cost. The assessments of anomalous self...... comprised of a thorough psychosocial history and the EASE–scale. Results: The interater-congruens for the total EASE-scale showed nearly perfect agreement with kappa=0.94. The interrater-reliablility for the MSE assessment showed substantial to complete agreement with kappa above 0.81, except for four items...

  4. Introduction to the application and limits of anomalous X-ray diffraction in the determination of partial structure factors

    International Nuclear Information System (INIS)

    Bienenstock, A.

    1993-01-01

    The use of anomalous X-ray scattering to obtain the first differences and partial structure factors normally obtained with isotopic substitution neutron diffraction is described and compared with the neutron technique. Both the problems associated with the X-ray technique (low-Z problems, scattering factor problems, Compton scattering problems, fluorescence problems, storage ring stability problems) and the situations in which it is highly valuable are discussed. 12 refs

  5. Structural Features of Caspase-Activating Complexes

    Directory of Open Access Journals (Sweden)

    Hyun Ho Park

    2012-04-01

    Full Text Available Apoptosis, also called programmed cell death, is an orderly cellular suicide program that is critical for the development, immune regulation and homeostasis of a multi-cellular organism. Failure to control this process can lead to serious human diseases, including many types of cancer, neurodegenerative diseases, and autoimmununity. The process of apoptosis is mediated by the sequential activation of caspases, which are cysteine proteases. Initiator caspases, such as caspase-2, -8, -9, and -10, are activated by formation of caspase-activating complexes, which function as a platform to recruit caspases, providing proximity for self-activation. Well-known initiator caspase-activating complexes include (1 DISC (Death Inducing Signaling Complex, which activates caspases-8 and 10; (2 Apoptosome, which activates caspase-9; and (3 PIDDosome, which activates caspase-2. Because of the fundamental biological importance of capases, many structural and biochemical studies to understand the molecular basis of assembly mechanism of caspase-activating complexes have been performed. In this review, we summarize previous studies that have examined the structural and biochemical features of caspase-activating complexes. By analyzing the structural basis for the assembly mechanism of the caspase-activating complex, we hope to provide a comprehensive understanding of caspase activation by these important oligomeric complexes.

  6. Strain, size and composition of InAs quantum sticks, embedded in InP, determined via X-ray anomalous diffraction and diffraction anomalous fine structure in grazing incidence

    International Nuclear Information System (INIS)

    Letoublon, A.; Favre-Nicolin, V.; Renevier, H.; Proietti, M.G.; Monat, C.; Gendry, M.; Marty, O.; Priester, C.

    2005-01-01

    We report on the study of strain, size and composition of small-size encapsulated semiconductor nanostructures. We show that the partial structure factor of As atoms in InAs stick-like nanostructures (quantum sticks), embedded in InP, can be directly extracted from grazing incidence anomalous X-ray diffraction maps at the As K-edge. We have recovered the average height and strain of the islands and determined their composition. The average height of the quantum sticks (QSs), as deduced from the width of the structure factor profile is 2.54 nm. The InAs out of plane deformation, relative to InP, is equal to 6.1%. Fixed-Q anomalous diffraction spectra, measured at the As K-edge, in grazing incidence provide clear evidence of pure InAs QSs. This is confirmed by the analysis of the diffraction anomalous fine structure (DAFS) that also gives a direct way to recover the strain accomodation inside the quantum sticks. Finite difference method calculations reproduce well the diffraction data. Chemical mixing at interfaces is at most 1 ML. This paper shows that ultimate application of anomalous diffraction and DAFS together with reciprocal space maps is a powerful method to sudy the structural properties of nanostructures

  7. The Edgerton Structure: A Possible Meteorite Impact Feature in Eastern Kansas

    Directory of Open Access Journals (Sweden)

    Daniel F. Merriam

    2009-01-01

    Full Text Available Recognized meteorite impact features are relatively rare in the U.S. Midcontinent region, but recently with increased interest and research, the number has increased dramatically. We add another possibility to the growing list, the Edgerton structure in northwestern Miami County, Kansas. The feature is elliptical (∼5.5 × 6.5 km, slightly elongated east-west with radial surface drainage. The feature was first observed on hillshade maps of digitized topography of 7.5 minute quadrangles. Subsequent magnetic profiles show a higher magnetic value in the center of the ellipse with higher values around the edges; this shape is characteristic of an impact feature. Depth to the anomalous body is estimated to be about 1 km, which puts it in the Precambrian crystalline basement under a cover of Paleozoic sediments. There are no deep boreholes in the vicinity and no seismic profiles are available. If it is an impact structure, it will be the second such feature documented in Kansas, the first being the Brenham meteorite crater at Haviland in Kiowa County in southwestern Kansas. It would be older than the other impact structures identified in the Midcontinent—Manson in Iowa, Ames in Oklahoma, Haswell Hole in Colorado, and possibly Belton in Missouri and Merna in Nebraska. There are at least two other prospective impact features in Kansas: the Goddard ring west of Wichita and Garden City ellipse north-west of Garden City.

  8. Chiral anomalous dispersion

    Science.gov (United States)

    Sadofyev, Andrey; Sen, Srimoyee

    2018-02-01

    The linearized Einstein equation describing graviton propagation through a chiral medium appears to be helicity dependent. We analyze features of the corresponding spectrum in a collision-less regime above a flat background. In the long wave-length limit, circularly polarized metric perturbations travel with a helicity dependent group velocity that can turn negative giving rise to a new type of an anomalous dispersion. We further show that this chiral anomalous dispersion is a general feature of polarized modes propagating through chiral plasmas extending our result to the electromagnetic sector.

  9. Characterization of self-organized InGaN/GaN quantum dots by Diffraction Anomalous Fine Structure (DAFS)

    International Nuclear Information System (INIS)

    Piskorska, E.; Holy, V.; Siebert, M.; Schmidt, Th.; Falta, J.; Yamaguchi, T.; Hommel, D.; Renevier, H.

    2006-01-01

    The local chemical composition of InGaN quantum dots grown by a MBE method on GaN virtual substrates was investigated by x-ray diffraction anomalous fine-structure method. From the detailed numerical analysis of the data we were able to reconstruct the local neighborhood of Ga atoms at different positions in the dots. Using this approach, we found that the In content increases from 20% at the dot base to 40-50% at the top. (author) [pl

  10. Anomalous Schottky specific heat and structural distortion in ferromagnetic PrAl2.

    Science.gov (United States)

    Pathak, Arjun K; Paudyal, D; Mudryk, Y; Gschneidner, K A; Pecharsky, V K

    2013-05-03

    Unique from other rare earth dialuminides, PrAl(2) undergoes a cubic to tetragonal distortion below T = 30 K in a zero magnetic field, but the system recovers its cubic symmetry upon the application of an external magnetic field of 10 kOe via a lifting of the 4f crystal field splitting. The nuclear Schottky specific heat in PrAl(2) is anomalously high compared to that of pure Pr metal. First principles calculations reveal that the 4f crystal field splitting in the tetragonally distorted phase of PrAl(2) underpins the observed unusual low temperature phenomena.

  11. Anomalous H/D isotope effect in hydrogen bonded systems: H-bonded cyclic structures and transfers of protons

    International Nuclear Information System (INIS)

    Marechal, Y.

    1993-01-01

    The systematic H/D substitution is a precious tool to obtain information on the dynamics of H-bonds. It is particularly useful in IR spectroscopy where H-bonds are at the origin of particularly intense and specific bands and where the particularly great value for the m D /m H ratio ensures strongly marked effects. In most H-bonded systems the effects of these substitutions are normal, in the sense that they are at the origin of bands having intensities, centers (of intensity) and widths smaller in D-bonds by a factor close to √2 as compared to H-bonds. In some systems as carboxylic acid dimers, however, anomalous ratios of intensities are found upon such a substitution. Their origin is still obscure. Experimental results suggest that such anomalous ratios have much to do with the cyclic structure of these systems. It leads to stressing an important property of H-bonded cyclic structures which is that they seem necessary for having transfers of protons between molecules through H-bonds in a neutral aqueous medium (p H =7) at room temperature. The mechanism of such transfers of protons is still poorly known, but these transfers are now suspected to play a fundamental role in such widespread reactions as hydrolysis, peptide synthesis, etc... which may make them soon appear as being a crucial basic mechanism for reactivity of aqueous systems, particularly biological systems

  12. Validity of active fault identification through magnetic anomalous using earthquake mechanism, microgravity and topography structure analysis in Cisolok area

    Science.gov (United States)

    Setyonegoro, Wiko; Kurniawan, Telly; Ahadi, Suaidi; Rohadi, Supriyanto; Hardy, Thomas; Prayogo, Angga S.

    2017-07-01

    Research was conducted to determine the value of the magnetic anomalies to identify anomalous value standard fault, down or up with the type of Meratus trending northeast-southwest Cisolok, Sukabumi. Data collection was performed by setting the measurement grid at intervals of 5 meters distance measurement using a Precision Proton Magnetometer (PPM) -GSM-19T. To identification the active fault using magnetic is needed another parameter. The purpose of this study is to identification active fault using magnetic Anomaly in related with subsurface structure through the validation analysis of earthquake mechanism, microgravity and with Topography Structure in Java Island. Qualitative interpretation is done by analyzing the residual anomaly that has been reduced to the pole while the quantitative interpretation is done by analyzing the pattern of residual anomalies through computation. The results of quantitative interpretation, an anomalous value reduction to the pole magnetic field is at -700 nT to 700 nT while the results of the qualitative interpretation of the modeling of the path AA', BB' and CC' shows the magnetic anomaly at coordinates liquefaction resources with a value of 1028.04, 1416.21, - 1565, -1686.91. The measurement results obtained in Cisolok magnetic anomalies that indicate a high content of alumina (Al) and iron (Fe) which be identified appears through the fault gap towards the northeast through Rajamandala Lembang Fault related to the mechanism in the form of a normal fault with slip rate of 2 mm / year.

  13. Features of structure of spirituality of students

    Directory of Open Access Journals (Sweden)

    T V Chkhikvadze

    2009-12-01

    Full Text Available The correlation of the structure of the spirituality is analyzed in the article, gender differences and differences between students of natural-science and humanitarian direction are investigated.

  14. Anomalous scaling of low-order structure functions of turbulent velocity

    International Nuclear Information System (INIS)

    Chen, S.Y.; Dhruva, B.; Kurien, S.; Sreenivasan, K.R.; Taylor, M.A.

    2006-12-01

    It is now believed that the scaling exponents of moments of velocity increments are anomalous, or that the departures from Kolmogorov's (1941) self-similar scaling increase nonlinearly with the increasing order of the moment. This appears to be true whether one considers velocity increments themselves or their absolute values. However, moments of order lower than 2 of the absolute values of velocity increments have not been investigated thoroughly for anomaly. Here, we discuss the importance of the scaling of non-integer moments of order between +2 and -1, and obtain them from direct numerical simulations at moderate Taylor microscale Reynolds numbers R λ ≤ 450, and experimental data at high Reynolds numbers (R λ ∼ 10 000). The relative difference between the measured exponents and Kolmogorov's prediction increases as the moment order decreases towards -1, thus showing that the anomaly is manifested in low-order moments as well. (author)

  15. Diffraction anomalous fine-structure study of strained Ga1-xInxAs on GaAs(001)

    International Nuclear Information System (INIS)

    Woicik, J.C.; Cross, J.O.; Bouldin, C.E.; Ravel, B.; Pellegrino, J.G.; Steiner, B.; Bompadre, S.G.; Sorensen, L.B.; Miyano, K.E.; Kirkland, J.P.

    1998-01-01

    Diffraction anomalous fine-structure measurements performed at both the Ga and As K edges have determined the Ga-As bond length to be 2.442±0.005thinsp Angstrom in a buried, 213-Angstrom-thick Ga 0.785 In 0.215 As layer grown coherently on GaAs(001). This bond length corresponds to a strain-induced contraction of 0.013±0.005thinsp Angstrom relative to the Ga-As bond length in bulk Ga 1-x In x As of the same composition. Together with recent extended x-ray-absorption fine-structure measurements performed at the In K edge [Woicik et al., Phys. Rev. Lett. 79, 5026 (1997)], excellent agreement is found with the uniform bond-length distortion model for strained-layer semiconductors on (001) substrates. copyright 1998 The American Physical Society

  16. Structural safety features for superconducting magnets

    International Nuclear Information System (INIS)

    Lehner, J.; Reich, M.; Powell, J.; Bezler, P.; Gardner, D.; Yu, W.; Chang, T.Y.

    1975-01-01

    A survey has been carried out for various potential structural safety problems of superconducting fusion magnets. These areas include: (1) Stresses due to inhomogeneous temperature distributions in magnets where normal regions have been initiated. (2) Stress distributions and yield forces due to cracks and failed regions. (3) Superconducting magnet response due to seismic excitation. These analyses have been carried out using a variety of large capacity finite element computer codes that allow for the evaluation of stresses in elastic or elastic-plastic zones and around singularities in the magnet structure. Thus far, these analyses have been carried out on UWMAK-I type magnet systems

  17. Detection of anomalous features in an earthen dam using inversion of P-wave first-arrival times and surface-wave dispersion curves

    Science.gov (United States)

    Kim, K. Y.; Jeon, K. M.; Hong, M. H.; Park, Young-gyu

    2011-02-01

    To locate anomalous features including seepage pathways through the Daeryong earth-fill dam, P and Rayleigh waves were recorded along a 250-m profile on the crest of the dam. Seismic energy was generated using a 5-kg sledgehammer and detected by 24 4.5-Hz vertical-axis geophones installed at 3-m intervals. P-wave and apparent S-wave velocities of the reservoir dam and underlying bedrock were then inverted from first-arrival traveltimes and dispersion curves of Rayleigh waves, respectively. Apparent dynamic Poisson's ratios as high as 0.46 were obtained at the base of the dam near its north-east end, where an outlet conduit occurs, and in the clay core body near the south-west end of the profile where the dam was repeatedly grouted to abate seepage before our survey. These anomalies of higher Poisson's ratios in the upper part of clay core were also associated with effusion of grout on the downstream slope of the dam during post-survey grouting to abate leakage. Combining P-wave traveltime tomography and inversion of Rayleigh wave velocities was very effective in detecting potential pathways for seepage and previous grouted zones in this earthen dam.

  18. Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.

    Science.gov (United States)

    Lartigue, Audrey; Gruez, Arnaud; Briand, Loïc; Blon, Florence; Bézirard, Valérie; Walsh, Martin; Pernollet, Jean-Claude; Tegoni, Mariella; Cambillau, Christian

    2004-02-06

    Pheromone binding proteins (PBPs) are small helical proteins ( approximately 13-17 kDa) present in several sensory organs from moth and other insect species. They are involved in the transport of pheromones from the sensillar lymph to the olfactory receptors. We report here the crystal structure of a PBP (Amel-ASP1) originating from the honey-bee (Apis mellifera) antennae and expressed as recombinant protein in the yeast Pichia pastoris. Crystals of Amel-ASP1 were obtained at pH 5.5 using the nano-drops technique of crystallization with a novel optimization procedure, and the structure was solved initially with the single-wavelength anomalous diffraction technique using sulfur anomalous dispersion. The structure of Amel-ASP1 has been refined at 1.6-A resolution. Its fold is roughly similar to that of other PBP/odorant binding proteins, presenting six helices and three disulfide bridges. Contrary to the PBPs from Bombyx mori (Sandler, B. H., Nikonova, L., Leal, W. S., and Clardy, J. (2000) Chem. Biol. 7, 143-151) and Leucophea maderae (Lartigue, A., Gruez, A., Spinelli, S., Riviere, S., Brossut, R., Tegoni, M., and Cambillau, C. (2003) J. Biol. Chem. 278, 30213-30218), the extended C terminus folds into the protein and forms a wall of the internal hydrophobic cavity. Its backbone groups establish two hydrogen bonds with a serendipitous ligand, n-butyl-benzene-sulfonamide, an additive used in plastics. This mode of binding might, however, mimic that used by one of the pheromonal blend components and illustrates the binding versatility of PBPs.

  19. Internet of Things: Structure, Features and Management

    Directory of Open Access Journals (Sweden)

    Aleksandrovičs Vladislavs

    2016-12-01

    Full Text Available Internet of Things (IoT - a rapidly developing technology today and most likely everyday thing in the future. Numerous devices, computing machines and build-in sensors connected in a single dynamic network continuously receive and exchange information from the outer environment. Huge data clusters are collected and put to use in handmade applications that scrupulously manage and control given objectives. In this way, an interactive technical infrastructure is created, which can oversee and infiltrate any person’s vital processes. Though separately every device and technological solution in the IoT can be known for many years, each architecture is unique and provides new challenges for the network owner. This research aims to investigate IoT general structure and management aspects with the knowledge of which the authors will try to answer a trivial question whether it is possible to comprehensively control such a tremendous structure with the current level of technology.

  20. Unique Structural Features Facilitate Lizard Tail Autotomy

    DEFF Research Database (Denmark)

    Sanggaard, Kristian Wejse; Danielsen, C. C.; Wogensen, L.

    2012-01-01

    that tail shedding by the Tokay gecko (Gekko gecko) and the associated extracellular matrix (ECM) rupture were independent of proteolysis. Instead, lizard caudal autotomy relied on biological adhesion facilitated by surface microstructures. Results based on bio-imaging techniques demonstrated that the tail...... of Gekko gecko was pre-severed at distinct sites and that its structural integrity depended on the adhesion between these segments....

  1. Unique structural features facilitate lizard tail autotomy.

    Science.gov (United States)

    Sanggaard, Kristian W; Danielsen, Carl Chr; Wogensen, Lise; Vinding, Mads S; Rydtoft, Louise M; Mortensen, Martin B; Karring, Henrik; Nielsen, Niels Chr; Wang, Tobias; Thøgersen, Ida B; Enghild, Jan J

    2012-01-01

    Autotomy refers to the voluntary shedding of a body part; a renowned example is tail loss among lizards as a response to attempted predation. Although many aspects of lizard tail autotomy have been studied, the detailed morphology and mechanism remains unclear. In the present study, we showed that tail shedding by the Tokay gecko (Gekko gecko) and the associated extracellular matrix (ECM) rupture were independent of proteolysis. Instead, lizard caudal autotomy relied on biological adhesion facilitated by surface microstructures. Results based on bio-imaging techniques demonstrated that the tail of Gekko gecko was pre-severed at distinct sites and that its structural integrity depended on the adhesion between these segments.

  2. Complementary information on CdSe/ZnSe quantum dot local structure from extended X-ray absorption fine structure and diffraction anomalous fine structure measurements

    International Nuclear Information System (INIS)

    Piskorska-Hommel, E.; Holý, V.; Caha, O.; Wolska, A.; Gust, A.; Kruse, C.; Kröncke, H.; Falta, J.; Hommel, D.

    2012-01-01

    The extended X-ray absorption fine structure (EXAFS) and diffraction anomalous fine structure (DAFS) have been applied to investigate a local structure for the CdSe/ZnSe quantum dots grown by molecular beam epitaxy (MBE) and migration-enhanced epitaxy (MEE). The aim was to study the intermixing of Cd and Zn atoms, chemical compositions and strain induced by cap-layer. The EXAFS at the Cd K-edge and DAFS at the Se K-edge proved the intermixing of Cd and Zn atoms. The distances Cd–Se (2.61 Å) found from EXAFS and DAFS analysis for h 1 region is closer to that in bulk CdSe (2.62 Å). The DAFS analysis revealed the differences in the local structure in two investigated regions (i.e. different iso-strain volumes) on the quantum dots. It was found that the investigated areas differ in the Cd concentration. To explain the experimental results the theoretical calculation based on a full valence-force field (VFF) model was performed. The theoretical VFF model fully explains the experimental data.

  3. Unique structural features facilitate lizard tail autotomy.

    Directory of Open Access Journals (Sweden)

    Kristian W Sanggaard

    Full Text Available Autotomy refers to the voluntary shedding of a body part; a renowned example is tail loss among lizards as a response to attempted predation. Although many aspects of lizard tail autotomy have been studied, the detailed morphology and mechanism remains unclear. In the present study, we showed that tail shedding by the Tokay gecko (Gekko gecko and the associated extracellular matrix (ECM rupture were independent of proteolysis. Instead, lizard caudal autotomy relied on biological adhesion facilitated by surface microstructures. Results based on bio-imaging techniques demonstrated that the tail of Gekko gecko was pre-severed at distinct sites and that its structural integrity depended on the adhesion between these segments.

  4. Features of micromorphological structure of medicinal hyssop

    Directory of Open Access Journals (Sweden)

    Lyudmyla A. Kotyuk

    2016-06-01

    Full Text Available Micromorphological peculiarities of the structure of vegetative and generative organs of Hyssopus officinalis were analyzed. The epidermis of H. officinalis reveals diacyctic stomata and external outgrowths: glandular and covering trichomes, as well as peltate essential oil glands. Capitate and bent indumentary (covering trichomes occur on the stem, while on the leaves peltate glands, conical and bent uni- and multicellular trichomes were observed. On the calyx, in the midrib region, there are peltate glands while the ribs are densely covered with indumentary and glandular trichomes. The corolla’s adaxial surface is covered with long indumentary trichomes, with sparse peltate glands occurring on the margins. The highest density of essential oil peltate glands is found on the adaxial surface of the calyx upper lip (15.8±2.54 pcs./mm2 and on the leaf abaxial surface (13.6±2.40 pcs./mm2. Glands with the largest diameter (47.82±2.82 μm are located on the leaf adaxial surface.

  5. The South Atlantic Geomagnetic Anomaly: a recent anomalous feature of the secular variation during the Holocene. Paleomagnetic evidence from Holocene Chilean volcanic rocks.

    Science.gov (United States)

    Roperch, P. J.; Chauvin, A.; Lara, L.; Moreno, H.

    2015-12-01

    In order to better describe the secular variation during the Holocene in the southern hemisphere, we sampled 21 dated lava flows or pyroclastic flows from several Chilean volcanoes (Lonquimay, Llaima, Solipulli, Villarrica, Mocho-Choshuenco, Osorno, Calbuco). We also sampled 56 sites in Holocene lava flows with only relative ages with respect of the dated units. The steepest inclination of the geomagnetic field (-71.6°) and the highest intensity (70µT±5) are found at Osorno volcano (calibrated age range of 782-966AD). The steep inclination is also observed in dated lava flows of the same age range at Llaima volcano. The VGP associated with the steep inclination is not much different from the VGP recorded at European sites suggesting a significant dipole wobble at that time. Mean paleointensities of 63, 60.3 and 57.5µT obtained in three dated units in the time range 0-2000BC confirm the high geomagnetic dipole moment of the Earth's magnetic field for the two millennia BC. In contrast, paleointensity results in late Pleistocene units show that the magnetic field strength was low just prior to the Holocene (-14000 -15,000 BC). The available paleomagnetic results from Chile indicate little geomagnetic secular variation in direction during the Holocene. This observation contrasts with the large and rapid secular variation observed during the last two centuries (Roperch et al., 2015). Thus the South Atlantic Geomagnetic Anomaly appears to be a recent and unique anomalous feature of the Earth's magnetic field during the Holocene. Roperch et al. (2015), Phys. Earth. Planet. Int. doi:10.1016/j.pepi.2015.03.005

  6. Understanding Protein-Protein Interactions Using Local Structural Features

    DEFF Research Database (Denmark)

    Planas-Iglesias, Joan; Bonet, Jaume; García-García, Javier

    2013-01-01

    of this classification suggests that the balance between favoring and disfavoring structural features determines if a pair of proteins interacts or not. Our results are in agreement with previous works and support the funnel-like intermolecular energy landscape theory that explains PPIs. We have used these features...

  7. Crystal structure changes in Ni3Al and its anomalous temperature dependence of strength

    NARCIS (Netherlands)

    Ramesh, R.; Pathiraj, B.; Kolster, B.H.

    1996-01-01

    The existence of a structural transformation in Ni3Al alloys established earlier through X-ray diffraction, dilatometry and TEM investigations are summarised. The results obtained are discussed through a model proposed. The L12 structure appears to transform to another L12 or to a DO22 structure

  8. Nonparametric Statistical Structuring of Knowledge Systems Using Binary Feature Matches

    DEFF Research Database (Denmark)

    Mørup, Morten; Kano Glückstad, Fumiko; Herlau, Tue

    2014-01-01

    Structuring knowledge systems with binary features is often based on imposing a similarity measure and clustering objects according to this similarity. Unfortunately, such analyses can be heavily influenced by the choice of similarity measure. Furthermore, it is unclear at which level clusters have...... statistical support and how this approach generalizes to the structuring and alignment of knowledge systems. We propose a non-parametric Bayesian generative model for structuring binary feature data that does not depend on a specific choice of similarity measure. We jointly model all combinations of binary...... matches and structure the data into groups at the level in which they have statistical support. The model naturally extends to structuring and aligning an arbitrary number of systems. We analyze three datasets on educational concepts and their features and demonstrate how the proposed model can both...

  9. Nonparametric statistical structuring of knowledge systems using binary feature matches

    DEFF Research Database (Denmark)

    Mørup, Morten; Glückstad, Fumiko Kano; Herlau, Tue

    2014-01-01

    Structuring knowledge systems with binary features is often based on imposing a similarity measure and clustering objects according to this similarity. Unfortunately, such analyses can be heavily influenced by the choice of similarity measure. Furthermore, it is unclear at which level clusters have...... statistical support and how this approach generalizes to the structuring and alignment of knowledge systems. We propose a non-parametric Bayesian generative model for structuring binary feature data that does not depend on a specific choice of similarity measure. We jointly model all combinations of binary...... matches and structure the data into groups at the level in which they have statistical support. The model naturally extends to structuring and aligning an arbitrary number of systems. We analyze three datasets on educational concepts and their features and demonstrate how the proposed model can both...

  10. Molecular dynamics investigation into the structural features and transport properties of C60 in liquid argon.

    Science.gov (United States)

    Fang, Kuan-Chuan; Weng, Cheng-I

    2007-07-05

    Molecular dynamics (MD) simulations were performed to investigate the structural features and transport properties of C60 in liquid argon. The results reveal that an organized structure shell of liquid argon is formed close to the surface of a C60 fullerene molecule, thereby changing the solid/liquid interfacial structure. Furthermore, the simulation indicates that the C60-liquid argon fluid becomes structurally more stable as the C60 molecule volume fraction and the temperature increase. The viscosity of the fluid increases significantly as the C60 molecule loading is increased, particularly at a lower temperature. The thermal conductivity enhancement of the fluid in the present simulations is anomalously an order of magnitude higher than the theoretical predictions from either the Maxwell or the Lu and Liu models, and is found to vary approximately linearly with the C60 molecule volume fraction. The increased thermal conductivity is attributed to the nature of heat conduction in C60 molecule suspensions and an organized structure at the solid/liquid interface.

  11. Two cloud-point phenomena in tetrabutylammonium perfluorooctanoate aqueous solutions: anomalous temperature-induced phase and structure transitions.

    Science.gov (United States)

    Yan, Peng; Huang, Jin; Lu, Run-Chao; Jin, Chen; Xiao, Jin-Xin; Chen, Yong-Ming

    2005-03-24

    This paper reported the phase behavior and aggregate structure of tetrabutylammonium perfluorooctanoate (TBPFO), determined by differential scanning calorimeter, electrical conductivity, static/dynamic light scattering, and rheology methods. We found that above a certain concentration the TBPFO solution showed anomalous temperature-dependent phase behavior and structure transitions. Such an ionic surfactant solution exhibits two cloud points. When the temperature was increased, the solution turned from a homogeneous-phase to a liquid-liquid two-phase system, then to another homogeneous-phase, and finally to another liquid-liquid two-phase system. In the first homogeneous-phase region, the aggregates of TBPFO were rodlike micelles and the solution was Newtonian fluid. While in the second homogeneous-phase region, the aggregates of TBPFO were large wormlike micelles, and the solution behaved as pseudoplastic fluid that also exhibited viscoelastic behavior. We thought that the first cloud point might be caused by the "bridge" effect of the tetrabutylammonium counterion between the micelles and the second one by the formation of the micellar network.

  12. Anomalous temperature evolution of the electronic structure of FeSe

    Science.gov (United States)

    Kushnirenko, Y. S.; Kordyuk, A. A.; Fedorov, A. V.; Haubold, E.; Wolf, T.; Büchner, B.; Borisenko, S. V.

    2017-09-01

    We present angle-resolved photoemission spectroscopy data taken from the structurally simplest representative of iron-based superconductors, FeSe, in a wide temperature range. Apart from the variations related to the nematic transition, we detect very pronounced shifts of the dispersions on the scale of hundreds of degrees Kelvin. Remarkably, upon warming up the sample, the band structure has a tendency to relax to the one predicted by conventional band structure calculations, directly opposite to what is intuitively expected. Our findings shed light on the origin of the dominant interaction shaping the electronic states responsible for high-temperature superconductivity in iron-based materials.

  13. Effect of structural defects on anomalous ultrasound propagation in solids during second-order phase transitions

    International Nuclear Information System (INIS)

    Prudnikov, P. V.; Prudnikov, V. V.; Nosikhin, E. A.

    2008-01-01

    The effect of structural defects on the critical ultrasound absorption and ultrasound velocity dispersion in Ising-like three-dimensional systems is studied. A field-theoretical description of the dynamic effects of acoustic-wave propagation in solids during phase transitions is performed with allowance for both fluctuation and relaxation absorption mechanisms. The temperature and frequency dependences of the scaling functions of the absorption coefficient and the ultrasound velocity dispersion are calculated in a two-loop approximation for homogeneous and structurally disordered systems, and their asymptotic behavior in hydrodynamic and critical regions is separated. As compared to a homogeneous system, the presence of structural defects in it is shown to cause a stronger increase in the sound absorption coefficient and the sound velocity dispersion even in the hydrodynamic region as the critical temperature is reached. As compared to homogeneous analogs, structurally disordered systems should exhibit stronger temperature and frequency dependences of the acoustic characteristics in the critical region

  14. Anomalous Hall conductivity and electronic structures of Si-substituted Mn2CoAl epitaxial films

    Science.gov (United States)

    Arima, K.; Kuroda, F.; Yamada, S.; Fukushima, T.; Oguchi, T.; Hamaya, K.

    2018-02-01

    We study anomalous Hall conductivity (σAHC) and electronic band structures of Si-substituted Mn2CoAl (Mn2CoAl1 -xSix ). First-principles calculations reveal that the electronic band structure is like a spin-gapless system even after substituting a quaternary element of Si for Al up to x =0.2 in Mn2CoAl1 -xSix . This means that the Si substitution enables the Fermi-level shift without largely changing the electronic structures in Mn2CoAl . By using molecular beam epitaxy techniques, Mn2CoAl1 -xSix epitaxial films can be grown, leading to the systematic control of x (0 ⩽x ⩽0.3 ). In addition to the electrical conductivity, the values of σAHC for the Mn2CoAl1 -xSix films are similar to those in Mn2CoAl films shown in previous reports. We note that a very small σAHC of ˜1.1 S/cm is obtained for x = 0.225, and the sign of σAHC is changed from positive to negative at around x = 0.25. We discuss the origin of the sign reversal of σAHC as a consequence of the Fermi-level shift in Mn2CoAl . Considering the presence of the structural disorder in the Mn2CoAl1 -xSix films, we can conclude that the small value and sign reversal of σAHC are not related to the characteristics of spin-gapless semiconductors.

  15. The effect of anomalous utterances on language production

    OpenAIRE

    Ivanova, I; Wardlow, L; Warker, J; Ferreira, VS

    2017-01-01

    Speakers sometimes encounter utterances that have anomalous linguistic features. Are such features registered during comprehension and transferred to speakers' production systems? In two experiments, we explored these questions. In a syntactic-priming paradigm, speakers heard prime sentences with novel or intransitive verbs as part of prepositional-dative or double-object structures (e.g., The chef munded the cup to the burglar or The doctor existed the pirate the balloon). Speakers then desc...

  16. Metallacyclopentadienes: structural features and coordination in transition metal complexes

    International Nuclear Information System (INIS)

    Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu

    2004-01-01

    Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

  17. Anomalous Development of Brain Structure and Function in Spina Bifida Myelomeningocele

    Science.gov (United States)

    Juranek, Jenifer; Salman, Michael S.

    2010-01-01

    Spina bifida myelomeningocele (SBM) is a specific type of neural tube defect whereby the open neural tube at the level of the spinal cord alters brain development during early stages of gestation. Some structural anomalies are virtually unique to individuals with SBM, including a complex pattern of cerebellar dysplasia known as the Chiari II…

  18. Structural features on 4Vesta: Observations and analysis

    Science.gov (United States)

    Buczkowski, D.; Kahn, E.; Barnouin, O. S.; Wyrick, D. Y.; Gaskell, R. W.; Yingst, R.; Williams, D. A.; Garry, W. B.; LeCorre, L.; Nathues, A.; Scully, J. E.; Blewett, D. T.; Hiesinger, H.; Schenk, P.; Mest, S. C.; Schmedemann, N.; Krohn, K.; Jaumann, R.; Raymond, C. A.; Roatsch, T.; Preusker, F.; Reddy, V.; Denevi, B. W.; Filacchione, G.; Pieters, C. M.; Russell, C. T.

    2011-12-01

    Images of 4Vesta taken by the Framing Camera (FC) instrument on the Dawn spacecraft reveal the presence of large-scale structural features on the surface of the asteroid. We map these structures directly onto the Vesta shape model, using the Small Body Mapping Tool (SBMT). The structures can thus be modeled to define planes that cut through the asteroid, and the pole of the plane described by each individual lineament can be determined. We then compare these poles to determine if they are similarly oriented or if visual identification is confused by the shape of the asteroid. Structural features observed to date include an equatorial set of wide flat-floor troughs, bounded by steep scarps. In some regions of the asteroid these troughs are preferentially expressed as pit crater chains, a type of feature commonly associated with graben on other planetary bodies. A relatively muted flat-floor trough starting at ~75°E longitude extends to the northwest at an angle from the equatorial troughs; a set of grooves are similarly oriented and appear to be associated structures. At least two sets of grooves and ridges are identified on the floor of the South Polar Feature. The more prominent set of structures appear to trend along a north-south line and several cut the central hill. However, a set of smaller features are observed trending east-west. Analysis of these structures will contribute to our knowledge of the stress history of 4Vesta and may support models for the formation of the South Polar Feature. The authors gratefully acknowledge the support of the Dawn Instrument, Operations, and Science Teams.

  19. Understanding Structural Features of Microbial Lipases–-An Overview

    Directory of Open Access Journals (Sweden)

    John Geraldine Sandana Mala

    2008-01-01

    Full Text Available The structural elucidations of microbial lipases have been of prime interest since the 1980s. Knowledge of structural features plays an important role in designing and engineering lipases for specific purposes. Significant structural data have been presented for few microbial lipases, while, there is still a structure-deficit, that is, most lipase structures are yet to be resolved. A search for ‘lipase structure’ in the RCSB Protein Data Bank ( http://www.rcsb.org/pdb/ returns only 93 hits (as of September 2007 and, the NCBI database ( http://www.ncbi.nlm.nih.gov reports 89 lipase structures as compared to 14719 core nucleotide records. It is therefore worthwhile to consider investigations on the structural analysis of microbial lipases. This review is intended to provide a collection of resources on the instrumental, chemical and bioinformatics approaches for structure analyses. X-ray crystallography is a versatile tool for the structural biochemists and is been exploited till today. The chemical methods of recent interests include molecular modeling and combinatorial designs. Bioinformatics has surged striking interests in protein structural analysis with the advent of innumerable tools. Furthermore, a literature platform of the structural elucidations so far investigated has been presented with detailed descriptions as applicable to microbial lipases. A case study of Candida rugosa lipase (CRL has also been discussed which highlights important structural features also common to most lipases. A general profile of lipase has been vividly described with an overview of lipase research reviewed in the past.

  20. Structure of the hydrophobic protein crambin determined directly from the anomalous scattering of sulphur

    Science.gov (United States)

    Hendrickson, Wayne A.

    1981-03-01

    The highly ordered crystal structure of crambin has been solved at 1.5 Å resolution directly from the diffraction data of a native crystal at a wavelength remote from the sulphur absorption edge. The molecule has three disulphide bridges among its 46 amino acid residues, of which 46% are in helices and 17% are in a β-sheet. Crambin is shown to be an amphipathic protein, inasmuch as its six charged groups are segregated from hydrophobic surface elements. Phasing methods used here will also apply elsewhere.

  1. Anomalous magnetic structure and spin dynamics in magnetoelectric LiFePO4

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Reehuis, Manfred; Jensen, Thomas Bagger Stibius

    2015-01-01

    We report significant details of the magnetic structure and spin dynamics of LiFePO4 obtained by single-crystal neutron scattering. Our results confirm a previously reported collinear rotation of the spins away from the principal b axis, and they determine that the rotation is toward the a axis...... with earlier susceptibility measurements. Using a spin Hamiltonian, we show that the spin dimensionality is intermediate between XY- and Ising-like, with an easy b axis and a hard c axis. It is shown that both next-nearest neighbor exchange couplings in the bc plane are in competition with the strongest...

  2. New damage-sensitive feature for structures with bolted joints

    Science.gov (United States)

    Luo, W. F.; Yu, L.

    2017-05-01

    Compared with riveted and welded joints, bolted joints have advantages of easily dismantled, high load carrying and load-transferring capacity. However, bolted joints are also weaker components of assembled structures. Structural damage detection (SDD) on bolted joints is much required in the field of structural health monitoring (SHM). A new SDD method is proposed for damage identification of structures with bolted joints based on residual error of AR model in time series analysis. Firstly, a new data standardization process is defined to maintain the information of damage location. Then, a new structural damage feature sensitive to structural damage is developed based on the standard deviation of AR model residual errors. To verify the proposed method, a bolted joint structure is designed and fabricated in laboratory, connection damages of structures are simulated by loosening the bolted joints. The acceleration responses of structures with bolted joints under healthy and damage cases are acquired. Finally, the SDD is performed by traditional DSF and the new DSF. The illustrated results show that the proposed method is a hybrid tool for the bolted joint damage detection with the new damage-sensitive feature. In addition, some related issues will be discussed as well.

  3. Analysis of Conserved Structural Features of Selenoprotein K | Al ...

    African Journals Online (AJOL)

    Selenium plays important roles in human health and these roles may be exerted through its presence in selenoproteins. Among the 25 selenoproteins in human is selenoprotein K (SelK) whose exact function is still unclear. Here, we investigated the conserved structural features of SelK using bioinformatics as an approach ...

  4. Integrated visual analysis of protein structures, sequences, and feature data.

    Science.gov (United States)

    Stolte, Christian; Sabir, Kenneth S; Heinrich, Julian; Hammang, Christopher J; Schafferhans, Andrea; O'Donoghue, Seán I

    2015-01-01

    To understand the molecular mechanisms that give rise to a protein's function, biologists often need to (i) find and access all related atomic-resolution 3D structures, and (ii) map sequence-based features (e.g., domains, single-nucleotide polymorphisms, post-translational modifications) onto these structures. To streamline these processes we recently developed Aquaria, a resource offering unprecedented access to protein structure information based on an all-against-all comparison of SwissProt and PDB sequences. In this work, we provide a requirements analysis for several frequently occuring tasks in molecular biology and describe how design choices in Aquaria meet these requirements. Finally, we show how the interface can be used to explore features of a protein and gain biologically meaningful insights in two case studies conducted by domain experts. The user interface design of Aquaria enables biologists to gain unprecedented access to molecular structures and simplifies the generation of insight. The tasks involved in mapping sequence features onto structures can be conducted easier and faster using Aquaria.

  5. The Chemically-Specific Structure of an Amorphous Molybdenum Germanium Alloy by Anomalous X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, H. A.

    2002-06-11

    Since its inception in the late 1970s, anomalous x-ray scattering (AXS) has been employed for chemically-specific structure determination in a wide variety of noncrystalline materials. These studies have successfully produced differential distribution functions (DDFs) which provide information about the compositionally-averaged environment of a specific atomic species in the sample. Despite the wide success in obtaining DDFs, there are very few examples of successful extraction of the fully-chemically-specific partial pair distribution functions (PPDFs), the most detailed description of an amorphous sample possible by x-ray scattering. Extracting the PPDFs is notoriously difficult since the matrix equation involved is ill-conditioned and thus extremely sensitive to errors present in the experimental quantities that enter the equation. Instead of addressing this sensitivity by modifying the data through mathematical methods, sources of error have been removed experimentally: A focusing analyzer crystal was combined with a position-sensitive linear detector to experimentally eliminate unwanted inelastic scattering intensity over most of the reciprocal space range probed. This instrumentation has been used in data collection for the extraction of PPDFs from amorphous (a)-MoGe{sub 3}. This composition arises as a phase separation endpoint in the Ge-rich region of the vapor-deposited Mo-Ge amorphous alloy system but is not present at equilibrium. Since the first Ge-rich compound in the Mo-Ge equilibrium system is MoGe{sub 2}, previous workers have speculated that perhaps a unique MoGe{sub 3} compound exists in the amorphous system. Rather than indicating a distinct MoGe{sub 3} compound with definitive local structure, however, the coordination results are more consistent with a densely-packed alloy having a wide range of solid solubility. Significant improvement in the quality and reliability of experimental PPDFs from a-MoGe{sub 3} by AXS has been achieved solely

  6. The 3-loop pure singlet heavy flavor contributions to the structure function F2(x,Q2 and the anomalous dimension

    Directory of Open Access Journals (Sweden)

    J. Ablinger

    2015-01-01

    Full Text Available The pure singlet asymptotic heavy flavor corrections to 3-loop order for the deep-inelastic scattering structure function F2(x,Q2 and the corresponding transition matrix element AQq(3,PS in the variable flavor number scheme are computed. In Mellin-N space these inclusive quantities depend on generalized harmonic sums. We also recalculate the complete 3-loop pure singlet anomalous dimension for the first time. Numerical results for the Wilson coefficients, the operator matrix element and the contribution to the structure function F2(x,Q2 are presented.

  7. Critical Features of Fragment Libraries for Protein Structure Prediction

    Science.gov (United States)

    dos Santos, Karina Baptista

    2017-01-01

    The use of fragment libraries is a popular approach among protein structure prediction methods and has proven to substantially improve the quality of predicted structures. However, some vital aspects of a fragment library that influence the accuracy of modeling a native structure remain to be determined. This study investigates some of these features. Particularly, we analyze the effect of using secondary structure prediction guiding fragments selection, different fragments sizes and the effect of structural clustering of fragments within libraries. To have a clearer view of how these factors affect protein structure prediction, we isolated the process of model building by fragment assembly from some common limitations associated with prediction methods, e.g., imprecise energy functions and optimization algorithms, by employing an exact structure-based objective function under a greedy algorithm. Our results indicate that shorter fragments reproduce the native structure more accurately than the longer. Libraries composed of multiple fragment lengths generate even better structures, where longer fragments show to be more useful at the beginning of the simulations. The use of many different fragment sizes shows little improvement when compared to predictions carried out with libraries that comprise only three different fragment sizes. Models obtained from libraries built using only sequence similarity are, on average, better than those built with a secondary structure prediction bias. However, we found that the use of secondary structure prediction allows greater reduction of the search space, which is invaluable for prediction methods. The results of this study can be critical guidelines for the use of fragment libraries in protein structure prediction. PMID:28085928

  8. Critical Features of Fragment Libraries for Protein Structure Prediction.

    Directory of Open Access Journals (Sweden)

    Raphael Trevizani

    Full Text Available The use of fragment libraries is a popular approach among protein structure prediction methods and has proven to substantially improve the quality of predicted structures. However, some vital aspects of a fragment library that influence the accuracy of modeling a native structure remain to be determined. This study investigates some of these features. Particularly, we analyze the effect of using secondary structure prediction guiding fragments selection, different fragments sizes and the effect of structural clustering of fragments within libraries. To have a clearer view of how these factors affect protein structure prediction, we isolated the process of model building by fragment assembly from some common limitations associated with prediction methods, e.g., imprecise energy functions and optimization algorithms, by employing an exact structure-based objective function under a greedy algorithm. Our results indicate that shorter fragments reproduce the native structure more accurately than the longer. Libraries composed of multiple fragment lengths generate even better structures, where longer fragments show to be more useful at the beginning of the simulations. The use of many different fragment sizes shows little improvement when compared to predictions carried out with libraries that comprise only three different fragment sizes. Models obtained from libraries built using only sequence similarity are, on average, better than those built with a secondary structure prediction bias. However, we found that the use of secondary structure prediction allows greater reduction of the search space, which is invaluable for prediction methods. The results of this study can be critical guidelines for the use of fragment libraries in protein structure prediction.

  9. Critical Features of Fragment Libraries for Protein Structure Prediction.

    Science.gov (United States)

    Trevizani, Raphael; Custódio, Fábio Lima; Dos Santos, Karina Baptista; Dardenne, Laurent Emmanuel

    2017-01-01

    The use of fragment libraries is a popular approach among protein structure prediction methods and has proven to substantially improve the quality of predicted structures. However, some vital aspects of a fragment library that influence the accuracy of modeling a native structure remain to be determined. This study investigates some of these features. Particularly, we analyze the effect of using secondary structure prediction guiding fragments selection, different fragments sizes and the effect of structural clustering of fragments within libraries. To have a clearer view of how these factors affect protein structure prediction, we isolated the process of model building by fragment assembly from some common limitations associated with prediction methods, e.g., imprecise energy functions and optimization algorithms, by employing an exact structure-based objective function under a greedy algorithm. Our results indicate that shorter fragments reproduce the native structure more accurately than the longer. Libraries composed of multiple fragment lengths generate even better structures, where longer fragments show to be more useful at the beginning of the simulations. The use of many different fragment sizes shows little improvement when compared to predictions carried out with libraries that comprise only three different fragment sizes. Models obtained from libraries built using only sequence similarity are, on average, better than those built with a secondary structure prediction bias. However, we found that the use of secondary structure prediction allows greater reduction of the search space, which is invaluable for prediction methods. The results of this study can be critical guidelines for the use of fragment libraries in protein structure prediction.

  10. Methods in the determination of partial structure factors of disordered matter by neutron and anomalous X-ray diffraction

    International Nuclear Information System (INIS)

    Suck, J.B.; Chieux, P.; Raoux, D.; Riekel, C.

    1993-01-01

    A general introduction into all possible binary correlations (nuclear-nuclear correlations, mass-mass, charge-charge, nuclear-magnetic, nuclear-electronic, etc.), is followed by methods used in connection with neutron diffraction (and also to neutron inelastic scattering) like isotopic substitution, first and second order difference methods, isomorphic substitution and anomalous neutron diffraction. Then the X-ray anomalous scattering methods used specifically in connection with synchrotron radiation are presented. For both radiation methods and results for wide angle and small angle diffraction are included. Applications of both methods to special systems and problems inherent in these combinations are discussed. Methods and results obtained by computer simulations, Reverse Monte Carlo calculations and a new regularization method used in context with an optimization of compatible data obtained with different methods on the same system, are presented. A translation kit is proposed for semantic purposes between the two domains

  11. FeatureMap3D - a tool to map protein features and sequence conservation onto homologous structures in the PDB

    DEFF Research Database (Denmark)

    Wernersson, Rasmus; Rapacki, Krzysztof; Stærfeldt, Hans Henrik

    2006-01-01

    FeatureMap3D is a web-based tool that maps protein features onto 3D structures. The user provides sequences annotated with any feature of interest, such as post-translational modifications, protease cleavage sites or exonic structure and FeatureMap3D will then search the Protein Data Bank (PDB......) for structures of homologous proteins. The results are displayed both as an annotated sequence alignment, where the user-provided annotations as well as the sequence conservation between the query and the target sequence are displayed, and also as a publication-quality image of the 3D protein structure...... with the selected features and sequence conservation enhanced. The results are also returned in a readily parsable text format as well as a PyMol (http://pymol.sourceforge.net/) script file, which allows the user to easily modify the protein structure image to suit a specific purpose. FeatureMap3D can also be used...

  12. Anomalous fast diffusion in Cu-NiFe nanolaminates.

    Energy Technology Data Exchange (ETDEWEB)

    Jankowski, Alan F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States). Energy Nanomaterials Dept.

    2017-09-01

    For this work, the decomposition of the one-dimensional composition wave in Cu-NiFe nanolaminate structures is examined using x-ray diffraction to assess the kinetics of phase decomposition. The anomalously high diffusivity value found for long-term aging at room temperature is attributed to the inherent nanostructure that features paths for short-circuit diffusion in nanolaminates as attributed to interlayer grain boundaries.

  13. Feature and Statistical Model Development in Structural Health Monitoring

    Science.gov (United States)

    Kim, Inho

    All structures suffer wear and tear because of impact, excessive load, fatigue, corrosion, etc. in addition to inherent defects during their manufacturing processes and their exposure to various environmental effects. These structural degradations are often imperceptible, but they can severely affect the structural performance of a component, thereby severely decreasing its service life. Although previous studies of Structural Health Monitoring (SHM) have revealed extensive prior knowledge on the parts of SHM processes, such as the operational evaluation, data processing, and feature extraction, few studies have been conducted from a systematical perspective, the statistical model development. The first part of this dissertation, the characteristics of inverse scattering problems, such as ill-posedness and nonlinearity, reviews ultrasonic guided wave-based structural health monitoring problems. The distinctive features and the selection of the domain analysis are investigated by analytically searching the conditions of the uniqueness solutions for ill-posedness and are validated experimentally. Based on the distinctive features, a novel wave packet tracing (WPT) method for damage localization and size quantification is presented. This method involves creating time-space representations of the guided Lamb waves (GLWs), collected at a series of locations, with a spatially dense distribution along paths at pre-selected angles with respect to the direction, normal to the direction of wave propagation. The fringe patterns due to wave dispersion, which depends on the phase velocity, are selected as the primary features that carry information, regarding the wave propagation and scattering. The following part of this dissertation presents a novel damage-localization framework, using a fully automated process. In order to construct the statistical model for autonomous damage localization deep-learning techniques, such as restricted Boltzmann machine and deep belief network

  14. Anomalous gauge theories as constrained Hamiltonian systems

    International Nuclear Information System (INIS)

    Fujiwara, T.

    1989-01-01

    Anomalous gauge theories considered as constrained systems are investigated. The effects of chiral anomaly on the canonical structure are examined first for nonlinear σ-model and later for fermionic theory. The breakdown of the Gauss law constraints and the anomalous commutators among them are studied in a systematic way. An intrinsic mass term for gauge fields makes it possible to solve the Gauss law relations as second class constraints. Dirac brackets between the time components of gauge fields are shown to involve anomalous terms. Based upon the Ward-Takahashi identities for gauge symmetry, we investigate anomalous fermionic theory within the framework of path integral approach. (orig.)

  15. Deep Convolutional Neural Networks: Structure, Feature Extraction and Training

    Directory of Open Access Journals (Sweden)

    Namatēvs Ivars

    2017-12-01

    Full Text Available Deep convolutional neural networks (CNNs are aimed at processing data that have a known network like topology. They are widely used to recognise objects in images and diagnose patterns in time series data as well as in sensor data classification. The aim of the paper is to present theoretical and practical aspects of deep CNNs in terms of convolution operation, typical layers and basic methods to be used for training and learning. Some practical applications are included for signal and image classification. Finally, the present paper describes the proposed block structure of CNN for classifying crucial features from 3D sensor data.

  16. Anomalous ionic conductivity of Sc sub 2 (WO sub 4) sub 3 mediated by structural changes at high pressures and temperatures

    CERN Document Server

    Secco, R A; Imanaka, N; Adachi, G

    2002-01-01

    The ionic conductivity of Sc sub 2 (WO sub 4) sub 3 at 400 deg. C shows a normal decrease with increase in pressure up to 2.9 GPa but then increases anomalously at pressures up to 4.3 GPa. Synchrotron in situ x-ray diffraction results show that Sc sub 2 (WO sub 4) sub 3 undergoes pressure-induced amorphization at pressures coincident with the reversal in conductivity behaviour. The loss of crystal structure at high pressure may be associated with the property of negative thermal expansion in Sc sub 2 (WO sub 4) sub 3.

  17. Anomalous X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Wendin, G.

    1979-01-01

    The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g., in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discussion of the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references.

  18. Anomalous x-ray scattering

    International Nuclear Information System (INIS)

    Wendin, G.

    1979-01-01

    The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g. in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discuss the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L 3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references

  19. Structural features of coke obtained from mixtures of various compositions

    Energy Technology Data Exchange (ETDEWEB)

    Gromova, O.B.; Syskov, K.I.; Mikhailets, S.N.; Gromov, V.E.; Sukhov, Yu.K.

    1985-11-01

    Fundamental aspects are examined for sorptional theory of coking by exposing structural features of coke obtained from charges of varying quantitative proportions of leaning (fillers) and caking (binding) components. Test samples of binding coke (fat coal) and its mixtures with fillers were studied. The samples were boiled with a mixture of xylene and colophony and then freshly spalled so that bonding coke surfaces could be prepared. Microscopic nonuniformity of substances under investigation was taken into consideration during analysis of the results. All varieties of the substance were studied in order to obtain statistically averaged characteristics. It was found that the addition of fillers to the mixture increases the size of structural globular constituents of coke. 6 references.

  20. Local Geometric Structure Feature for Dimensionality Reduction of Hyperspectral Imagery

    Directory of Open Access Journals (Sweden)

    Fulin Luo

    2017-08-01

    Full Text Available Marginal Fisher analysis (MFA exploits the margin criterion to compact the intraclass data and separate the interclass data, and it is very useful to analyze the high-dimensional data. However, MFA just considers the structure relationships of neighbor points, and it cannot effectively represent the intrinsic structure of hyperspectral imagery (HSI that possesses many homogenous areas. In this paper, we propose a new dimensionality reduction (DR method, termed local geometric structure Fisher analysis (LGSFA, for HSI classification. Firstly, LGSFA uses the intraclass neighbor points of each point to compute its reconstruction point. Then, an intrinsic graph and a penalty graph are constructed to reveal the intraclass and interclass properties of hyperspectral data. Finally, the neighbor points and corresponding intraclass reconstruction points are used to enhance the intraclass-manifold compactness and the interclass-manifold separability. LGSFA can effectively reveal the intrinsic manifold structure and obtain the discriminating features of HSI data for classification. Experiments on the Salinas, Indian Pines, and Urban data sets show that the proposed LGSFA algorithm achieves the best classification results than other state-of-the-art methods.

  1. Structural design features for commercial fusion power reactor magnet systems

    International Nuclear Information System (INIS)

    Sviatoslavsky, I.N.; Young, W.C.

    1980-01-01

    The evolution of structural design features for commercial fusion power reactor magnet systems is discussed. Changing concepts in plasma physics and impurity control, new data on radiation damage in materials and developments in the maintainability and repairability of the magnet systems are the driving influences in this evolution. Generic problems in the magnet designs are discussed for several proposed magnetic confinement system configurations, including tokamaks, tandem mirrors, the Elmo Bumpy Torus, and the reversed field theta pinch. These systems are compared on the basis of how efficiently the magnets make use of structural materials. A measure of the effectiveness of a magnet system is found by determining the ratio of net electric power output from the reactor to the stored energy in the magnetic fields produced by the magnet coils in a given system. The stored energy in the magnetic field can then be used to establish a minimum structural volume and mass by use of the virial theorem. Experience with coil types such as solenoids, toroids, Yin-Yang, etc. has established factors by which the minima must be multiplied to yield anticipated volumes and masses of realistic magnet systems. These initial, admittedly approximate, calculations allow designers to estimate early in the process the contribution of the magnet systems to the overall cost of a fusion reactor. As work progresses these estimates can be used to indicate the degree to which the designers is making effective use of the structural material. Basic rules for effective placement of structure, common to all magnet systems, are also discussed in detail. Factors are presented which make it possible to compare structural savings to the cost of researching the parameters involved in the stability of superconductors. (orig.)

  2. Structural attributes for the recognition of weak and anomalous regions in coiled-coils of myosins and other motor proteins

    Science.gov (United States)

    2012-01-01

    Background Coiled-coils are found in different proteins like transcription factors, myosin tail domain, tropomyosin, leucine zippers and kinesins. Analysis of various structures containing coiled-coils has revealed the importance of electrostatic and hydrophobic interactions. In such domains, regions of different strength of interactions need to be identified since they could be biologically relevant. Findings We have updated our coiled-coil validation webserver, now called COILCHECK+, where new features were added to efficiently identify the strength of interaction at the interface region and measure the density of charged residues and hydrophobic residues. We have examined charged residues and hydrophobic ladders, using a new algorithm called CHAHO, which is incorporated within COILCHECK + server. CHAHO permits the identification of spatial charged residue patches and the continuity of hydrophobic ladder which stabilizes and destabilizes the coiled-coil structure. Conclusions The availability of such computational tools should be useful to understand the importance of spatial clustering of charged residues and the continuity of hydrophobic residues at the interface region of coiled-coil dimers. COILCHECK + is a structure based tool to validate coiled-coil stability; it can be accessed at http://caps.ncbs.res.in/coilcheckplus. PMID:23009691

  3. Investigating the interplay between mechanisms of anomalous diffusion via fractional Brownian walks on a comb-like structure

    International Nuclear Information System (INIS)

    Ribeiro, Haroldo V; Alves, Luiz G A; Zola, Rafael S; Lenzi, Ervin K; Tateishi, Angel A

    2014-01-01

    The comb model is a simplified description for anomalous diffusion under geometric constraints. It represents particles spreading out in a two-dimensional space where the motions in the x-direction are allowed only when the y coordinate of the particle is zero. Here, we propose an extension for the comb model via Langevin-like equations driven by fractional Gaussian noises (long-range correlated). By carrying out computer simulations, we show that the correlations in the y-direction affect the diffusive behavior in the x-direction in a non-trivial fashion, resulting in a quite rich diffusive scenario characterized by usual, superdiffusive or subdiffusive scaling of second moment in the x-direction. We further show that the long-range correlations affect the probability distribution of the particle positions in the x-direction, making their tails longer when noise in the y-direction is persistent and shorter for anti-persistent noise. Our model thus combines and allows the study/analysis of the interplay between different mechanisms of anomalous diffusion (geometric constraints and long-range correlations) and may find direct applications for describing diffusion in complex systems such as living cells. (paper)

  4. Anomalous wear-out phenomena of europium-implanted light emitters based on a metal-oxide-semiconductor structure

    International Nuclear Information System (INIS)

    Rebohle, L.; Lehmann, J.; Prucnal, S.; Nazarov, A.; Tyagulskii, I.; Tyagulskii, S.; Kanjilal, A.; Voelskow, M.; Grambole, D.; Skorupa, W.; Helm, M.

    2009-01-01

    The anomalous wear-out phenomena of Eu-implanted metal-oxide-semiconductor devices were investigated. It will be shown that in contrast to other rare earth elements the electroluminescence (EL) intensity of Eu-implanted SiO 2 layers can rise under constant current injection before the known EL quenching will start. Under certain circumstances, this rise may amount up to two orders of magnitude. The EL behavior will be correlated with the microstructural and electrical properties of the devices. Transmission electron microscopy and Rutherford backscattering spectroscopy were applied to trace the development of Eu/Eu oxide clusters and the diffusion of Eu to the interfaces of the gate oxide layer. The hydrogen profile within the SiO 2 -SiON interface region was determined by nuclear reaction analysis. Current-voltage characteristics, EL decay times, and the progression of the voltage and the EL spectrum with increasing charge injection were measured to study charge and trapping phenomena in the oxide layer to reveal details of the EL excitation mechanism. A first qualitative model for the anomalous life time behavior is proposed.

  5. Design, construction and operation features of high-rise structures

    Science.gov (United States)

    Mylnik, Alexey; Mylnik, Vladimir; Zubeeva, Elena; Mukhamedzhanova, Olga

    2018-03-01

    The article considers design, construction and operation features of high-rise facilities. The analysis of various situations, that come from improper designing, construction and operation of unique facilities, is carried out. The integrated approach is suggested, when the problems of choosing acceptable constructional solutions related to the functional purpose, architectural solutions, methods of manufacturing and installation, operating conditions for unique buildings and structures are being tackled. A number of main causes for the emergency destruction of objects under construction and operation is considered. A number of measures are proposed on the basis of factor classification in order to efficiently prevent the situations, when various negative options of design loads and emergency impacts occur.

  6. The sequence, structure and evolutionary features of HOTAIR in mammals

    Directory of Open Access Journals (Sweden)

    Zhu Hao

    2011-04-01

    the full HOTAIR in mammals. Conclusions HOTAIR exists in mammals, has poorly conserved sequences and considerably conserved structures, and has evolved faster than nearby HoxC genes. Exons of HOTAIR show distinct evolutionary features, and a 239 bp domain in the 1804 bp exon6 is especially conserved. These features, together with the absence of some exons and sequences in mouse, rat and kangaroo, suggest ab initio generation of HOTAIR in marsupials. Structure prediction identifies two fragments in the 5' end exon1 and the 3' end domain B of exon6, with sequence and structure invariably occurring in various predicted structures of exon1, the domain B of exon6 and the full HOTAIR.

  7. Structure removal: An argument for feature-driven Merge

    Directory of Open Access Journals (Sweden)

    Gereon Müller

    2017-04-01

    Full Text Available Assuming that it needs to be decided at some point whether a given Merge('α','β' operation is legitimate, there are two basic options. The first possibility is that one of the two categories is equipped with an intrinsic formal property (typically encoded as a feature requiring the other one to combine with it. The second possibility is that Merge applies freely throughout, and that filters check the output representation and decide about the legitimacy of the operation. The two approaches are often extensionally equivalent. In this paper, I provide an argument for the first view that is based on the hypothesis that in addition to the Merge operation that 'builds 'structure, there is also a mirror image operation Remove that 'removes 'structure: If such an operation exists, the legitimacy of the original Merge operation cannot be checked by output filters anymore. Empirical evidence for an elementary syntactic operation Remove is drawn from four domains of German syntax: passive, applicative, restructuring, and complex prefields. This article is part of the special collection: What drives syntactic computation?

  8. Retinal structure, function, and molecular pathologic features in gyrate atrophy.

    Science.gov (United States)

    Sergouniotis, Panagiotis I; Davidson, Alice E; Lenassi, Eva; Devery, Sophie R; Moore, Anthony T; Webster, Andrew R

    2012-03-01

    To describe phenotypic variability and to report novel mutational data in patients with gyrate atrophy. Retrospective case series. Seven unrelated patients (10 to 52 years of age) with clinical and biochemical evidence of gyrate atrophy. Detailed ophthalmologic examination, fundus photography, fundus autofluorescence (FAF) imaging, spectral-domain optical coherence tomography, and microperimetry testing were performed. The coding region and intron-exon boundaries of ornithine aminotransferase (OAT) were analyzed. OAT mRNA was isolated from peripheral blood leucocytes of 1 patient and analyzed. OAT mutation status and resultant clinical, structural, and functional characteristics. Funduscopy revealed circular areas of chorioretinal atrophy, and FAF imaging showed sharply demarcated areas of increased or preserved signal in all 7 patients. Spectral-domain optical coherence tomography revealed multiple intraretinal cystic spaces and hyperreflective deposit in the ganglion cell layer of all study subjects. Round tubular, rosette-like structures located in the outer nuclear layer of the retinae of the 4 older patients were observed (termed outer retinal tubulation). Thickening was evident in the foveolae of younger patients, despite the posterior pole appearing relatively preserved. Macular function, assessed by microperimetry, was preserved over areas of normal or increased autofluorescence. However, sensitivity was reduced even in structurally intact parts of the retina. The molecular pathologic features were determined in all study subjects: 9 mutations, 4 novel, were detected in the OAT gene. OAT mRNA was isolated from blood leukocytes, and monoallelic expression of a mutated allele was demonstrated in 1 patient. Fundus autofluorescence imaging can reveal the extent of neurosensory dysfunction in gyrate atrophy patients. Macular edema is a uniform finding; the fovea is relatively thick in early stages of disease and retinal tubulation is present in advanced disease

  9. Structural Features of an OR37 Glomerulus: A Comparative Study

    Directory of Open Access Journals (Sweden)

    Anna-Maria Maier

    2017-12-01

    Full Text Available In the olfactory bulb (OB a sophisticated neuronal network mediates the primary processing of sensory information and extensive investigations over the past decades have greatly improved our understanding of the morphology and neuronal organization of the OB. However, efforts have mostly been focused on the different radial layers, typical for the OB and little attention has been paid to individual odorant receptor specific glomeruli, the first relay station of sensory information. It has been assumed that glomeruli processing odorant information out of different contextual fields might require accordingly specialized neuronal networks. In this study, we have analyzed and compared the structural features as well as cell types in the periglomerular (PG region of three odorant receptor specific glomeruli. The investigations were focused on glomeruli of the receptor type OR37A, a member of the unique OR37 subsystem, in comparison to glomeruli of OR18-2, a class I odorant receptor and OR256-17, a class II receptor. Each of the odorant receptor types is known to be activated by distinct odorants and their glomeruli are located in different regions of the bulb. We found significant differences in the size of the glomeruli as well as in the variability of the glomerulus size in individual mice, whereby the OR37A glomeruli featured a remarkably stable size. The number of cells surrounding a given glomerulus correlated strongly with its size which allowed comparative analyses of the surrounding cell types for individual glomeruli. The proportion of PG cells labeled by NeuN as well as putative GABAergic neurons labeled by GAD65 was quite similar for the different glomerulus types. However, the number of cells expressing distinct calcium-binding proteins, namely parvalbumin (PV, calbindin (CB or calretinin (CR varied significantly among the three glomerulus types. These data suggest that each odorant receptor specific glomerulus type may be surrounded by a

  10. A comparison study on feature selection of DNA structural properties for promoter prediction.

    Science.gov (United States)

    Gan, Yanglan; Guan, Jihong; Zhou, Shuigeng

    2012-01-07

    Promoter prediction is an integrant step for understanding gene regulation and annotating genomes. Traditional promoter analysis is mainly based on sequence compositional features. Recently, many kinds of structural features have been employed in promoter prediction. However, considering the high-dimensionality and overfitting problems, it is unfeasible to utilize all available features for promoter prediction. Thus it is necessary to choose some appropriate features for the prediction task. This paper conducts an extensive comparison study on feature selection of DNA structural properties for promoter prediction. Firstly, to examine whether promoters possess some special structures, we carry out a systematical comparison among the profiles of thirteen structural features on promoter and non-promoter sequences. Secondly, we investigate the correlations between these structural features and promoter sequences. Thirdly, both filter and wrapper methods are utilized to select appropriate feature subsets from thirteen different kinds of structural features for promoter prediction, and the predictive power of the selected feature subsets is evaluated. Finally, we compare the prediction performance of the feature subsets selected in this paper with nine existing promoter prediction approaches. Experimental results show that the structural features are differentially correlated to promoters. Specifically, DNA-bending stiffness, DNA denaturation and energy-related features are highly correlated with promoters. The predictive power for promoter sequences differentiates greatly among different structural features. Selecting the relevant features can significantly improve the accuracy of promoter prediction.

  11. Features of the non-collinear one-phonon anomalous light scattering controlled by elastic waves with elevated linear losses: potentials for multi-frequency parallel spectrum analysis of radio-wave signals.

    Science.gov (United States)

    Shcherbakov, Alexandre S; Arellanes, Adan Omar

    2017-12-01

    During subsequent development of the recently proposed multi-frequency parallel spectrometer for precise spectrum analysis of wideband radio-wave signals, we study potentials of new acousto-optical cells exploiting selected crystalline materials at the limits of their capabilities. Characterizing these wide-aperture cells is non-trivial due to new features inherent in the chosen regime of an advanced non-collinear one-phonon anomalous light scattering by elastic waves with significantly elevated acoustic losses. These features can be observed simpler in uniaxial, tetragonal, and trigonal crystals possessing linear acoustic attenuation. We demonstrate that formerly studied additional degree of freedom, revealed initially for multi-phonon regimes of acousto-optical interaction, can be identified within the one-phonon geometry as well and exploited for designing new cells. We clarify the role of varying the central acoustic frequency and acoustic attenuation using the identified degree of freedom. Therewith, we are strongly restricted by a linear regime of acousto-optical interaction to avoid the origin of multi-phonon processes within carrying out a multi-frequency parallel spectrum analysis of radio-wave signals. Proof-of-principle experiments confirm the developed approaches and illustrate their applicability to innovative technique for an advanced spectrum analysis of wideband radio-wave signals with the improved resolution in an extended frequency range.

  12. Unique Structural Features of Influenza Virus H15 Hemagglutinin

    Energy Technology Data Exchange (ETDEWEB)

    Tzarum, Netanel; McBride, Ryan; Nycholat, Corwin M.; Peng, Wenjie; Paulson, James C.; Wilson, Ian A. (Scripps)

    2017-04-12

    Influenza A H15 viruses are members of a subgroup (H7-H10-H15) of group 2 hemagglutinin (HA) subtypes that include H7N9 and H10N8 viruses that were isolated from humans during 2013. The isolation of avian H15 viruses is, however, quite rare and, until recently, geographically restricted to wild shorebirds and waterfowl in Australia. The HAs of H15 viruses contain an insertion in the 150-loop (loop beginning at position 150) of the receptor-binding site common to this subgroup and a unique insertion in the 260-loop compared to any other subtype. Here, we show that the H15 HA has a high preference for avian receptor analogs by glycan array analyses. The H15 HA crystal structure reveals that it is structurally closest to H7N9 HA, but the head domain of the H15 trimer is wider than all other HAs due to a tilt and opening of the HA1 subunits of the head domain. The extended 150-loop of the H15 HA retains the conserved conformation as in H7 and H10 HAs. Furthermore, the elongated 260-loop increases the exposed HA surface and can contribute to antigenic variation in H15 HAs. Since avian-origin H15 HA viruses have been shown to cause enhanced disease in mammalian models, further characterization and immune surveillance of H15 viruses are warranted.

    IMPORTANCEIn the last 2 decades, an apparent increase has been reported for cases of human infection by emerging avian influenza A virus subtypes, including H7N9 and H10N8 viruses isolated during 2013. H15 is the other member of the subgroup of influenza A virus group 2 hemagglutinins (HAs) that also include H7 and H10. H15 viruses have been restricted to Australia, but recent isolation of H15 viruses in western Siberia suggests that they could be spread more globally via the avian flyways that converge and emanate from this region. Here we report on characterization of the three-dimensional structure and receptor specificity of the H15 hemagglutinin, revealing distinct features and specificities that can

  13. Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

    International Nuclear Information System (INIS)

    Nozaki, Hiroshi; Fukano, Tatsuo; Ohta, Shingo; Seno, Yoshiki; Katagiri, Hironori; Jimbo, Kazuo

    2012-01-01

    Highlights: ► Cu 2 ZnSnS 4 thin films as a solar cell material were synthesized. ► The wavelength dependences of the diffraction intensity were measured. ► The crystal structures were clearly identified as kesterite structure for all samples. ► Crystal structure analysis revealed that the atomic compositions were Cu/(Zn + Sn) = 0.97 and Zn/Sn = 1.42 for the sample synthesized using stoichiometric amount of starting materials. - Abstract: The crystal structure of Cu 2 ZnSnS 4 (CZTS) thin films fabricated by vapor-phase sulfurization was determined using X-ray anomalous dispersion. High statistic synchrotron radiation X-ray diffraction data were collected from very small amounts of powder. By analyzing the wavelength dependencies of the diffraction peak intensities, the crystal structure was clearly identified as kesterite. Rietveld analysis revealed that the atomic composition deviated from stoichiometric composition, and the compositions were Cu/(Zn + Sn) = 0.97, and Zn/Sn = 1.42.

  14. Anomalous lattice compression and magnetic ordering in CuO at high pressures: A structural study and first-principles calculations

    Science.gov (United States)

    Kozlenko, D. P.; DruŻbicki, K.; Kichanov, S. E.; Lukin, E. V.; Liermann, H.-P.; Glazyrin, K. V.; Savenko, B. N.

    2017-02-01

    The structural and magnetic properties of multiferroic CuO have been studied by means of neutron and x-ray powder diffraction at pressures up to 11 and 38 GPa, respectively, and by first-principles theoretical calculations. Anomalous lattice compression is observed, with enlargement of the lattice parameter a , reaching a maximum at P = 13 GPa , followed by its reduction at higher pressures. The lattice distortion of the monoclinic structure at high pressures is accompanied by a progressive change of the oxygen coordination around Cu atoms from the square fourfold towards the octahedral sixfold coordination. The pressure-induced evolution of the structural properties and electronic structure of CuO was successfully elucidated in the framework of full-electronic density functional theory calculations with range-separated HSE06, and meta-generalized gradient approximation hybrid M06 functionals. The antiferromagnetic (AFM) ground state with a propagation vector q = (0.5 , 0 , -0.5 ) remains stable in the studied pressure range. From the obtained structural parameters, the pressure dependencies of the principal superexchange magnetic interactions were analyzed, and the pressure behavior of the Néel temperature as well as the magnetic transition temperature from the intermediate incommensurate AFM multiferroic state to the commensurate AFM ground state were evaluated. The estimated upper limit of the Néel temperature at P = 38 GPa is about 260 K, not supporting the previously predicted existence of the multiferroic phase at room temperature and high pressure.

  15. Cambridge Structural Database as a tool for studies of general structural features of organic molecular crystals

    International Nuclear Information System (INIS)

    Kuleshova, Lyudmila N; Antipin, Mikhail Yu

    1999-01-01

    The review surveys and generalises data on the use of the Cambridge Structural Database (CSD) for studying and revealing general structural features of organic molecular crystals. It is demonstrated that software and facilities of the CSD allow one to test the applicability of a number of known concepts of organic crystal chemistry (the principle of close packing, the frequency of occurrence of space groups, the preferred formation of centrosymmetrical molecular crystals, etc.) on the basis of abundant statistical data. Examples of the use of the Cambridge Structural Database in engineering of molecular crystals and in the systematic search for compounds with specified properties are given. The bibliography includes 122 references.

  16. Effect of structural features on enzyme digestibility of corn stover.

    Science.gov (United States)

    Kim, Sehoon; Holtzapple, Mark T

    2006-03-01

    Corn stover was pretreated with excess calcium hydroxide (0.5 g Ca(OH)2/g raw biomass) in non-oxidative and oxidative conditions at 25, 35, 45, and 55 degrees C. The enzymatic digestibility of lime-treated corn stover was affected by the change of structural features (acetylation, lignification, and crystallization) resulting from the treatment. Extensive delignification required oxidative treatment and additional consumption of lime (up to 0.17 g Ca(OH)2/g biomass). Deacetylation reached a plateau within 1 week and there were no significant differences between non-oxidative and oxidative conditions at 55 degrees C; both conditions removed approximately 90% of the acetyl groups in 1 week at all temperatures studied. Delignification highly depended on temperature and the presence of oxygen. Lignin and hemicellulose were selectively removed (or solubilized), but cellulose was not affected by lime pretreatment in mild temperatures (25-55 degrees C), even though corn stover was contacted with alkali for a long time, 16 weeks. The degree of crystallinity slightly increased from 43% to 60% with delignification because amorphous components (lignin, hemicellulose) were removed. However, the increased crystallinity did not negatively affect the 3-d sugar yield of enzymatic hydrolysis. Oxidative lime pretreatment lowered the acetyl and lignin contents to obtain high digestibility, regardless of crystallinity. The non-linear models for 3-d hydrolysis yields of glucan (Y(g)), xylan (Y(x)), and holocellulose (Y(gx)) were empirically established as a function of the residual lignin (L) for the corn stover pretreated with lime and air.

  17. Portal vein branching order helps in the recognition of anomalous right-sided round ligament: common features and variations in portal vein anatomy.

    Science.gov (United States)

    Yamashita, Rikiya; Yamaoka, Toshihide; Nishitai, Ryuta; Isoda, Hiroyoshi; Taura, Kojiro; Arizono, Shigeki; Furuta, Akihiro; Ohno, Tsuyoshi; Ono, Ayako; Togashi, Kaori

    2017-07-01

    This study aimed to evaluate the common features and variations of portal vein anatomy in right-sided round ligament (RSRL), which can help propose a method to detect and diagnose this anomaly. In this retrospective study of 14 patients with RSRL, the branching order of the portal tree was analyzed, with special focus on the relationship between the dorsal branch of the right anterior segmental portal vein (P A-D ) and the lateral segmental portal vein (P LL ), to determine the common features. The configuration of the portal vein from the main portal trunk to the right umbilical portion (RUP), the inclination of the RUP, and the number and thickness of the ramifications branching from the right anterior segmental portal vein (P A ) were evaluated for variations. In all subjects, the diverging point of the P A-D was constantly distal to that of the P LL . The portal vein configuration was I- and Z-shaped in nine and five subjects, respectively. The RUP was tilted to the right in all subjects. In Z-shaped subjects, the portal trunk between the branching point of the right posterior segmental portal vein and that of the P LL was tilted to the left in one subject and was almost parallel to the vertical plane in four subjects. Multiple ramifications were radially distributed from the P A in eight subjects, whereas one predominant P A-D branched from the P A in six subjects. Based on the diverging points of the P A-D and P LL , we proposed a three-step method for the detection and diagnosis of RSRL.

  18. Anomalous top magnetic couplings

    Indian Academy of Sciences (India)

    2012-11-09

    Nov 9, 2012 ... Corresponding author. E-mail: remartinezm@unal.edu.co. Abstract. The real and imaginary parts of the one-loop electroweak contributions to the left and right tensorial anomalous couplings of the tbW vertex in the Standard Model (SM) are computed. Keywords. Top; anomalous. PACS Nos 14.65.Ha; 12.15 ...

  19. Degree of contribution (DoC) feature selection algorithm for structural brain MRI volumetric features in depression detection.

    Science.gov (United States)

    Kipli, Kuryati; Kouzani, Abbas Z

    2015-07-01

    Accurate detection of depression at an individual level using structural magnetic resonance imaging (sMRI) remains a challenge. Brain volumetric changes at a structural level appear to have importance in depression biomarkers studies. An automated algorithm is developed to select brain sMRI volumetric features for the detection of depression. A feature selection (FS) algorithm called degree of contribution (DoC) is developed for selection of sMRI volumetric features. This algorithm uses an ensemble approach to determine the degree of contribution in detection of major depressive disorder. The DoC is the score of feature importance used for feature ranking. The algorithm involves four stages: feature ranking, subset generation, subset evaluation, and DoC analysis. The performance of DoC is evaluated on the Duke University Multi-site Imaging Research in the Analysis of Depression sMRI dataset. The dataset consists of 115 brain sMRI scans of 88 healthy controls and 27 depressed subjects. Forty-four sMRI volumetric features are used in the evaluation. The DoC score of forty-four features was determined as the accuracy threshold (Acc_Thresh) was varied. The DoC performance was compared with that of four existing FS algorithms. At all defined Acc_Threshs, DoC outperformed the four examined FS algorithms for the average classification score and the maximum classification score. DoC has a good ability to generate reduced-size subsets of important features that could yield high classification accuracy. Based on the DoC score, the most discriminant volumetric features are those from the left-brain region.

  20. Anomalous dispersion enhanced Cerenkov phase-matching

    Energy Technology Data Exchange (ETDEWEB)

    Kowalczyk, T.C.; Singer, K.D. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Physics; Cahill, P.A. [Sandia National Labs., Albuquerque, NM (United States)

    1993-11-01

    The authors report on a scheme for phase-matching second harmonic generation in polymer waveguides based on the use of anomalous dispersion to optimize Cerenkov phase matching. They have used the theoretical results of Hashizume et al. and Onda and Ito to design an optimum structure for phase-matched conversion. They have found that the use of anomalous dispersion in the design results in a 100-fold enhancement in the calculated conversion efficiency. This technique also overcomes the limitation of anomalous dispersion phase-matching which results from absorption at the second harmonic. Experiments are in progress to demonstrate these results.

  1. A comparison of the merits of isotopic substitution in neutron small-angle scattering and anomalous X-ray scattering for the evaluation of partial structure functions in a ternary alloy

    International Nuclear Information System (INIS)

    Simon, J.P.; Grenoble-1 Univ., 38; Lyon, O.; Paris-11 Univ., 91 - Orsay; Fontaine, D. de

    1985-01-01

    Solute partitioning during decomposition of a ternary alloy may be evaluated through the inversion of a system of linear equations, obtained by performing at least three independent small-angle scattering experiments. The merits of neutron scattering (with isotopic contrast) and of anomalous X-ray scattering (near the absorption edges) are compared. It appears that neutron scattering, although having good contrast, is not suited to these studies since slight structural differences between the three samples may lead to erroneous results. On the other hand, the use of the same sample in anomalous scattering avoids this problem, but with the drawback of a more ill-conditioned system. Nevertheless, the possibility of performing more than three anomalous experiments may improve the results and a new analysis of data is proposed. (orig.)

  2. Features for Exploiting Black-Box Optimization Problem Structure

    DEFF Research Database (Denmark)

    Tierney, Kevin; Malitsky, Yuri; Abell, Tinus

    2013-01-01

    Black-box optimization (BBO) problems arise in numerous scientic and engineering applications and are characterized by compu- tationally intensive objective functions, which severely limit the number of evaluations that can be performed. We present a robust set of features that analyze the tness...... landscape of BBO problems and show how an algorithm portfolio approach can exploit these general, problem indepen- dent features and outperform the utilization of any single minimization search strategy. We test our methodology on data from the GECCO Workshop on BBO Benchmarking 2012, which contains 21...

  3. An application of fractional calculus to anomalous diffusion and imaging in inhomogeneous media

    Science.gov (United States)

    Buonocore, Salvatore

    capture the non-local nature of the underlying physics. The numerical analysis presented in this work shows a very distinctive feature of this anomalous mechanism consisting in the transition from Gaussian to heavy-tailed distributions. The unique properties shown by fractional-order models in describing anomalous diffusion phenomena in complex physical systems also suggest their application to inverse problems for tomographic imaging in inhomogeneous and scattering media. In this thesis we consider an application to thermal tomography approach where the heat diffusion in an inhomogeneous medium is described by a fractional differential model. The integration of fractional models in classical tomographic methods, may lead to significant improvements in the sensitivity accuracy and resolution of the reconstruction procedure. These characteristics may be particularly useful in those applications requiring higher level of localized information on the internal structure of the medium investigated.

  4. Neutron diffraction analysis of materials featuring the perovskite structure

    International Nuclear Information System (INIS)

    Vratislav, S.

    1993-01-01

    The author's achievements in the title field are summarized and discussed. The dissertation is divided into 2 basic sections: state of the art in neutron diffraction of perovskite structure materials (the perovskite structure and its modifications, characterization of high-temperature superconductor structures, perovskites with magnetic ions, neutron diffraction in materials science), and experimental results concerning the structure of high-temperature superconductors (the Y-Ba-Cu-O system and the Bi-Sr-Ca-Cu-O system) and magnetic structures (the Pr-Ca-Mn-O system and the Pr-Sr-Mn-O system). Reprints of the author's relevant publications are included. (P.A.)

  5. Process Features in Writing: Internal Structure and Incremental Value over Product Features. Research Report. ETS RR-15-27

    Science.gov (United States)

    Zhang, Mo; Deane, Paul

    2015-01-01

    In educational measurement contexts, essays have been evaluated and formative feedback has been given based on the end product. In this study, we used a large sample collected from middle school students in the United States to investigate the factor structure of the writing process features gathered from keystroke logs and the association of that…

  6. 108 Generic Structure Potential Analysis of Feature Articles in ...

    African Journals Online (AJOL)

    industry (Steensen, 2009). Feature articles are descriptive and reflective writing about .... immediately. It is like a topic sentence that summarises the content of the article in a concise fashion. It shows ... changing times in the aviation industry is taking a toll on his career, as he certainly never had the slightest premonition that ...

  7. Facial features matching using a virtual structuring element

    NARCIS (Netherlands)

    Valenti, R.; Sebe, N.; Gevers, T.

    2008-01-01

    Face analysis in a real-world environment is a complex task as it should deal with challenging problems such as pose variations, illumination changes and complex backgrounds. The use of active appearance models for facial features detection is often successful in restricted environments, but the

  8. Chemical Structure Identification in Metabolomics: Computational Modeling of Experimental Features

    Directory of Open Access Journals (Sweden)

    Lochana C Menikarachchi

    2013-02-01

    Full Text Available The identification of compounds in complex mixtures remains challenging despite recent advances in analytical techniques. At present, no single method can detect and quantify the vast array of compounds that might be of potential interest in metabolomics studies. High performance liquid chromatography/mass spectrometry (HPLC/MS is often considered the analytical method of choice for analysis of biofluids. The positive identification of an unknown involves matching at least two orthogonal HPLC/MS measurements (exact mass, retention index, drift time etc. against an authentic standard. However, due to the limited availability of authentic standards, an alternative approach involves matching known and measured features of the unknown compound with computationally predicted features for a set of candidate compounds downloaded from a chemical database. Computationally predicted features include retention index, ECOM50 (energy required to decompose 50% of a selected precursor ion in a collision induced dissociation cell, drift time, whether the unknown compound is biological or synthetic and a collision induced dissociation (CID spectrum. Computational predictions are used to filter the initial “bin” of candidate compounds. The final output is a ranked list of candidates that best match the known and measured features. In this mini review, we discuss cheminformatics methods underlying this database search-filter identification approach.

  9. Effect of pore structure on anomalous behaviour of the lithium intercalation into porous V2O5 film electrode using fractal geometry concept

    International Nuclear Information System (INIS)

    Jung, Kyu-Nam; Pyun, Su-Il

    2006-01-01

    The effect of pore structure on anomalous behaviour of the lithium intercalation into porous V 2 O 5 film electrode has been investigated in terms of fractal geometry by employing ac-impedance spectroscopy combined with N 2 gas adsorption method and atomic force microscopy (AFM). For this purpose, porous V 2 O 5 film electrodes with different pore structures were prepared by the polymer surfactant templating method. From the analysis of N 2 gas adsorption isotherms and the triangulation analysis of AFM images, it was found that porous V 2 O 5 surfaces exhibited self-similar scaling properties with different fractal dimensions depending upon amount of the polymer surfactant in solution and the spatial cut-off ranges. All the ac-impedance spectra measured on porous V 2 O 5 film electrodes showed the non-ideal behaviour of the charge-transfer reaction and the diffusion reaction, which resulted from the interfacial capacitance dispersion and the frequency dispersion of the diffusion impedance, respectively. From the comparison between the surface fractal dimensions by using N 2 gas adsorption method and AFM, and the analysis of ac-impedance spectra by employing a constant phase element (CPE), it is experimentally confirmed that the lithium intercalation into porous V 2 O 5 film electrode is crucially influenced by the pore surface irregularity and the film surface irregularity

  10. Long-range structure of Cu(InxGa1-x)3Se5: A complementary neutron and anomalous x-ray diffraction study

    Science.gov (United States)

    Lehmann, S.; Marrón, D. fürtes; León, M.; Feyerherm, R.; Dudzik, E.; Friedrich, E. J.; Tovar, M.; Tomm, Y.; Wolf, C.; Schorr, S.; Schedel-Niedrig, Th.; Lux-Steiner, M. Ch.; Merino, J. M.

    2011-01-01

    Distinguishing the scattering contributions of isoelectronic atomic species by means of conventional x-ray- and/or electron diffraction techniques is a difficult task. Such a problem occurs when determining the crystal structure of compounds containing different types of atoms with equal number of electrons. We propose a new structural model of Cu(InxGa1-x)3Se5 which is valid for the entire compositional range of the CuIn3Se5-CuGa3Se5 solid solution. Our model is based on neutron and anomalous x-ray diffraction experiments. These complementary techniques allow the separation of scattering contributions of the isoelectronic species Cu+ and Ga3+, contributing nearly identically in monoenergetic x-ray diffraction experiments. We have found that CuIII3Se5 (III=In,Ga) in its room temperature near-equilibrium modification exhibits a modified stannite structure (space group I4¯2m). Different occupation factors of the species involved, Cu+, In3+, Ga3+, and vacancies have been found at three different cationic positions of the structure (Wyckoff sites 2a, 2b, and 4d) depending on the composition of the compound. Significantly, Cu+ does not occupy the 2b site for the In-free compound, but does for the In-containing case. Structural parameters, including lattice constants, tetragonal distortions, and occupation factors are given for samples covering the entire range of the CuIn3Se5-CuGa3Se5 solid solution. At the light of the result, the denotation of Cu-poor 1:3:5 compounds as chalcopyrite-related materials is only valid in reference to their composition.

  11. Anomalous behaviour of periodic domain structure in Gd-doped LiNbO{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Palatnikov, M [Institute of Chemistry, Kola Science Centre RAS, Apatity, Murmansk Region (Russian Federation); Sidorov, N [Institute of Chemistry, Kola Science Centre RAS, Apatity, Murmansk Region (Russian Federation); Bormanis, K [Institute of Solid State Physics, University of Latvia, Riga (Latvia); Smith, P G R [University of Southampton, Optoelectronic Research Centre (United Kingdom)

    2007-12-15

    Atomic force microscopy studies of etching patterns, stability of regular domain structure, and anomalies of electrical characteristics in the 300-385 K range of a series of Gddoped lithium niobate single crystals grown under equal conditions are reported.

  12. Structural and Molecular Modeling Features of P2X Receptors

    Directory of Open Access Journals (Sweden)

    Luiz Anastacio Alves

    2014-03-01

    Full Text Available Currently, adenosine 5'-triphosphate (ATP is recognized as the extracellular messenger that acts through P2 receptors. P2 receptors are divided into two subtypes: P2Y metabotropic receptors and P2X ionotropic receptors, both of which are found in virtually all mammalian cell types studied. Due to the difficulty in studying membrane protein structures by X-ray crystallography or NMR techniques, there is little information about these structures available in the literature. Two structures of the P2X4 receptor in truncated form have been solved by crystallography. Molecular modeling has proven to be an excellent tool for studying ionotropic receptors. Recently, modeling studies carried out on P2X receptors have advanced our knowledge of the P2X receptor structure-function relationships. This review presents a brief history of ion channel structural studies and shows how modeling approaches can be used to address relevant questions about P2X receptors.

  13. Anomalous Hall effect

    Science.gov (United States)

    Nagaosa, Naoto; Sinova, Jairo; Onoda, Shigeki; MacDonald, A. H.; Ong, N. P.

    2010-04-01

    The anomalous Hall effect (AHE) occurs in solids with broken time-reversal symmetry, typically in a ferromagnetic phase, as a consequence of spin-orbit coupling. Experimental and theoretical studies of the AHE are reviewed, focusing on recent developments that have provided a more complete framework for understanding this subtle phenomenon and have, in many instances, replaced controversy by clarity. Synergy between experimental and theoretical works, both playing a crucial role, has been at the heart of these advances. On the theoretical front, the adoption of the Berry-phase concepts has established a link between the AHE and the topological nature of the Hall currents. On the experimental front, new experimental studies of the AHE in transition metals, transition-metal oxides, spinels, pyrochlores, and metallic dilute magnetic semiconductors have established systematic trends. These two developments, in concert with first-principles electronic structure calculations, strongly favor the dominance of an intrinsic Berry-phase-related AHE mechanism in metallic ferromagnets with moderate conductivity. The intrinsic AHE can be expressed in terms of the Berry-phase curvatures and it is therefore an intrinsic quantum-mechanical property of a perfect crystal. An extrinsic mechanism, skew scattering from disorder, tends to dominate the AHE in highly conductive ferromagnets. The full modern semiclassical treatment of the AHE is reviewed which incorporates an anomalous contribution to wave-packet group velocity due to momentum-space Berry curvatures and correctly combines the roles of intrinsic and extrinsic (skew-scattering and side-jump) scattering-related mechanisms. In addition, more rigorous quantum-mechanical treatments based on the Kubo and Keldysh formalisms are reviewed, taking into account multiband effects, and demonstrate the equivalence of all three linear response theories in the metallic regime. Building on results from recent experiment and theory, a

  14. Structural features based genome-wide characterization and prediction of nucleosome organization

    Directory of Open Access Journals (Sweden)

    Gan Yanglan

    2012-03-01

    Full Text Available Abstract Background Nucleosome distribution along chromatin dictates genomic DNA accessibility and thus profoundly influences gene expression. However, the underlying mechanism of nucleosome formation remains elusive. Here, taking a structural perspective, we systematically explored nucleosome formation potential of genomic sequences and the effect on chromatin organization and gene expression in S. cerevisiae. Results We analyzed twelve structural features related to flexibility, curvature and energy of DNA sequences. The results showed that some structural features such as DNA denaturation, DNA-bending stiffness, Stacking energy, Z-DNA, Propeller twist and free energy, were highly correlated with in vitro and in vivo nucleosome occupancy. Specifically, they can be classified into two classes, one positively and the other negatively correlated with nucleosome occupancy. These two kinds of structural features facilitated nucleosome binding in centromere regions and repressed nucleosome formation in the promoter regions of protein-coding genes to mediate transcriptional regulation. Based on these analyses, we integrated all twelve structural features in a model to predict more accurately nucleosome occupancy in vivo than the existing methods that mainly depend on sequence compositional features. Furthermore, we developed a novel approach, named DLaNe, that located nucleosomes by detecting peaks of structural profiles, and built a meta predictor to integrate information from different structural features. As a comparison, we also constructed a hidden Markov model (HMM to locate nucleosomes based on the profiles of these structural features. The result showed that the meta DLaNe and HMM-based method performed better than the existing methods, demonstrating the power of these structural features in predicting nucleosome positions. Conclusions Our analysis revealed that DNA structures significantly contribute to nucleosome organization and influence

  15. Proceedings of a one-week course on exploiting anomalous scattering in macromolecular structure determination (EMBO'07)

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, M.S.; Shepard, W.; Dauter, Z.; Leslie, A.; Diederichs, K.; Evans, G.; Svensson, O.; Schneider, T.; Bricogne, G.; Dauter, Z.; Flensburg, C.; Terwilliger, T.; Lamzin, V.; Leslie, A.; Kabsch, W.; Flensburg, C.; Terwilliger, T.; Lamzin, V.; Read, R.; Panjikar, S.; Pannu, N.S.; Dauter, Z.; Weiss, M.S.; McSweeney, S

    2007-07-01

    This course, which was directed to young scientists, illustrated both theoretical and practical aspects of macromolecular crystal structure solution using synchrotron radiation. Some software dedicated to data collection, processing and analysis were presented. This document gathers only the slides of the presentations.

  16. Observation of Anomalous Properties associated with the Low Temperature Structural Distortion in β-FeSe and Related Superconductorsa

    Directory of Open Access Journals (Sweden)

    Wu M. K.

    2012-03-01

    Full Text Available The discovery of Superconductivity in the tetragonal phase FeSe provides a unique platform for the detailed investigation of the correlation between the physical properties and crystal structure to better understand the possible origin of superconductivity in the new iron-based superconductors. We have carried out a series of properties characterizations by measuring magnetic susceptibility, Raman, NMR and femtosecond spectroscopy on single crystals and epitaxial thin films of the FeSe and Te-doped Fe(SeTe samples. Our results show clearly the presence of anomalies in all the characterized properties at the temperature where a structural distortion from tetragonal to orthorhombic (or monoclinic appears for all superconducting samples, but not in the non-superconducting ones. This structural distortion was observed not accompanied by a magnetic ordering as commonly occurs in the parent compounds of FeAs-based superconductors. All the observations suggest that the low temperature structural distortion is essential for the occurrence of superconductivity in the FeSe and related compounds. Details of the experimental results will be presented and discussed.

  17. Proceedings of a one-week course on exploiting anomalous scattering in macromolecular structure determination (EMBO'07)

    International Nuclear Information System (INIS)

    Weiss, M.S.; Shepard, W.; Dauter, Z.; Leslie, A.; Diederichs, K.; Evans, G.; Svensson, O.; Schneider, T.; Bricogne, G.; Dauter, Z.; Flensburg, C.; Terwilliger, T.; Lamzin, V.; Leslie, A.; Kabsch, W.; Flensburg, C.; Terwilliger, T.; Lamzin, V.; Read, R.; Panjikar, S.; Pannu, N.S.; Dauter, Z.; Weiss, M.S.; McSweeney, S.

    2007-01-01

    This course, which was directed to young scientists, illustrated both theoretical and practical aspects of macromolecular crystal structure solution using synchrotron radiation. Some software dedicated to data collection, processing and analysis were presented. This document gathers only the slides of the presentations

  18. Anomalous structural evolution and liquid fragility signatures in Cu–Zr and Cu–Hf liquids and glasses

    International Nuclear Information System (INIS)

    Mauro, N.A.; Vogt, Adam J.; Johnson, Mark L.; Bendert, James C.; Soklaski, Ryan; Yang, Li; Kelton, K.F.

    2013-01-01

    The results of high energy X-ray scattering studies of equilibrium and supercooled Cu 100−x Zr x (x = 46 and 54) and Cu x Hf 100−x (x = 55 and 60.8) liquids and the corresponding glasses are presented. The liquid data were obtained in a containerless environment using the beamline electrostatic levitation (BESL) technique. The total structure factor and total pair correlation functions were measured as a function of temperature for the liquids, and for the glasses at room temperature. A developing asymmetry in the peak of the first coordination shell in the total pair correlation function suggests chemical ordering in the liquids with cooling. This asymmetry takes the form of two prominent peaks, suggesting two prominent ordering length scales. When the magnitudes of these peaks are extrapolated to the glass transition temperature a discontinuity is observed, indicating that an abrupt increase in the magnitude is required to match the observed peak heights in the glass. This suggests that the structure of the supercooled liquid orders more rapidly near the glass transition temperature, a conclusion that is supported by molecular dynamics simulations. This observed structural evolution of the liquid indicates that the concept of fragility, typically defined from the behavior of viscosity with temperature, has a measurable structural signature as well, which can be observed in X-ray diffraction studies

  19. Bottle-Neck Feature Extraction Structures for Multilingual Training and Porting (Pub Version, Open Access)

    Science.gov (United States)

    2016-05-03

    resourced Languages, SLTU 2016, 9-12 May 2016, Yogyakarta, Indonesia Bottle-Neck Feature Extraction Structures for Multilingual Training and Porting...SBN) feature extraction is a crucial part of modern automatic speech recognition (ASR) systems. The SBN network traditionally contains a hidden...2016. Keywords: DNN topology; Stacked Bottle-Neck; feature extraction ; multilingual training; system porting 1. Introduction One of the recent

  20. An automated approach to network features of protein structure ensembles

    Science.gov (United States)

    Bhattacharyya, Moitrayee; Bhat, Chanda R; Vishveshwara, Saraswathi

    2013-01-01

    Network theory applied to protein structures provides insights into numerous problems of biological relevance. The explosion in structural data available from PDB and simulations establishes a need to introduce a standalone-efficient program that assembles network concepts/parameters under one hood in an automated manner. Herein, we discuss the development/application of an exhaustive, user-friendly, standalone program package named PSN-Ensemble, which can handle structural ensembles generated through molecular dynamics (MD) simulation/NMR studies or from multiple X-ray structures. The novelty in network construction lies in the explicit consideration of side-chain interactions among amino acids. The program evaluates network parameters dealing with topological organization and long-range allosteric communication. The introduction of a flexible weighing scheme in terms of residue pairwise cross-correlation/interaction energy in PSN-Ensemble brings in dynamical/chemical knowledge into the network representation. Also, the results are mapped on a graphical display of the structure, allowing an easy access of network analysis to a general biological community. The potential of PSN-Ensemble toward examining structural ensemble is exemplified using MD trajectories of an ubiquitin-conjugating enzyme (UbcH5b). Furthermore, insights derived from network parameters evaluated using PSN-Ensemble for single-static structures of active/inactive states of β2-adrenergic receptor and the ternary tRNA complexes of tyrosyl tRNA synthetases (from organisms across kingdoms) are discussed. PSN-Ensemble is freely available from http://vishgraph.mbu.iisc.ernet.in/PSN-Ensemble/psn_index.html. PMID:23934896

  1. Structural Features and Healthy Properties of Polysaccharides Occurring in Mushrooms

    Directory of Open Access Journals (Sweden)

    Eva Guillamón

    2012-12-01

    Full Text Available Polysaccharides from mushrooms have attracted a great deal of attention due to the many healthy benefits they have demonstrated, such as immunomodulation, anticancer activity, prevention and treatment of cardiovascular diseases, antiviral and antimicrobial effects, among others. Isolation and purification of polysaccharides commonly involve several steps, and different techniques are actually available in order to increase extraction yield and purity. Studies have demonstrated that the molecular structure and arrangement significantly influence the biological activity; therefore, there is a wide range of analytical techniques for the elucidation of chemical structures. Different polysaccharides have been isolated from mushrooms, most of them consisting of β-linked glucans, such as lentinan from Lentinus edodes, pleuran from Pleurotus species, schizophyllan from Schizophyllum commune, calocyban from Calocybe indica, or ganoderan and ganopoly from Ganoderma lucidum. This article reviews the main methods of polysaccharide isolation and structural characterization, as well as some of the most important polysaccharides isolated from mushrooms and the healthy benefits they provide.

  2. Anomalous Anticipatory Responses in Networked Random Data

    International Nuclear Information System (INIS)

    Nelson, Roger D.; Bancel, Peter A.

    2006-01-01

    We examine an 8-year archive of synchronized, parallel time series of random data from a world spanning network of physical random event generators (REGs). The archive is a publicly accessible matrix of normally distributed 200-bit sums recorded at 1 Hz which extends from August 1998 to the present. The primary question is whether these data show non-random structure associated with major events such as natural or man-made disasters, terrible accidents, or grand celebrations. Secondarily, we examine the time course of apparently correlated responses. Statistical analyses of the data reveal consistent evidence that events which strongly affect people engender small but significant effects. These include suggestions of anticipatory responses in some cases, leading to a series of specialized analyses to assess possible non-random structure preceding precisely timed events. A focused examination of data collected around the time of earthquakes with Richter magnitude 6 and greater reveals non-random structure with a number of intriguing, potentially important features. Anomalous effects in the REG data are seen only when the corresponding earthquakes occur in populated areas. No structure is found if they occur in the oceans. We infer that an important contributor to the effect is the relevance of the earthquake to humans. Epoch averaging reveals evidence for changes in the data some hours prior to the main temblor, suggestive of reverse causation

  3. A comparison study on feature selection of DNA structural properties for promoter prediction

    OpenAIRE

    Gan, Yanglan; Guan, Jihong; Zhou, Shuigeng

    2012-01-01

    Abstract Background Promoter prediction is an integrant step for understanding gene regulation and annotating genomes. Traditional promoter analysis is mainly based on sequence compositional features. Recently, many kinds of structural features have been employed in promoter prediction. However, considering the high-dimensionality and overfitting problems, it is unfeasible to utilize all available features for promoter prediction. Thus it is necessary to choose some appropriate features for t...

  4. Unusual Features of Crystal Structures of Some Simple Copper Compounds

    Science.gov (United States)

    Douglas, Bodie

    2009-01-01

    Some simple copper compounds have unusual crystal structures. Cu[subscript 3]N is cubic with N atoms at centers of octahedra formed by 6 Cu atoms. Cu[subscript 2]O (cuprite) is also cubic; O atoms are in tetrahedra formed by 4 Cu atoms. These tetrahedra are linked by sharing vertices forming two independent networks without linkages between them.…

  5. Ultrasonic and structural features of some borosilicate glasses ...

    Indian Academy of Sciences (India)

    Therefore, the glass structure becomes contractedand compacted, which decreases its molar volume and increases its rigidity. This concept was asserted from the increase in the ultrasonic velocity, Debye temperature and elastic moduli with the increase of SiO2 content. The present compositional dependence of the elastic ...

  6. Ultrasonic and structural features of some borosilicate glasses ...

    Indian Academy of Sciences (India)

    ... was prepared and studied by Fourier transform infrared spectroscopy, density and ultrasonic techniques to debate the issue of the role of SiO2 in the structureof lead alkali borate glasses. The results indicate that SiO2 generates an abundance of bridging oxygen atoms, [BO 4 ] and [SiO 4 ] structural units and changes the ...

  7. Band structure features of nonlinear optical yttrium aluminium borate crystal

    Czech Academy of Sciences Publication Activity Database

    Reshak, Ali H; Auluck, S.; Majchrowski, A.; Kityk, I. V.

    2008-01-01

    Roč. 10, č. 10 (2008), s. 1445-1448 ISSN 1293-2558 Institutional research plan: CEZ:AV0Z60870520 Keywords : Electronic structure * DFF * FPLAPW * LDA Subject RIV: BO - Biophysics Impact factor: 1.742, year: 2008

  8. Concordance of visual and structural features between siblings with albinism.

    Science.gov (United States)

    Heinmiller, Laura J; Holleschau, Ann; Summers, C Gail

    2016-02-01

    To evaluate similarities and differences in visual function and ocular structure between siblings with albinism. The medical records of all siblings diagnosed with albinism were retrospectively reviewed. Comparisons were made using examination at oldest age for younger sibling and examination closest to that age for older siblings. A total of 111 patients from 54 families were studied. Mean age was 12.9 years (range, 2 months to 44.2 years). Mean difference in ages between sibling pair examinations was 11.5 months (range, 0-87 months). Of 45 families, best-corrected visual acuity was equal in 9 (20%), within 1/2 octave in 9 (20%), >1/2 but albinism should be counseled with due caution because visual function is often disparate despite similar structural findings. Copyright © 2016 American Association for Pediatric Ophthalmology and Strabismus. Published by Elsevier Inc. All rights reserved.

  9. Structural features of glycan recognition among viral pathogens.

    Science.gov (United States)

    Shanker, Sreejesh; Hu, Liya; Ramani, Sasirekha; Atmar, Robert L; Estes, Mary K; Venkataram Prasad, B V

    2017-06-01

    Recognition and binding to host glycans present on cellular surfaces is an initial and critical step in viral entry. Diverse families of host glycans such as histo-blood group antigens, sialoglycans and glycosaminoglycans are recognized by viruses. Glycan binding determines virus-host specificity, tissue tropism, pathogenesis and potential for interspecies transmission. Viruses including noroviruses, rotaviruses, enteroviruses, influenza, and papillomaviruses have evolved novel strategies to bind specific glycans often in a strain-specific manner. Structural studies have been instrumental in elucidating the molecular determinants of these virus-glycan interactions, aiding in developing vaccines and antivirals targeting this key interaction. Our review focuses on these key structural aspects of virus-glycan interactions, particularly highlighting the different strain-specific strategies employed by viruses to bind host glycans. Copyright © 2017. Published by Elsevier Ltd.

  10. The Structural Features of Substantive-Nominative Proposemes

    Directory of Open Access Journals (Sweden)

    Елена Александровна Петрова

    2015-12-01

    Full Text Available The article is devoted to to the mental representation of grammatical structures, namely to the ‎structural analysis analysis of substantive-nominative proposemes that is to the Compound ‎proposemes, composing the main and the subordinate predicative clauses and proposemes-‎balances, composing two subordinate clauses - subject and predicative. The material for the ‎research are substantive-nominative proposemes taken from the works of British and American ‎writers of the XX century. In the work the definitional analysis, the classification method and ‎the modeling method of structural-functional analysis, the method of linguistic observation, the ‎descriptive and analytical method were used. The results of the research showed that the ‎analyzed proposemes can be treated, first. as the constructions of primary syntactic position ‎which, in the functional plan, are substantive-nominative, secondly, monolithic - on the degree of ‎intensity of connection between their clauses and, thirdly, from a logic-cognitive point of view - ‎monomial, expressing one difficult judgment with the event nature of an objectivization of ‎thought.‎

  11. Mapping the structural and dynamical features of kinesin motor domains.

    Science.gov (United States)

    Scarabelli, Guido; Grant, Barry J

    2013-01-01

    Kinesin motor proteins drive intracellular transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along microtubules. Characterizing these distinct conformations and their interconversion mechanism is essential to determining an atomic-level model of kinesin action. Here we report a comprehensive principal component analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the structural dynamics of the kinesin motor domain. All experimental structures were found to reside in one of three distinct conformational clusters (ATP-like, ADP-like and Eg5 inhibitor-bound). These groups differ in the orientation of key functional elements, most notably the microtubule binding α4-α5, loop8 subdomain and α2b-β4-β6-β7 motor domain tip. Group membership was found not to correlate with the nature of the bound nucleotide in a given structure. However, groupings were coincident with distinct neck-linker orientations. Accelerated molecular dynamics simulations of ATP, ADP and nucleotide free Eg5 indicate that all three nucleotide states could sample the major crystallographically observed conformations. Differences in the dynamic coupling of distal sites were also evident. In multiple ATP bound simulations, the neck-linker, loop8 and the α4-α5 subdomain display correlated motions that are absent in ADP bound simulations. Further dissection of these couplings provides evidence for a network of dynamic communication between the active site, microtubule-binding interface and neck-linker via loop7 and loop13. Additional simulations indicate that the mutations G325A and G326A in loop13 reduce the flexibility of these regions and disrupt their couplings. Our combined results indicate that the reported ATP and ADP-like conformations of kinesin are intrinsically accessible regardless of nucleotide state and support a model where neck-linker docking leads to

  12. Mapping the structural and dynamical features of kinesin motor domains.

    Directory of Open Access Journals (Sweden)

    Guido Scarabelli

    Full Text Available Kinesin motor proteins drive intracellular transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along microtubules. Characterizing these distinct conformations and their interconversion mechanism is essential to determining an atomic-level model of kinesin action. Here we report a comprehensive principal component analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the structural dynamics of the kinesin motor domain. All experimental structures were found to reside in one of three distinct conformational clusters (ATP-like, ADP-like and Eg5 inhibitor-bound. These groups differ in the orientation of key functional elements, most notably the microtubule binding α4-α5, loop8 subdomain and α2b-β4-β6-β7 motor domain tip. Group membership was found not to correlate with the nature of the bound nucleotide in a given structure. However, groupings were coincident with distinct neck-linker orientations. Accelerated molecular dynamics simulations of ATP, ADP and nucleotide free Eg5 indicate that all three nucleotide states could sample the major crystallographically observed conformations. Differences in the dynamic coupling of distal sites were also evident. In multiple ATP bound simulations, the neck-linker, loop8 and the α4-α5 subdomain display correlated motions that are absent in ADP bound simulations. Further dissection of these couplings provides evidence for a network of dynamic communication between the active site, microtubule-binding interface and neck-linker via loop7 and loop13. Additional simulations indicate that the mutations G325A and G326A in loop13 reduce the flexibility of these regions and disrupt their couplings. Our combined results indicate that the reported ATP and ADP-like conformations of kinesin are intrinsically accessible regardless of nucleotide state and support a model where neck

  13. Cluster Features in Reactions and Structure of Heavy Nuclei

    CERN Document Server

    Adamian, G G; Jolos, R V; Scheid, W; Shneidman, T M

    2003-01-01

    Cluster effects in the structure of heavy nuclei are considered. The properties of the states of the alternating parity bands in Ra, Th, U and Pu isotopes are analyzed within a cluster model. The model is based on the assumption that cluster type shapes are produced by the motion of the nuclear system in the mass asymmetry coordinate. The results of calculations of the spin dependence of the parity splitting and of the electric multipole transition moments are in agreement with the experimental data.

  14. Structural features of vanadyl porphyrins of petroleum of West Kazakhstan

    Energy Technology Data Exchange (ETDEWEB)

    Bakirova, S.F.; Kotova, A.V.; Yag' yaeva, S.; Fedorova, N.V.; Nadirov, N.K.

    1984-01-01

    During the past 10 to 15 years studies have been published concerning petroleum porphyrins in which a description was given of the composition and structure of porphyrins of petroleums found in various regions abroad and in the Soviet Union - West Siberia, the Kama region, Tajikistan. Porphyrin structure has been established using electron and IR spectroscopy, nuclear and paramagnetic resonance, mass-spectrometry (low and high resolution), these techniques enabled the form of the main nucleus and its peripheral substituents to be established and yielded information concerning the molar mass values and the number of carbon atoms in alkyl chains. Methods developed in the Tomsk Institute of Petroleum Chemistry, USSR Academy of Sciences were used in this study, which involve the following operations: (1) extraction of porphyrins from petroleum using dimethylformamide; (2) chromatographic purification of the separated porphyrins elution from columns packed with aluminas of different activities by organic solvents and their mixtures, in order of increasing polarities; (3) mass-spectrometric examination of the purified vanadyl-porphyrin samples. The composition of porphyrins and the ratio of etioporphyrins and desoxophylloerythro-etioporphyrins was deduced from the electron spectra obtained from the purified porphyrin samples separated from petroleums.

  15. Artificial-neural-network-based classification of mammographic microcalcifications using image structure features

    Science.gov (United States)

    Dhawan, Atam P.; Chitre, Yateen S.; Moskowitz, Myron

    1993-07-01

    Mammography associated with clinical breast examination and self-breast examination is the only effective and viable method for mass breast screening. It is however, difficult to distinguish between benign and malignant microcalcifications associated with breast cancer. Most of the techniques used in the computerized analysis of mammographic microcalcifications segment the digitized gray-level image into regions representing microcalcifications. We present a second-order gray-level histogram based feature extraction approach to extract microcalcification features. These features, called image structure features, are computed from the second-order gray-level histogram statistics, and do not require segmentation of the original image into binary regions. Several image structure features were computed for 100 cases of `difficult to diagnose' microcalcification cases with known biopsy results. These features were analyzed in a correlation study which provided a set of five best image structure features. A feedforward backpropagation neural network was used to classify mammographic microcalcifications using the image structure features. The network was trained on 10 cases of mammographic microcalcifications and tested on additional 85 `difficult-to-diagnose' microcalcifications cases using the selected image structure features. The trained network yielded good results for classification of `difficult-to- diagnose' microcalcifications into benign and malignant categories.

  16. Anomalous water diffusion in salt solutions

    Science.gov (United States)

    Ding, Yun; Hassanali, Ali A.; Parrinello, Michele

    2014-01-01

    The dynamics of water exhibits anomalous behavior in the presence of different electrolytes. Recent experiments [Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A (2012) J Phys Chem B 116(39):12007–12013] have found that the self-diffusion of water can either be enhanced or suppressed around CsI and NaCl, respectively, relative to that of neat water. Here we show that unlike classical empirical potentials, ab initio molecular dynamics simulations successfully reproduce the qualitative trends observed experimentally. These types of phenomena have often been rationalized in terms of the “structure-making” or “structure-breaking” effects of different ions on the solvent, although the microscopic origins of these features have remained elusive. Rather than disrupting the network in a significant manner, the electrolytes studied here cause rather subtle changes in both structural and dynamical properties of water. In particular, we show that water in the ab initio molecular dynamics simulations is characterized by dynamic heterogeneity, which turns out to be critical in reproducing the experimental trends. PMID:24522111

  17. Structure, hardness and fracture features of nanostructural materials

    International Nuclear Information System (INIS)

    Noskova, N.I.; Korznikov, A.V.; Idrisova, S.R.

    2000-01-01

    A study is made into nanocrystalline metals Cu and Mo, nanocrystalline intermetallic compound Ni 3 Al produced using severe plastic deformation; nanophase alloys Fe 73.5 Cu 1 Nb 3 Si 1.35 B 9 and Pd 81 Cu 7 Si 12 produced by crystallization from amorphous state as well as nanophase materials TiN and Al 2 O 3 produced by nano powder compacting in the temperature range of 273-573 K. Methods of transmission and scanning electron microscopy, X-ray diffraction analysis, mechanical testing and microhardness measurement are applied to study structure, internal elastic stress, phase composition, hardness, strength and plastic properties, surface fracture mode of nanostructural materials [ru

  18. Properties and structural features of iron doped BABAL glasses

    Directory of Open Access Journals (Sweden)

    Reis Signo Tadeu dos

    2003-01-01

    Full Text Available The chemical durability, density and structure of the BABAL glasses with batch compositions (100-x(0.30BaO·0.50B2O3·0.20Al2O3·xFe 2O3 (1 < x < 10 mol%, were investigated using Mössbauer spectroscopy, electron paramagnetic resonance (EPR, X-ray diffraction, Raman and differential thermal analysis (DTA. The chemical durability for the glass of composition 27BaO·45B2O3·18Al 2O3·10Fe2O3 (mol% at 90 °C in distilled water was 700 times lower than that of iron phosphate glass 40Fe2O3·60P2O 5 (mol%. The Mössbauer spectra indicate the presence of iron (II and iron (III in tetrahedral or octahedral coordination. The results obtained from the g ef = 4.3 EPR line are typical of the occurrence of iron (III occupying substitutional sites and the line g ef = 2.0 is related to the association of two or more Fe ions found in the interstices (or holes occupied by the glass modifier cations of the glass network. The paths of X-ray diffraction are typical for glasses based in borate glasses. The Raman spectra showed that the boroxol ring disappears with the increase of iron content, concomitant with the appearance of BO4 and tetraborate structural units. At these conditions, an increase of dissolution rate and clustering of iron ions is observed.

  19. Anomalous carbon nuclei

    International Nuclear Information System (INIS)

    Gasparian, A.P.

    1984-01-01

    Results are presented from a bubble chamber experiment to search for anomalous mean free path (MFP) phenomena for secondary multicharged fragments (Zsub(f)=5 and 6) of the beam carbon nucleus at 4.2 GeV/c per nucleon. A total of 50000 primary interactions of carbon with propane (C 3 H 8 ) were created. Approximately 6000 beam tragments with charges Zsub(f)=5 and 6 were analyzed in detail to find out an anomalous decrease of MFP. The anomaly is observed only for secondary 12 C nuclei

  20. Structural feature controlling superconductivity in compressed BaFe2As2

    International Nuclear Information System (INIS)

    Yang, Wenge; Jia, Feng-Jiang; Tang, Ling-Yun; Tao, Qian; Xu, Zhu-An; Chen, Xiao-Jia

    2014-01-01

    Superconductivity can be induced with the application of pressure but it disappears eventually upon heavy compression in the iron-based parent compound BaFe 2 As 2 . Structural evolution with pressure is used to understand this behavior. By performing synchrotron X-ray powder diffraction measurements with diamond anvil cells up to 26.1 GPa, we find an anomalous behavior of the lattice parameter with a S shape along the a axis but a monotonic decrease in the c-axis lattice parameter with increasing pressure. The close relationship between the axial ratio c/a and the superconducting transition temperature T c is established for this parent compound. The c/a ratio is suggested to be a measure of the spin fluctuation strength. The reduction of T c with the further increase of pressure is a result of the pressure-driven weakness of the spin-fluctuation strength in this material

  1. Effect of some structural features of coals on their reducibility

    Energy Technology Data Exchange (ETDEWEB)

    Grigor' eva, E.A.; Bakirova, E.V.; Lesnikova, E.B.; Larina, N.K.; Zharova, M.N.

    1978-09-01

    Two samples of Kuzbass hard coal, each differing in the intensity of the conversion during hydrogenation (86.5% and 80.4% respectively) were investigated. Sample 1 differed from sample 2 in higher oxygen content, increased ratios of hydrogen to carbon and oxygen to carbon atoms, the presence of humic acid and a high ash content. The data from physical and chemical analysis demonstrate the process of destruction of unstable ester bonds. Sample 1 was characterized by an increased tendency to hydrolize which explained the more intense conversion during hydrogenation. The two raw samples as well as samples, hydrolized and demineralized by 3% hydrochloric acid were reduced. Sample 1 demonstrated an increased disposition to reduce and had a high content in the raw coal of easily hydrolized ester bonds. The behaviour of the coal during reduction by sodium boron hydride was directly dependent on the presence of easily hydrolized bonds in the organic mass, and on the form of bonding of the mineral components in the structure of the coal.

  2. Generic eukaryotic core promoter prediction using structural features of DNA.

    Science.gov (United States)

    Abeel, Thomas; Saeys, Yvan; Bonnet, Eric; Rouzé, Pierre; Van de Peer, Yves

    2008-02-01

    Despite many recent efforts, in silico identification of promoter regions is still in its infancy. However, the accurate identification and delineation of promoter regions is important for several reasons, such as improving genome annotation and devising experiments to study and understand transcriptional regulation. Current methods to identify the core region of promoters require large amounts of high-quality training data and often behave like black box models that output predictions that are difficult to interpret. Here, we present a novel approach for predicting promoters in whole-genome sequences by using large-scale structural properties of DNA. Our technique requires no training, is applicable to many eukaryotic genomes, and performs extremely well in comparison with the best available promoter prediction programs. Moreover, it is fast, simple in design, and has no size constraints, and the results are easily interpretable. We compared our approach with 14 current state-of-the-art implementations using human gene and transcription start site data and analyzed the ENCODE region in more detail. We also validated our method on 12 additional eukaryotic genomes, including vertebrates, invertebrates, plants, fungi, and protists.

  3. Structural and functional features of central nervous system lymphatic vessels.

    Science.gov (United States)

    Louveau, Antoine; Smirnov, Igor; Keyes, Timothy J; Eccles, Jacob D; Rouhani, Sherin J; Peske, J David; Derecki, Noel C; Castle, David; Mandell, James W; Lee, Kevin S; Harris, Tajie H; Kipnis, Jonathan

    2015-07-16

    One of the characteristics of the central nervous system is the lack of a classical lymphatic drainage system. Although it is now accepted that the central nervous system undergoes constant immune surveillance that takes place within the meningeal compartment, the mechanisms governing the entrance and exit of immune cells from the central nervous system remain poorly understood. In searching for T-cell gateways into and out of the meninges, we discovered functional lymphatic vessels lining the dural sinuses. These structures express all of the molecular hallmarks of lymphatic endothelial cells, are able to carry both fluid and immune cells from the cerebrospinal fluid, and are connected to the deep cervical lymph nodes. The unique location of these vessels may have impeded their discovery to date, thereby contributing to the long-held concept of the absence of lymphatic vasculature in the central nervous system. The discovery of the central nervous system lymphatic system may call for a reassessment of basic assumptions in neuroimmunology and sheds new light on the aetiology of neuroinflammatory and neurodegenerative diseases associated with immune system dysfunction.

  4. Structural Features in Tunica Media of the Aorta in Lamb

    Directory of Open Access Journals (Sweden)

    Dalma CSIBI

    2017-05-01

    Full Text Available In blood vessels situated just after the heart, an irregular blood flow occurs due to some specific structural elements of the tunica media. The current paper describes the histological aspects of some post-cardiac arterial sections in lamb. The tissue samples were collected from five 30 days old male lambs (Țurcană breed. Histological specimens from different regions of the aorta were harvested (i.e., the ascending aorta, aortic arch, thoracic and abdominal regions of the descending aorta. From the specified regions, small pieces (cca. 0.5 cm were fixed in neutral 10% buffered formalin. The tissues were subsequently embedded in paraffin wax, sectioned at 5 μm, and stained with Goldner’s trichrome and Verhoeff methods. Tissue analysis was performed using an Olympus system for image acquisition and analysis. Histological appearance of the assessed segments of the aorta in lamb is unusual. Major changes occur in tunica media of the aorta. In the ascending aorta, aortic arch and thoracic regions of the aorta, the histological outline is somewhat the same. The internal region of the media possesses the typical lamellar arrangement. Concerning the outer part of tunica media, the smooth muscle has a tendency to form bundles of various sizes. The muscle islands are not present in the media of abdominal region of the aorta, which exhibits the classic pattern of elastic arteries.

  5. Compressive behavior of pervious concretes and a quantification of the influence of random pore structure features

    International Nuclear Information System (INIS)

    Deo, Omkar; Neithalath, Narayanan

    2010-01-01

    Research highlights: → Identified the relevant pore structure features of pervious concretes, provided methodologies to extract those, and quantified the influence of these features on compressive response. → A model for stress-strain relationship of pervious concretes, and relationship between model parameters and parameters of the stress-strain relationship developed. → Statistical model for compressive strength as a function of pore structure features; and a stochastic model for the sensitivity of pore structure features in strength prediction. - Abstract: Properties of a random porous material such as pervious concrete are strongly dependent on its pore structure features, porosity being an important one among them. This study deals with developing an understanding of the material structure-compressive response relationships in pervious concretes. Several pervious concrete mixtures with different pore structure features are proportioned and subjected to static compression tests. The pore structure features such as pore area fractions, pore sizes, mean free spacing of the pores, specific surface area, and the three-dimensional pore distribution density are extracted using image analysis methods. The compressive stress-strain response of pervious concretes, a model to predict the stress-strain response, and its relationship to several of the pore structure features are outlined. Larger aggregate sizes and increase in paste volume fractions are observed to result in increased compressive strengths. The compressive response is found to be influenced by the pore sizes, their distributions and spacing. A statistical model is used to relate the compressive strength to the relevant pore structure features, which is then used as a base model in a Monte-Carlo simulation to evaluate the sensitivity of the predicted compressive strength to the model terms.

  6. Kinetic studies of anomalous transport

    International Nuclear Information System (INIS)

    Tang, W.M.

    1990-11-01

    Progress in achieving a physics-based understanding of anomalous transport in toroidal systems has come in large part from investigations based on the proposition that low frequency electrostatic microinstabilities are dominant in the bulk (''confinement'') region of these plasmas. Although the presence here of drift-type modes dependent on trapped particle and ion temperature gradient driven effects appears to be consistent with a number of important observed confinement trends, conventional estimates for these instabilities cannot account for the strong current (I p ) and /or q-scaling frequently found in empirically deduced global energy confinement times for auxiliary-heated discharges. The present paper deals with both linear and nonlinear physics features, ignored in simpler estimates, which could introduce an appreciable local dependence on current. It is also pointed out that while the thermal flux characteristics of drift modes have justifiably been the focus of experimental studies assessing their relevance, other transport properties associated with these microinstabilities should additionally be examined. Accordingly, the present paper provides estimates and discusses the significance of anomalous energy exchange between ions and electrons when fluctuations are present. 19 refs., 3 figs

  7. Anomalous Hall effect

    Czech Academy of Sciences Publication Activity Database

    Nagaosa, N.; Sinova, Jairo; Onoda, S.; MacDonald, A. H.; Ong, N. P.

    2010-01-01

    Roč. 82, č. 2 (2010), s. 1539-1592 ISSN 0034-6861 Institutional research plan: CEZ:AV0Z10100521 Keywords : anomalous Hall effect * spintronics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 51.695, year: 2010

  8. Structural phase transition causing anomalous photoluminescence behavior in perovskite (C{sub 6}H{sub 11}NH{sub 3}){sub 2}[PbI{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Yangui, A. [Groupe d’Etudes de la Matière Condensée, UMR CNRS 8653-Université de Versailles Saint Quentin En Yvelines, 45 Avenue des Etats-Unis, 78035 Versailles (France); Laboratoire de Physique Appliquée, Faculté des Sciences de Sfax, Route de Soukra km 3.5 BP 1171, 3018 Sfax (Tunisia); Pillet, S. [Laboratoire de Cristallographie, Résonance Magnétique et Modélisations, UMR-CNRS 7036, Institut Jean Barriol, Université de Lorraine, BP 239, 54506 Vandoeuvre-lès-Nancy (France); Mlayah, A. [Centre d’Elaboration de Matériaux et d’Etudes Structurales (CEMES), CNRS UPR 8011-Université de Toulouse, 29 rue Jeanne Marvig 31055, Toulouse, Cedex 4 (France); Lusson, A.; Bouchez, G.; Boukheddaden, K., E-mail: Younes.abid@fss.rnu.tn, E-mail: kbo@physique.uvsq.fr [Groupe d’Etudes de la Matière Condensée, UMR CNRS 8653-Université de Versailles Saint Quentin En Yvelines, 45 Avenue des Etats-Unis, 78035 Versailles (France); Triki, S. [Laboratoire de Chimie, Electrochimie Moléculaires, Chimie Analytique, UMR CNRS 6521-Université de Bretagne Occidentale, BP 809, 29285 Brest (France); Abid, Y., E-mail: Younes.abid@fss.rnu.tn, E-mail: kbo@physique.uvsq.fr [Laboratoire de Physique Appliquée, Faculté des Sciences de Sfax, Route de Soukra km 3.5 BP 1171, 3018 Sfax (Tunisia)

    2015-12-14

    Optical and structural properties of the organic-inorganic hybrid perovskite-type (C{sub 6}H{sub 11}NH{sub 3}){sub 2}[PbI{sub 4}] (abbreviated as C{sub 6}PbI{sub 4}) were investigated using optical absorption, photoluminescence (PL), and x-ray diffraction measurements. Room temperature, optical absorption measurements, performed on spin-coated films of C{sub 6}PbI{sub 4}, revealed two absorption bands at 2.44 and 3.21 eV. Upon 325 nm (3.815 eV) laser irradiation, strong green PL emission peaks were observed at 2.41 eV (P1) and 2.24 eV (P2) and assigned to free and localized excitons, respectively. The exciton binding energy was estimated at 356 meV. At low temperature, two additional emission bands were detected at 2.366 eV (P3) and a large band (LB) at 1.97 eV. The former appeared only below 40 K and the latter emerged below 130 K. The thermal dependence of the PL spectra revealed an abnormal behavior accompanied by singularities in the peak positions and intensities at 40 and 130 K. X-ray diffraction studies performed on powder and single crystals as a function of temperature evidenced significant changes of the interlayer spacing at 50 K and ∼138 K. Around 138 K, a commensurate to incommensurate structural phase transition occurred on cooling. It involves a symmetry breaking leading to a distortion of the PbI{sub 6} octahedron. The resulting incommensurate spatial modulation of the Pb–I distances (and Pb–I–Pb angles) causes a spatial modulation of the band gap, which is at the origin of the emergence of the LB below ∼130 K and the anomalous behavior of the position of P1 below 130 K. The change of the interlayer spacing in the 40-50 K range may in turn be related to the significant decrease of the intensity of P2 and the maximum emission of the LB. These results underline the intricate character of the structural and the PL properties of the hybrid perovskites; understanding such properties should benefit to the design of optoelectronic devices with

  9. Structural phase transition causing anomalous photoluminescence behavior in perovskite (C6H11NH3)2[PbI4

    International Nuclear Information System (INIS)

    Yangui, A.; Pillet, S.; Mlayah, A.; Lusson, A.; Bouchez, G.; Boukheddaden, K.; Triki, S.; Abid, Y.

    2015-01-01

    Optical and structural properties of the organic-inorganic hybrid perovskite-type (C 6 H 11 NH 3 ) 2 [PbI 4 ] (abbreviated as C 6 PbI 4 ) were investigated using optical absorption, photoluminescence (PL), and x-ray diffraction measurements. Room temperature, optical absorption measurements, performed on spin-coated films of C 6 PbI 4 , revealed two absorption bands at 2.44 and 3.21 eV. Upon 325 nm (3.815 eV) laser irradiation, strong green PL emission peaks were observed at 2.41 eV (P1) and 2.24 eV (P2) and assigned to free and localized excitons, respectively. The exciton binding energy was estimated at 356 meV. At low temperature, two additional emission bands were detected at 2.366 eV (P3) and a large band (LB) at 1.97 eV. The former appeared only below 40 K and the latter emerged below 130 K. The thermal dependence of the PL spectra revealed an abnormal behavior accompanied by singularities in the peak positions and intensities at 40 and 130 K. X-ray diffraction studies performed on powder and single crystals as a function of temperature evidenced significant changes of the interlayer spacing at 50 K and ∼138 K. Around 138 K, a commensurate to incommensurate structural phase transition occurred on cooling. It involves a symmetry breaking leading to a distortion of the PbI 6 octahedron. The resulting incommensurate spatial modulation of the Pb–I distances (and Pb–I–Pb angles) causes a spatial modulation of the band gap, which is at the origin of the emergence of the LB below ∼130 K and the anomalous behavior of the position of P1 below 130 K. The change of the interlayer spacing in the 40-50 K range may in turn be related to the significant decrease of the intensity of P2 and the maximum emission of the LB. These results underline the intricate character of the structural and the PL properties of the hybrid perovskites; understanding such properties should benefit to the design of optoelectronic devices with targeted properties

  10. Porous and Fluffy Grains in the Regions of Anomalous Extinction

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... It has long been established that the ratio of total to selective extinction is anomalously large (≥ 5) in certain regions of the interstellar medium. In these regions of anomalous extinction the dust grains are likely to be irregular in shape and fluffy in structure. Using discrete dipole approximation (DDA) we ...

  11. Beta Function and Anomalous Dimensions

    DEFF Research Database (Denmark)

    Pica, Claudio; Sannino, Francesco

    2011-01-01

    We demonstrate that it is possible to determine the coefficients of an all-order beta function linear in the anomalous dimensions using as data the two-loop coefficients together with the first one of the anomalous dimensions which are universal. The beta function allows to determine the anomalous...

  12. Superconductivity in an anomalously tetragonal YB2C3O6.62 single crystal: A possible singularity in the structural phase diagram

    DEFF Research Database (Denmark)

    Frello, T.; Andersen, N.H.; Baziljevich, M.

    2003-01-01

    superconducting. This makes the sample highly anomalous in two respects: with a stoichiometry of YBa2Cu3O6.62 the sample should have an orthorhombic symmetry, and a tetragonal undoped sample should not be superconducting at all. Our results corroborate previous findings of Topnikov [JETP Lett. 46, 577 (1987......)] of a tetragonal superconducting YBCO crystal with x=0.62....

  13. MOA-derived Structural Feature Map of the Ronne Ice Shelf, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set provides a structural feature map of the Ronne Ice Shelf in Antarctica (also known as the Filchner-Ronne Ice Shelf). The map was developed as part of a...

  14. The inhibitory potency of local anesthetics on NMDA receptor signalling depends on their structural features

    NARCIS (Netherlands)

    Gronwald, Carsten; Vegh, Vladimir; Hollmann, Markus W.; Hahnenkamp, Anke; Garaj, Vladimir; Hahnenkamp, Klaus

    2012-01-01

    Development of postoperative hyperalgesia depends on N-methyl-D-aspartate (NMDA) receptor activation. Local anesthetics protect against those hyperalgesic pain states and inhibit NMDA receptor activation. To outline what structural features of local anesthetics are responsible for NMDA receptor

  15. The research of structural features of astralens - nanodimensional carbon particles of fulleroid type

    International Nuclear Information System (INIS)

    Ponomarev, A.N.; Nikitin, V.A.; Rybalko, V.V.

    2006-01-01

    The article is focused on the research of structural features of astralens - nanodimensional carbonic particles of fulleroid type. Astralens are perspective nanomodificators of properties of materials of different types. The potentials os astralens as modificators depend on their characteristic structural features, and in the first place, on the distribution of nanoparticles by sizes. The typical dimensions of astralens are determined to be within the range of 15-75 nm [ru

  16. Coordination Analysis Using Global Structural Constraints and Alignment-based Local Features

    Science.gov (United States)

    Hara, Kazuo; Shimbo, Masashi; Matsumoto, Yuji

    We propose a hybrid approach to coordinate structure analysis that combines a simple grammar to ensure consistent global structure of coordinations in a sentence, and features based on sequence alignment to capture local symmetry of conjuncts. The weight of the alignment-based features, which in turn determines the score of coordinate structures, is optimized by perceptron training on a given corpus. A bottom-up chart parsing algorithm efficiently finds the best scoring structure, taking both nested or non-overlapping flat coordinations into account. We demonstrate that our approach outperforms existing parsers in coordination scope detection on the Genia corpus.

  17. Structural features that predict real-value fluctuations of globular proteins.

    Science.gov (United States)

    Jamroz, Michal; Kolinski, Andrzej; Kihara, Daisuke

    2012-05-01

    It is crucial to consider dynamics for understanding the biological function of proteins. We used a large number of molecular dynamics (MD) trajectories of nonhomologous proteins as references and examined static structural features of proteins that are most relevant to fluctuations. We examined correlation of individual structural features with fluctuations and further investigated effective combinations of features for predicting the real value of residue fluctuations using the support vector regression (SVR). It was found that some structural features have higher correlation than crystallographic B-factors with fluctuations observed in MD trajectories. Moreover, SVR that uses combinations of static structural features showed accurate prediction of fluctuations with an average Pearson's correlation coefficient of 0.669 and a root mean square error of 1.04 Å. This correlation coefficient is higher than the one observed in predictions by the Gaussian network model (GNM). An advantage of the developed method over the GNMs is that the former predicts the real value of fluctuation. The results help improve our understanding of relationships between protein structure and fluctuation. Furthermore, the developed method provides a convienient practial way to predict fluctuations of proteins using easily computed static structural features of proteins. Copyright © 2012 Wiley Periodicals, Inc.

  18. ON THE SOURCE OF ASTROMETRIC ANOMALOUS REFRACTION

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, M. Suzanne [Department of Natural and Environmental Sciences, Western State Colorado University, 128 Hurst Hall, Gunnison, CO 81230 (United States); McGraw, John T.; Zimmer, Peter C. [Department of Physics and Astronomy, University of New Mexico, MSC07 4220, Albuquerque, NM 87131 (United States); Pier, Jeffrey R., E-mail: mstaylor@western.edu [Division of Astronomical Sciences, NSF 4201 Wilson Blvd, Arlington, VA 22230 (United States)

    2013-03-15

    More than a century ago, astronomers using transit telescopes to determine precise stellar positions were hampered by an unexplained periodic shifting of the stars they were observing. With the advent of CCD transit telescopes in the past three decades, this unexplained motion, termed 'anomalous refraction' by these early astronomers, is again being observed. Anomalous refraction is described as a low-frequency, large angular scale ({approx}2 Degree-Sign ) motion of the entire image plane with respect to the celestial coordinate system as observed and defined by astrometric catalogs. These motions, of typically several tenths of an arcsecond amplitude with timescales on the order of 10 minutes, are ubiquitous to ground-based drift-scan astrometric measurements regardless of location or telescopes used and have been attributed to the effect of tilting of equal-density layers of the atmosphere. The cause of this tilting has often been attributed to atmospheric gravity waves, but this cause has never been confirmed. Although theoretical models of atmospheric refraction show that atmospheric gravity waves are a plausible cause of anomalous refraction, an observational campaign specifically directed at defining this relationship provides clear evidence that anomalous refraction is not consistent with the passage of atmospheric gravity waves. The source of anomalous refraction is found to be meter-scale, slowly evolving quasi-coherent dynamical structures in the boundary layer below 60 m above ground level.

  19. Anomalous Peaklike Structure in the Fission Fragment Anisotropiesat Sub-barrier Energies in {sup 11}B, {sup 12}C, {sup 16}O, {sup 19}F+{sup 232}Th Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Majumdar, N.; Bhattacharya, P. [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar Calcutta 700 064 (India); Biswas, D.C.; Choudhury, R.K.; Nadkarni, D.M.; Saxena, A. [Bhabha Atomic Research Centre, Bombay 400 085 (India)

    1996-12-01

    Fission fragment angular distributions have been measured for fission following full momentum transfer in {sup 11}B, {sup 12}C, {sup 16}O, and {sup 19}F+{sup 232}Th systems from above barrier to below sub-barrier energies. The fragment anisotropies are found to exhibit an anomalous peaklike structure below the fusion barrier in all the systems. This structure has a universal behavior independent of the entrance channel mass asymmetry. With some refinement in the quasifission hypothesis it is possible to explain qualitatively the experimental results reasonably well. {copyright} {ital 1996 The American Physical Society.}

  20. Anomalous Diffusion Near Resonances

    Energy Technology Data Exchange (ETDEWEB)

    Sen, Tanaji; /Fermilab

    2010-05-01

    Synchro-betatron resonances can lead to emittance growth and the loss of luminosity. We consider the detailed dynamics of a bunch near such a low order resonance driven by crossing angles at the collision points. We characterize the nature of diffusion and find that it is anomalous and sub-diffusive. This affects both the shape of the beam distribution and the time scales for growth. Predictions of a simplified anomalous diffusion model are compared with direct simulations. Transport of particles near resonances is still not a well understood phenomenon. Often, without justification, phase space motion is assumed to be a normal diffusion process although at least one case of anomalous diffusion in beam dynamics has been reported [1]. Here we will focus on the motion near synchro-betatron resonances which can be excited by several means, including beams crossing at an angle at the collision points as in the LHC. We will consider low order resonances which couple the horizontal and longitudinal planes, both for simplicity and to observe large effects over short time scales. While the tunes we consider are not practical for a collider, nonetheless the transport mechanisms we uncover are also likely to operate at higher order resonances.

  1. 'Complexity' and anomalous transport in space plasmas

    International Nuclear Information System (INIS)

    Chang, Tom; Wu Chengchin

    2002-01-01

    'Complexity' has become a hot topic in nearly every field of modern physics. Space plasma is of no exception. In this paper, it is demonstrated that the sporadic and localized interactions of magnetic coherent structures are the origin of 'complexity' in space plasmas. The intermittent localized interactions, which generate the anomalous diffusion, transport, and evolution of the macroscopic state variables of the overall dynamical system, may be modeled by a triggered (fast) localized chaotic growth equation of a set of relevant order parameters. Such processes would generally pave the way for the global system to evolve into a 'complex' state of long-ranged interactions of fluctuations, displaying the phenomenon of forced and/or self-organized criticality. An example of such type of anomalous transport and evolution in a sheared magnetic field is provided via two-dimensional magnetohydrodynamic simulations. The coarse-grained dissipation due to the intermittent triggered interactions among the magnetic coherent structures induces a 'fluctuation-induced nonlinear instability' that reconfigures the sheared magnetic field into an X-point magnetic geometry (in the mean field sense), leading to the anomalous acceleration of the magnetic coherent structures. A phenomenon akin to such type of anomalous transport and acceleration, the so-called bursty bulk flows, has been commonly observed in the plasma sheet of the Earth's magnetotail

  2. Heuristic algorithms for feature selection under Bayesian models with block-diagonal covariance structure.

    Science.gov (United States)

    Foroughi Pour, Ali; Dalton, Lori A

    2018-03-21

    Many bioinformatics studies aim to identify markers, or features, that can be used to discriminate between distinct groups. In problems where strong individual markers are not available, or where interactions between gene products are of primary interest, it may be necessary to consider combinations of features as a marker family. To this end, recent work proposes a hierarchical Bayesian framework for feature selection that places a prior on the set of features we wish to select and on the label-conditioned feature distribution. While an analytical posterior under Gaussian models with block covariance structures is available, the optimal feature selection algorithm for this model remains intractable since it requires evaluating the posterior over the space of all possible covariance block structures and feature-block assignments. To address this computational barrier, in prior work we proposed a simple suboptimal algorithm, 2MNC-Robust, with robust performance across the space of block structures. Here, we present three new heuristic feature selection algorithms. The proposed algorithms outperform 2MNC-Robust and many other popular feature selection algorithms on synthetic data. In addition, enrichment analysis on real breast cancer, colon cancer, and Leukemia data indicates they also output many of the genes and pathways linked to the cancers under study. Bayesian feature selection is a promising framework for small-sample high-dimensional data, in particular biomarker discovery applications. When applied to cancer data these algorithms outputted many genes already shown to be involved in cancer as well as potentially new biomarkers. Furthermore, one of the proposed algorithms, SPM, outputs blocks of heavily correlated genes, particularly useful for studying gene interactions and gene networks.

  3. Unique Structural Features and Sequence Motifs of Proline Utilization A (PutA)

    OpenAIRE

    Singh, Ranjan K.; Tanner, John J.

    2012-01-01

    Proline utilization A proteins (PutAs) are bifunctional enzymes that catalyze the oxidation of proline to glutamate using spatially separated proline dehydrogenase and pyrroline-5-carboxylate dehydrogenase active sites. Here we use the crystal structure of the minimalist PutA from Bradyrhizobium japonicum (BjPutA) along with sequence analysis to identify unique structural features of PutAs. This analysis shows that PutAs have secondary structural elements and domains not found in the related ...

  4. Structural and compositional features of high-rise buildings: experimental design in Yekaterinburg

    Science.gov (United States)

    Yankovskaya, Yulia; Lobanov, Yuriy; Temnov, Vladimir

    2018-03-01

    The study looks at the specifics of high-rise development in Yekaterinburg. High-rise buildings are considered in the context of their historical development, structural features, compositional and imaginative design techniques. Experience of Yekaterinburg architects in experimental design is considered and analyzed. Main issues and prospects of high-rise development within the Yekaterinburg structure are studied. The most interesting and significant conceptual approaches to the structural and compositional arrangement of high-rise buildings are discussed.

  5. A Feature-Based Structural Measure: An Image Similarity Measure for Face Recognition

    Directory of Open Access Journals (Sweden)

    Noor Abdalrazak Shnain

    2017-08-01

    Full Text Available Facial recognition is one of the most challenging and interesting problems within the field of computer vision and pattern recognition. During the last few years, it has gained special attention due to its importance in relation to current issues such as security, surveillance systems and forensics analysis. Despite this high level of attention to facial recognition, the success is still limited by certain conditions; there is no method which gives reliable results in all situations. In this paper, we propose an efficient similarity index that resolves the shortcomings of the existing measures of feature and structural similarity. This measure, called the Feature-Based Structural Measure (FSM, combines the best features of the well-known SSIM (structural similarity index measure and FSIM (feature similarity index measure approaches, striking a balance between performance for similar and dissimilar images of human faces. In addition to the statistical structural properties provided by SSIM, edge detection is incorporated in FSM as a distinctive structural feature. Its performance is tested for a wide range of PSNR (peak signal-to-noise ratio, using ORL (Olivetti Research Laboratory, now AT&T Laboratory Cambridge and FEI (Faculty of Industrial Engineering, São Bernardo do Campo, São Paulo, Brazil databases. The proposed measure is tested under conditions of Gaussian noise; simulation results show that the proposed FSM outperforms the well-known SSIM and FSIM approaches in its efficiency of similarity detection and recognition of human faces.

  6. Common Features in Electronic Structure of the Oxypnictide Superconductors from Photoemission Spectroscopy

    International Nuclear Information System (INIS)

    Xiao-Wen, Jia; Hai-Yun, Liu; Wen-Tao, Zhang; Lin, Zhao; Jian-Qiao, Meng; Guo-Dong, Liu; Xiao-Li, Dong; Zhi-An, Ren; Wei, Yi; Guang-Can, Che; Zhong-Xian, Zhao; Gang, Wu; Rong-Hua, Liu; Xian-Hui, Chen; Gen-Fu, Chen; Nan-Lin, Wang; Yong, Zhu; Xiao-Yang, Wang; Gui-Ling, Wang; Yong, Zhou

    2008-01-01

    High resolution photoemission measurements are carried out on non-superconducting LaFeAsO parent compound and various superconducting RFeAs(O 1-x F x ) (R=La, Ce and Pr) compounds. It is found that the parent LaFeAsO compound shows a metallic character. By extensive measurements, several common features are identified in the electronic structure of these Fe-based compounds: (1) 0.2 eV feature in the valence band, (2) a universal 13-16 meV feature, (3) near Ef spectral weight suppression with decreasing temperature. These universal features can provide important information about band structure, superconducting gap and pseudogap in these Fe-based materials

  7. The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage

    DEFF Research Database (Denmark)

    Skjoldager, Nicklas; Bang, Maria Blanner; Rykær, Martin

    2017-01-01

    been determined. These structures reveal novel molecular features that provide further insight into the mechanisms behind the sensitivity of this enzyme toward visible light. We propose that a pocket on the si-face of the isoalloxazine ring accommodates oxygen that reacts with photo-excited FAD...... thus be a widespread feature among bacterial TrxR with the described characteristics, which affords applications in clinical photo-therapy of drug-resistant bacteria....

  8. Automatic feature learning using multichannel ROI based on deep structured algorithms for computerized lung cancer diagnosis.

    Science.gov (United States)

    Sun, Wenqing; Zheng, Bin; Qian, Wei

    2017-10-01

    This study aimed to analyze the ability of extracting automatically generated features using deep structured algorithms in lung nodule CT image diagnosis, and compare its performance with traditional computer aided diagnosis (CADx) systems using hand-crafted features. All of the 1018 cases were acquired from Lung Image Database Consortium (LIDC) public lung cancer database. The nodules were segmented according to four radiologists' markings, and 13,668 samples were generated by rotating every slice of nodule images. Three multichannel ROI based deep structured algorithms were designed and implemented in this study: convolutional neural network (CNN), deep belief network (DBN), and stacked denoising autoencoder (SDAE). For the comparison purpose, we also implemented a CADx system using hand-crafted features including density features, texture features and morphological features. The performance of every scheme was evaluated by using a 10-fold cross-validation method and an assessment index of the area under the receiver operating characteristic curve (AUC). The observed highest area under the curve (AUC) was 0.899±0.018 achieved by CNN, which was significantly higher than traditional CADx with the AUC=0.848±0.026. The results from DBN was also slightly higher than CADx, while SDAE was slightly lower. By visualizing the automatic generated features, we found some meaningful detectors like curvy stroke detectors from deep structured schemes. The study results showed the deep structured algorithms with automatically generated features can achieve desirable performance in lung nodule diagnosis. With well-tuned parameters and large enough dataset, the deep learning algorithms can have better performance than current popular CADx. We believe the deep learning algorithms with similar data preprocessing procedure can be used in other medical image analysis areas as well. Copyright © 2017. Published by Elsevier Ltd.

  9. Anomalous Lorentz and CPT violation

    Science.gov (United States)

    Klinkhamer, F. R.

    2018-01-01

    If there exists Lorentz and CPT violation in nature, then it is crucial to discover and understand the underlying mechanism. In this contribution, we discuss one such mechanism which relies on four-dimensional chiral gauge theories defined over a spacetime manifold with topology ℛ3 × S 1 and periodic spin structure for the compact dimension. It can be shown that the effective gauge-field action contains a local Chern-Simons-like term which violates Lorentz and CPT invariance. For arbitrary Abelian U(1) gauge fields with trivial holonomies in the compact direction, this anomalous Lorentz and CPT violation has recently been established perturbatively with a Pauli-Villars-type regularization and nonperturbatively with a lattice regularization based on Ginsparg-Wilson fermions.

  10. Fractal model of anomalous diffusion

    OpenAIRE

    Gmachowski, Lech

    2015-01-01

    An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An...

  11. Feature Selection Combined with Neural Network Structure Optimization for HIV-1 Protease Cleavage Site Prediction

    Directory of Open Access Journals (Sweden)

    Hui Liu

    2015-01-01

    Full Text Available It is crucial to understand the specificity of HIV-1 protease for designing HIV-1 protease inhibitors. In this paper, a new feature selection method combined with neural network structure optimization is proposed to analyze the specificity of HIV-1 protease and find the important positions in an octapeptide that determined its cleavability. Two kinds of newly proposed features based on Amino Acid Index database plus traditional orthogonal encoding features are used in this paper, taking both physiochemical and sequence information into consideration. Results of feature selection prove that p2, p1, p1′, and p2′ are the most important positions. Two feature fusion methods are used in this paper: combination fusion and decision fusion aiming to get comprehensive feature representation and improve prediction performance. Decision fusion of subsets that getting after feature selection obtains excellent prediction performance, which proves feature selection combined with decision fusion is an effective and useful method for the task of HIV-1 protease cleavage site prediction. The results and analysis in this paper can provide useful instruction and help designing HIV-1 protease inhibitor in the future.

  12. A forest-based feature screening approach for large-scale genome data with complex structures.

    Science.gov (United States)

    Wang, Gang; Fu, Guifang; Corcoran, Christopher

    2015-12-23

    Genome-wide association studies (GWAS) interrogate large-scale whole genome to characterize the complex genetic architecture for biomedical traits. When the number of SNPs dramatically increases to half million but the sample size is still limited to thousands, the traditional p-value based statistical approaches suffer from unprecedented limitations. Feature screening has proved to be an effective and powerful approach to handle ultrahigh dimensional data statistically, yet it has not received much attention in GWAS. Feature screening reduces the feature space from millions to hundreds by removing non-informative noise. However, the univariate measures used to rank features are mainly based on individual effect without considering the mutual interactions with other features. In this article, we explore the performance of a random forest (RF) based feature screening procedure to emphasize the SNPs that have complex effects for a continuous phenotype. Both simulation and real data analysis are conducted to examine the power of the forest-based feature screening. We compare it with five other popular feature screening approaches via simulation and conclude that RF can serve as a decent feature screening tool to accommodate complex genetic effects such as nonlinear, interactive, correlative, and joint effects. Unlike the traditional p-value based Manhattan plot, we use the Permutation Variable Importance Measure (PVIM) to display the relative significance and believe that it will provide as much useful information as the traditional plot. Most complex traits are found to be regulated by epistatic and polygenic variants. The forest-based feature screening is proven to be an efficient, easily implemented, and accurate approach to cope whole genome data with complex structures. Our explorations should add to a growing body of enlargement of feature screening better serving the demands of contemporary genome data.

  13. Features Of Household Lexics, Their Characteristics And Structural Analysis In The Modern English Language

    Directory of Open Access Journals (Sweden)

    Aygun Yusifova

    2014-04-01

    Full Text Available The present paper aims to analyze the most inherent features and characteristics of household lexis in English. Special emphasis has been placed on their names of the objects used in everyday life, kitchen utensils, animal and birds. Lexical units concerning ceremonies, habits and traditions are also among the scope of the paper. Moreover, the study deals with the structural features of the units under consideration. It is believed that the thematic-semantic characterization of every-day lexis can have both pedagogical and linguistic implications, especially when dealing with comparative structures.

  14. Structural class prediction of protein using novel feature extraction method from chaos game representation of predicted secondary structure.

    Science.gov (United States)

    Zhang, Lichao; Kong, Liang; Han, Xiaodong; Lv, Jinfeng

    2016-07-07

    Protein structural class prediction plays an important role in protein structure and function analysis, drug design and many other biological applications. Extracting good representation from protein sequence is fundamental for this prediction task. In recent years, although several secondary structure based feature extraction strategies have been specially proposed for low-similarity protein sequences, the prediction accuracy still remains limited. To explore the potential of secondary structure information, this study proposed a novel feature extraction method from the chaos game representation of predicted secondary structure to mainly capture sequence order information and secondary structure segments distribution information in a given protein sequence. Several kinds of prediction accuracies obtained by the jackknife test are reported on three widely used low-similarity benchmark datasets (25PDB, 1189 and 640). Compared with the state-of-the-art prediction methods, the proposed method achieves the highest overall accuracies on all the three datasets. The experimental results confirm that the proposed feature extraction method is effective for accurate prediction of protein structural class. Moreover, it is anticipated that the proposed method could be extended to other graphical representations of protein sequence and be helpful in future research. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Fickian dispersion is anomalous

    Science.gov (United States)

    Cushman, John H.; O'Malley, Dan

    2015-12-01

    The thesis put forward here is that the occurrence of Fickian dispersion in geophysical settings is a rare event and consequently should be labeled as anomalous. What people classically call anomalous is really the norm. In a Lagrangian setting, a process with mean square displacement which is proportional to time is generally labeled as Fickian dispersion. With a number of counter examples we show why this definition is fraught with difficulty. In a related discussion, we show an infinite second moment does not necessarily imply the process is super dispersive. By employing a rigorous mathematical definition of Fickian dispersion we illustrate why it is so hard to find a Fickian process. We go on to employ a number of renormalization group approaches to classify non-Fickian dispersive behavior. Scaling laws for the probability density function for a dispersive process, the distribution for the first passage times, the mean first passage time, and the finite-size Lyapunov exponent are presented for fixed points of both deterministic and stochastic renormalization group operators. The fixed points of the renormalization group operators are p-self-similar processes. A generalized renormalization group operator is introduced whose fixed points form a set of generalized self-similar processes. Power-law clocks are introduced to examine multi-scaling behavior. Several examples of these ideas are presented and discussed.

  16. Structural feature extraction protocol for classifying reversible membrane binding protein domains.

    Science.gov (United States)

    Källberg, Morten; Lu, Hui

    2009-01-01

    Machine learning based classification protocols for automated function annotation of protein structures have in many instances proven superior to simpler sequence based procedures. Here we present an automated method for extracting features from protein structures by construction of surface patches to be used in such protocols. The utility of the developed patch-growing procedure is exemplified by its ability to identify reversible membrane binding domains from the C1, C2, and PH families.

  17. Students' Demand for Smartphones: Structural Relationships of Product Features, Brand Name, Product Price and Social Infuence

    Science.gov (United States)

    Suki, Norazah Mohd

    2013-01-01

    Purpose: The study aims to examine structural relationships of product features, brand name, product price and social influence with demand for Smartphones among Malaysian students'. Design/methodology/approach: Data collected from 320 valid pre-screened university students studying at the pubic higher learning institution in Federal Territory of…

  18. Local appearance features for robust MRI brain structure segmentation across scanning protocols

    DEFF Research Database (Denmark)

    Achterberg, H.C.; Poot, Dirk H. J.; van der Lijn, Fedde

    2013-01-01

    Segmentation of brain structures in magnetic resonance images is an important task in neuro image analysis. Several papers on this topic have shown the benefit of supervised classification based on local appearance features, often combined with atlas-based approaches. These methods require a repr...

  19. The Discourse Structure and Linguistic Features of Research Article Abstracts in English by Indonesian Academics

    Science.gov (United States)

    Arsyad, Safnil

    2014-01-01

    To effectively teach university lecturers or students to write a good research article (RA) abstract for publication in international journals, instructors need to know the present characteristics of abstracts written published in such journals. This study examines the discourse structure and linguistic features of RA abstracts written in English…

  20. Quantification of Lignin and Its Structural Features in Plant Biomass Using

    NARCIS (Netherlands)

    Erven, Van Gijs; Visser, de Ries; Merkx, Donny W.H.; Strolenberg, Willem; Gijsel, de Peter; Gruppen, Harry; Kabel, Mirjam A.

    2017-01-01

    Understanding the mechanisms underlying plant biomass recalcitrance at the molecular level can only be achieved by accurate analyses of both the content and structural features of the molecules involved. Current quantification of lignin is, however, majorly based on unspecific gravimetric

  1. The origin of anomalous peak and negative capacitance in the forward bias capacitance-voltage characteristics of Au/PVA/n-Si structures

    Science.gov (United States)

    Altındal, Şemsettin; Uslu, Habibe

    2011-04-01

    The frequency dependence of capacitance-voltage (C-V) and conductance-voltage (G/ω-V) characteristics of the Au/polyvinyl alcohol (Ni, Zn-doped)/n-Si Schottky barrier diodes (SBDs) was investigated in the frequency range of 3 kHz-3 MHz at room temperature by considering series resistance (Rs) and interface states (Nss) effects. The C-V and G/ω-V characteristics confirm that the Rs and Nss are important parameters that strongly influence the electrical parameters of SBDs. The C-V plots show an intersection point (˜2.9 V) at low frequencies (f ≤ 30 kHz) and then take negative values, which is known as negative capacitance (NC) behavior. The negativity of the C increases with the decreasing frequency in the forward bias voltage region, and this decrement in the NC corresponds to the increment in the conductance. Also, the forward bias C-V plots show an anomalous peak in the voltage range of 1.55-1.9 V depending on the frequency such that the anomalous peaks shift toward positive voltage values with the increasing frequency. The effect of Rs on the C is found appreciable at high frequencies. In addition, the values of Nss and Rs are found to decrease with the increasing frequency.

  2. Anomalous Dimensions of Conformal Baryons

    DEFF Research Database (Denmark)

    Pica, Claudio; Sannino, Francesco

    2016-01-01

    We determine the anomalous dimensions of baryon operators for the three color theory as function of the number of massless flavours within the conformal window to the maximum known order in perturbation theory. We show that the anomalous dimension of the baryon is controllably small, within...

  3. Anomalous hydrodynamics in two dimensions

    Indian Academy of Sciences (India)

    Keywords. Anomalous hydrodynamics; gauge anomaly; gravitational anomaly. PACS No. 47.10.ab. The chiral anomaly has played a ubiquitous role in modern physics. It has found appli- cations in several diverse fields like quantum wires, quantum Hall effect, chiral magnetic effect and anomalous hydrodynamics, to name ...

  4. Recognizing clinical entities in hospital discharge summaries using Structural Support Vector Machines with word representation features.

    Science.gov (United States)

    Tang, Buzhou; Cao, Hongxin; Wu, Yonghui; Jiang, Min; Xu, Hua

    2013-01-01

    Named entity recognition (NER) is an important task in clinical natural language processing (NLP) research. Machine learning (ML) based NER methods have shown good performance in recognizing entities in clinical text. Algorithms and features are two important factors that largely affect the performance of ML-based NER systems. Conditional Random Fields (CRFs), a sequential labelling algorithm, and Support Vector Machines (SVMs), which is based on large margin theory, are two typical machine learning algorithms that have been widely applied to clinical NER tasks. For features, syntactic and semantic information of context words has often been used in clinical NER systems. However, Structural Support Vector Machines (SSVMs), an algorithm that combines the advantages of both CRFs and SVMs, and word representation features, which contain word-level back-off information over large unlabelled corpus by unsupervised algorithms, have not been extensively investigated for clinical text processing. Therefore, the primary goal of this study is to evaluate the use of SSVMs and word representation features in clinical NER tasks. In this study, we developed SSVMs-based NER systems to recognize clinical entities in hospital discharge summaries, using the data set from the concept extration task in the 2010 i2b2 NLP challenge. We compared the performance of CRFs and SSVMs-based NER classifiers with the same feature sets. Furthermore, we extracted two different types of word representation features (clustering-based representation features and distributional representation features) and integrated them with the SSVMs-based clinical NER system. We then reported the performance of SSVM-based NER systems with different types of word representation features. Using the same training (N = 27,837) and test (N = 45,009) sets in the challenge, our evaluation showed that the SSVMs-based NER systems achieved better performance than the CRFs-based systems for clinical entity recognition, when

  5. THE GEOMORPHOLOGIC FEATURES OF INTRUSIVE MAGMATIC STRUCTURES FROM BÂRGĂU MOUNTAINS (EASTERN CARPATHIANS, ROMANIA

    Directory of Open Access Journals (Sweden)

    Ioan Bâca

    2016-08-01

    Full Text Available Igneous intrusive structures from Bârgău Mountains belong to the group of central Neogene volcanic chain of the Eastern Carpathians of Romania. The evolution of the relief developed on these structures are three main stages: the stage of injection of structures (Pannonian, the stage of uncovering of igneous intrusive bodies from Oligo-Miocene sedimentary cover (Pliocene, and the stage of subaerial modeling of magmatic bodies (Pliocene-current.In those circumstances, the geodiversity of intrusive magmatic structures from Bârgău Mountains is represented by several types of landforms such as: polycyclic landforms (erosional levels, structural landforms (the configuration of igneous intrusive structures, petrographic landforms (andesites, lithological contact, fluvial landforms (valleys, slopes, ridges, periglacial landforms (cryogenic and crionival landforms, biogenic and anthropogenic landforms. This study highlights certain features of the landforms modeled on igneous intrusive bodies with the aim of developing some strategy for tourism recovery by local and county authorities.

  6. Fractal model of anomalous diffusion.

    Science.gov (United States)

    Gmachowski, Lech

    2015-12-01

    An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An explicit formula is derived for the transport coefficient, which is related to the diffusion constant, as dependent on the Brownian step time, and the anomalous diffusion exponent. The model makes it possible to deduce anomalous diffusion properties from experimental data obtained even for short time periods and to estimate the transport coefficient in systems for which the diffusion behavior has been investigated. The results were confirmed for both sub and super-diffusion.

  7. Optically Anomalous Crystals

    CERN Document Server

    Shtukenberg, Alexander; Kahr, Bart

    2007-01-01

    Optical anomalies in crystals are puzzles that collectively constituted the greatest unsolved problems in crystallography in the 19th Century. The most common anomaly is a discrepancy between a crystal’s symmetry as determined by its shape or by X-ray analysis, and that determined by monitoring the polarization state of traversing light. These discrepancies were perceived as a great impediment to the development of the sciences of crystals on the basis of Curie’s Symmetry Principle, the grand organizing idea in the physical sciences to emerge in the latter half of the 19th Century. Optically Anomalous Crystals begins with an historical introduction covering the contributions of Brewster, Biot, Mallard, Brauns, Tamman, and many other distinguished crystallographers. From this follows a tutorial in crystal optics. Further chapters discuss the two main mechanisms of optical dissymmetry: 1. the piezo-optic effect, and 2. the kinetic ordering of atoms. The text then tackles complex, inhomogeneous crystals, and...

  8. DNA structural features of eukaryotic TATA-containing and TATA-less promoters.

    Science.gov (United States)

    Yella, Venkata Rajesh; Bansal, Manju

    2017-03-01

    Eukaryotic genes can be broadly classified as TATA-containing and TATA-less based on the presence of TATA box in their promoters. Experiments on both classes of genes have revealed a disparity in the regulation of gene expression and cellular functions between the two classes. In this study, we report characteristic differences in promoter sequences and associated structural properties of the two categories of genes in six different eukaryotes. We have analyzed three structural features, DNA duplex stability, bendability, and curvature along with the distribution of A-tracts, G-quadruplex motifs, and CpG islands. The structural feature analyses reveal that while the two classes of gene promoters are distinctly different from each other, the properties are also distinguishable across the six organisms.

  9. Longitudinal Validation of General and Specific Structural Features of Personality Pathology

    Science.gov (United States)

    Wright, Aidan G.C.; Hopwood, Christopher J.; Skodol, Andrew E.; Morey, Leslie C.

    2016-01-01

    Theorists have long argued that personality disorder (PD) is best understood in terms of general impairments shared across the disorders as well as more specific instantiations of pathology. A model based on this theoretical structure was proposed as part of the DSM-5 revision process. However, only recently has this structure been subjected to formal quantitative evaluation, with little in the way of validation efforts via external correlates or prospective longitudinal prediction. We used the Collaborative Longitudinal Study of Personality Disorders dataset to: (1) estimate structural models that parse general from specific variance in personality disorder features, (2) examine patterns of growth in general and specific features over the course of 10 years, and (3) establish concurrent and dynamic longitudinal associations in PD features and a host of external validators including basic personality traits and psychosocial functioning scales. We found that general PD exhibited much lower absolute stability and was most strongly related to broad markers of psychosocial functioning, concurrently and longitudinally, whereas specific features had much higher mean stability and exhibited more circumscribed associations with functioning. However, both general and specific factors showed recognizable associations with normative and pathological traits. These results can inform efforts to refine the conceptualization and diagnosis of personality pathology. PMID:27819472

  10. Consumers’ Preferences for Electronic Nicotine Delivery System Product Features: A Structured Content Analysis

    Directory of Open Access Journals (Sweden)

    Christine E. Kistler

    2017-06-01

    Full Text Available To inform potential governmental regulations, we aimed to develop a list of electronic nicotine delivery system (ENDS product features important to U.S. consumers by age and gender. We employed qualitative data methods. Participants were eligible if they had used an ENDS at least once. Groups were selected by age and gender (young adult group aged 18–25, n = 11; middle-age group aged 26–64, n = 9; and women’s group aged 26–64, n = 9. We conducted five individual older adult interviews (aged 68–80. Participants discussed important ENDS features. We conducted a structured content analysis of the group and interview responses. Of 34 participants, 68% were white and 56% were female. Participants mentioned 12 important ENDS features, including: (1 user experience; (2 social acceptability; (3 cost; (4 health risks/benefits; (5 ease of use; (6 flavors; (7 smoking cessation aid; (8 nicotine content; (9 modifiability; (10 ENDS regulation; (11 bridge between tobacco cigarettes; (12 collectability. The most frequently mentioned ENDS feature was modifiability for young adults, user experience for middle-age and older adults, and flavor for the women’s group. This study identified multiple features important to ENDS consumers. Groups differed in how they viewed various features by age and gender. These results can inform ongoing regulatory efforts.

  11. Detecting Structural Features in Metallic Glass via Synchrotron Radiation Experiments Combined with Simulations

    Directory of Open Access Journals (Sweden)

    Gu-Qing Guo

    2015-11-01

    Full Text Available Revealing the essential structural features of metallic glasses (MGs will enhance the understanding of glass-forming mechanisms. In this work, a feasible scheme is provided where we performed the state-of-the-art synchrotron-radiation based experiments combined with simulations to investigate the microstructures of ZrCu amorphous compositions. It is revealed that in order to stabilize the amorphous state and optimize the topological and chemical distribution, besides the icosahedral or icosahedral-like clusters, other types of clusters also participate in the formation of the microstructure in MGs. This cluster-level co-existing feature may be popular in this class of glassy materials.

  12. Dietary iron-loaded rat liver haemosiderin and ferritin: in situ measurement of iron core nanoparticle size and cluster structure using anomalous small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bovell, Eliza; Buckley, Craig E.; Chua-anusorn, Wanida; Cookson, David; Kirby, Nigel; Saunders, Martin; St. Pierre, Timothy G. ((UWA)); ((Curtin U.)); ((ASRP))

    2009-03-16

    The morphology, particle size distribution and cluster structure of the hydrated iron(III) oxyhydroxide particles associated with haemosiderin and ferritin in dietary iron-loaded rat liver tissue have been investigated using transmission electron microscopy (TEM) and anomalous small-angle x-ray scattering (ASAXS). Rat liver tissue was removed from a series of female Porton rats which had been fed an iron-rich diet until sacrifice at various ages from 2-24 months. Hepatic iron concentrations ranged from 1 to 65 mg Fe g{sup -1} dry tissue. TEM studies showed both dispersed and clustered iron-containing nanoparticles. The dispersed particles were found to have mean sizes ({+-}standard deviation) of 54 {+-} 8 {angstrom} for the iron-loaded animals and 55 {+-} 7 {angstrom} for the controls. Superposition of particles in TEM images prevented direct measurement of nanoparticulate size in the clusters. The ASAXS data were modelled to provide a quantitative estimate of both the size and spacing of iron oxyhydroxide particles in the bulk samples. The modelling yielded close-packed particles with sizes of 60 to 78 {angstrom} which when corrected for anomalous scattering suggests sizes from 54 to 70 {angstrom}. Particle size distributions are of particular importance since they determine the surface iron to core iron ratios, which in turn are expected to be related to the molar toxicity of iron deposits in cells.

  13. Modeling the amorphous structure of mechanically alloyed Ti{sub 50}Ni{sub 25}Cu{sub 25} using anomalous wide-angle x-ray scattering and reverse Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lima, J.C. de, E-mail: fsc1jcd@fisica.ufsc.br [Departamento de Física, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Poffo, C.M. [Departamento de Engenharia Mecânica, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Souza, S.M. [Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Machado, K.D. [Departamento de Física, Centro Politécnico, Universidade Federal do Paraná, 81531-990 Curitiba, Paraná (Brazil); Trichês, D.M. [Departamento de Física, Universidade Federal do Amazonas, 3000 Japiim, 69077-000 Manaus, Amazonas (Brazil); Grandi, T.A. [Departamento de Física, Universidade Federal de Santa Catarina, Campus Universitário Trindade, S/N, C.P. 476, 88040-900 Florianópolis, Santa Catarina (Brazil); Biasi, R.S. de [Seção de Engenharia Mecânica e de Materiais, Instituto Militar de Engenharia, 22290-270 Rio de Janeiro, RJ (Brazil)

    2013-09-01

    An amorphous Ti{sub 50}Ni{sub 25}Cu{sub 25} alloy was produced by 19 h of mechanical alloying. Anomalous wide angle x-ray scattering data were collected at six energies and six total scattering factors were obtained. By considering the data collected at two energies close to the Ni and Cu K edges, two differential anomalous scattering factors about the Ni and Cu atoms were obtained, showing that the chemical environments around these atoms are different. Eight factors were used as input data to the reverse Monte Carlo method used to compute the partial structure factors S{sub Ti3Ti}(K), S{sub Ti–Cu}(K), S{sub Ti–Ni}(K), S{sub Cu3Cu}(K), S{sub Cu–Ni}(K) and S{sub Ni–Ni}(K) and the partial pair distribution functions G{sub Ti3Ti}(r), G{sub Ti–Cu}(r), G{sub Ti–Ni}(r), G{sub Cu3Cu}(r), G{sub Cu–Ni}(r) and G{sub Ni–Ni}(r). From the RMC final atomic configuration and G{sub ij}(r) functions, the coordination numbers and interatomic atomic distances for the first neighbors were determined.

  14. Rapid detection and quantification of features such as damage or flaws in composite and metallic structures

    Science.gov (United States)

    Farley, Gary L. (Inventor); Smith, Barry T. (Inventor); Zalameda, Joseph N. (Inventor); Winfree, William P. (Inventor)

    1992-01-01

    An apparatus, system, and method for non-destructible evaluation (NDE) of a material use thermography to rapidly detect and/or generally locate a feature such as, for example, damage or a defect in the material. The apparatus, system, and method also use ultrasound to specifically locate the feature in the material for quantification and/or evaluation either by an operator or by an external device suited for such purpose. Accordingly, the apparatus, system and method are particularly useful for NDE in applications such as the analysis of the structure of an aircraft, for example, in which the scale of the material to be analyzed is large, thus requiring the rapid NDE afforded by thermography, and in which quantification and/or evaluation of a feature must be performed with precision, thus requiring the relatively high-resolution NDE afforded by ultrasound.

  15. Assessment of metal ion concentration in water with structured feature selection.

    Science.gov (United States)

    Naula, Pekka; Airola, Antti; Pihlasalo, Sari; Montoya Perez, Ileana; Salakoski, Tapio; Pahikkala, Tapio

    2017-10-01

    We propose a cost-effective system for the determination of metal ion concentration in water, addressing a central issue in water resources management. The system combines novel luminometric label array technology with a machine learning algorithm that selects a minimal number of array reagents (modulators) and liquid sample dilutions, such that enable accurate quantification. The algorithm is able to identify the optimal modulators and sample dilutions leading to cost reductions since less manual labour and resources are needed. Inferring the ion detector involves a unique type of a structured feature selection problem, which we formalize in this paper. We propose a novel Cartesian greedy forward feature selection algorithm for solving the problem. The novel algorithm was evaluated in the concentration assessment of five metal ions and the performance was compared to two known feature selection approaches. The results demonstrate that the proposed system can assist in lowering the costs with minimal loss in accuracy. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Associations' Agreement and the interest of the network suppliers. The strategic use of structural features

    International Nuclear Information System (INIS)

    Wein, Thomas

    2005-01-01

    The EU electricity directive (96/92/EC) established the right of the member states to choose between Regulated and Negotiated Third Party Access (RTPA and NTPA). The interest group theory is able to explain whether the introduction of NTPA in Germany had been an interest group equilibrium under the restriction of EU-directive. Using the NTPA associations of electricity power suppliers, network monopolists and industrial consumers negotiated three agreements. The last one (AA VVIII+) in December 2001 introduced a market comparison scheme with three structural features: ''East-/West-Germany'', ''consumption/population density'', and ''cable rate''. These features are variables which are supposed to reflect cost differences between network suppliers. The theoretical analysis will derive the hypothesis that this conception allows to introduce a cost irrelevant factor and therefore to increase prices without harming firms which do not hold this factor. This hypothesis could be tested by analyzing the German low and medium voltage network suppliers in 2002 and 2003. Our estimations show that the use of structural feature ''East-/West Germany'' and ''consumption/population density'' could be explained by this hypothesis. But because we have no firm specific information about cost differences other explanations could not be excluded: Monopoly prices differ with marginal costs, and regulation could reflect real cost differences. The third structural feature ''cable rate'' has no influence in low voltage networks, but has an impact on access charges levied in medium voltage networks. This relationship is only given if we use the borderlines given by AA VVIII+. Hence, we are not able to reject the interest group theory: The feature ''cable rate'' was introduced successfully to increase access charges for medium network suppliers which have high cable rates without having higher costs. (Author)

  17. The role of emotion in musical improvisation: an analysis of structural features.

    Science.gov (United States)

    McPherson, Malinda J; Lopez-Gonzalez, Monica; Rankin, Summer K; Limb, Charles J

    2014-01-01

    One of the primary functions of music is to convey emotion, yet how music accomplishes this task remains unclear. For example, simple correlations between mode (major vs. minor) and emotion (happy vs. sad) do not adequately explain the enormous range, subtlety or complexity of musically induced emotions. In this study, we examined the structural features of unconstrained musical improvisations generated by jazz pianists in response to emotional cues. We hypothesized that musicians would not utilize any universal rules to convey emotions, but would instead combine heterogeneous musical elements together in order to depict positive and negative emotions. Our findings demonstrate a lack of simple correspondence between emotions and musical features of spontaneous musical improvisation. While improvisations in response to positive emotional cues were more likely to be in major keys, have faster tempos, faster key press velocities and more staccato notes when compared to negative improvisations, there was a wide distribution for each emotion with components that directly violated these primary associations. The finding that musicians often combine disparate features together in order to convey emotion during improvisation suggests that structural diversity may be an essential feature of the ability of music to express a wide range of emotion.

  18. The role of emotion in musical improvisation: an analysis of structural features.

    Directory of Open Access Journals (Sweden)

    Malinda J McPherson

    Full Text Available One of the primary functions of music is to convey emotion, yet how music accomplishes this task remains unclear. For example, simple correlations between mode (major vs. minor and emotion (happy vs. sad do not adequately explain the enormous range, subtlety or complexity of musically induced emotions. In this study, we examined the structural features of unconstrained musical improvisations generated by jazz pianists in response to emotional cues. We hypothesized that musicians would not utilize any universal rules to convey emotions, but would instead combine heterogeneous musical elements together in order to depict positive and negative emotions. Our findings demonstrate a lack of simple correspondence between emotions and musical features of spontaneous musical improvisation. While improvisations in response to positive emotional cues were more likely to be in major keys, have faster tempos, faster key press velocities and more staccato notes when compared to negative improvisations, there was a wide distribution for each emotion with components that directly violated these primary associations. The finding that musicians often combine disparate features together in order to convey emotion during improvisation suggests that structural diversity may be an essential feature of the ability of music to express a wide range of emotion.

  19. The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage

    DEFF Research Database (Denmark)

    Skjoldager, Nicklas; Bang, Maria Blanner; Rykær, Martin

    2017-01-01

    The NADPH-dependent homodimeric flavoenzyme thioredoxin reductase (TrxR) provides reducing equivalents to thioredoxin, a key regulator of various cellular redox processes. Crystal structures of photo-inactivated thioredoxin reductase (TrxR) from the Gram-positive bacterium Lactococcus lactis have...... been determined. These structures reveal novel molecular features that provide further insight into the mechanisms behind the sensitivity of this enzyme toward visible light. We propose that a pocket on the si-face of the isoalloxazine ring accommodates oxygen that reacts with photo-excited FAD...... thus be a widespread feature among bacterial TrxR with the described characteristics, which affords applications in clinical photo-therapy of drug-resistant bacteria....

  20. Evaluation of Waveform Structure Features on Time Domain Target Recognition under Cross Polarization

    Science.gov (United States)

    Selver, M. A.; Seçmen, M.; Zoral, E. Y.

    2016-08-01

    Classification of aircraft targets from scattered electromagnetic waves is a challenging application, which suffers from aspect angle dependency. In order to eliminate the adverse effects of aspect angle, various strategies were developed including the techniques that rely on extraction of several features and design of suitable classification systems to process them. Recently, a hierarchical method, which uses features that take advantage of waveform structure of the scattered signals, is introduced and shown to have effective results. However, this approach has been applied to the special cases that consider only a single planar component of electric field that cause no-cross polarization at the observation point. In this study, two small scale aircraft models, Boeing-747 and DC-10, are selected as the targets and various polarizations are used to analyse the cross-polarization effects on system performance of the aforementioned method. The results reveal the advantages and the shortcomings of using waveform structures in time-domain target identification.

  1. Discriminant features and temporal structure of nonmanuals in American Sign Language.

    Directory of Open Access Journals (Sweden)

    C Fabian Benitez-Quiroz

    Full Text Available To fully define the grammar of American Sign Language (ASL, a linguistic model of its nonmanuals needs to be constructed. While significant progress has been made to understand the features defining ASL manuals, after years of research, much still needs to be done to uncover the discriminant nonmanual components. The major barrier to achieving this goal is the difficulty in correlating facial features and linguistic features, especially since these correlations may be temporally defined. For example, a facial feature (e.g., head moves down occurring at the end of the movement of another facial feature (e.g., brows moves up, may specify a Hypothetical conditional, but only if this time relationship is maintained. In other instances, the single occurrence of a movement (e.g., brows move up can be indicative of the same grammatical construction. In the present paper, we introduce a linguistic-computational approach to efficiently carry out this analysis. First, a linguistic model of the face is used to manually annotate a very large set of 2,347 videos of ASL nonmanuals (including tens of thousands of frames. Second, a computational approach is used to determine which features of the linguistic model are more informative of the grammatical rules under study. We used the proposed approach to study five types of sentences--Hypothetical conditionals, Yes/no questions, Wh-questions, Wh-questions postposed, and Assertions--plus their polarities--positive and negative. Our results verify several components of the standard model of ASL nonmanuals and, most importantly, identify several previously unreported features and their temporal relationship. Notably, our results uncovered a complex interaction between head position and mouth shape. These findings define some temporal structures of ASL nonmanuals not previously detected by other approaches.

  2. An optimized variational mode decomposition for extracting weak feature of viscoelastic sandwich cylindrical structures

    Science.gov (United States)

    Guo, Yanfei; Zhang, Zhousuo; Cao, Jianbin; Gong, Teng; Yang, Wenzhan

    2018-03-01

    Variational mode decomposition (VMD), which is an alternative to empirical mode decomposition (EMD), has been widely used to extract the feature components of nonstationary signals. However, as a parameterized method, the performance of VMD is heavily influenced by its parameters. Meanwhile, it cannot efficiently extract weak feature components submerged in powerful ones. To address these problems, a novel method based on an optimized VMD is developed for precisely extracting the weak feature of viscoelastic sandwich cylindrical structures (VSCSs). In this method, a parameter optimization algorithm first is proposed to simultaneously select the crucial parameters in the VMD, and to reveal the characteristics of the influence of these parameters on the decomposition performance. Then, the weak feature components submerged in low-frequency strong ones are extracted twice by using the VMD with the optimized parameters. The effectiveness of the proposed method is verified by simulation signals and the experiment vibration signal collected from the VSCS. Its robustness to noise is also discussed. The results indicate that the parameter optimization algorithm can adaptively obtain optimal parameters, and compared with the optimized complementary ensemble EMD (CEEMD) and the original VMD, the proposed method can precisely extract the weak feature components submerged in strong ones.

  3. The Role of Emotion in Musical Improvisation: An Analysis of Structural Features

    OpenAIRE

    McPherson, Malinda J.; Lopez-Gonzalez, Monica; Rankin, Summer K.; Limb, Charles J.

    2014-01-01

    One of the primary functions of music is to convey emotion, yet how music accomplishes this task remains unclear. For example, simple correlations between mode (major vs. minor) and emotion (happy vs. sad) do not adequately explain the enormous range, subtlety or complexity of musically induced emotions. In this study, we examined the structural features of unconstrained musical improvisations generated by jazz pianists in response to emotional cues. We hypothesized that musicians would not u...

  4. Crystal structure features in a new compound C4B25Mg1.42

    Science.gov (United States)

    Konovalikhin, S. V.; Ponomarev, V. I.

    2015-09-01

    The composition of C4B25Mg1.42 crystal obtained by self-propagating high-temperature synthesis was determined using X-ray diffraction. This is the first crystalline structure where all boron atoms in the В12 icosahedron occupy crystallographically independent positions; this circumstance allowed us to analyze the effect of substituents on bond lengths in the icosahedron. The crystal structure features, including the channels filled with disordered Mg atoms and the spread of В—В endo- and exo-bond lengths in the icosahedra, are described. A crystallochemical analysis of pair bonds has been performed for the first time.

  5. Morphological features and mechanics of destruction of materials with different structures under impact drop cyclic loading

    Directory of Open Access Journals (Sweden)

    Varavka Valery N.

    2017-01-01

    Full Text Available The process of erosion destruction of steels with austenitic, sorbitol and martensitic structure under the influence of high-speed liquid-drop collisions is studied. The characteristics of the morphological features and mechanisms of the process of surface degradation of steels with different structures are given. Their classification criterion is proposed on the basis of the diagrams of limiting states. Based on the theory of Paris-Erdogan, the computational and analytical model of the fatigue fracture of martensitic steel has been developed.

  6. Adaptive cellular structures and devices with internal features for enhanced structural performance

    Science.gov (United States)

    Pontecorvo, Michael Eugene

    This dissertation aims to develop a family of cellular and repeatable devices that exhibit a variety of force-displacement behaviors. It is envisioned that these cellular structures might be used either as stand-alone elements, or combined and repeated to create multiple types of structures (i.e. buildings, ship hulls, vehicle subfloors, etc.) with the ability to passively or actively perform multiple functions (harmonic energy dissipation, impact mitigation, modulus change) over a range of loading types, amplitudes, and frequencies. To accomplish this goal, this work combines repeatable structural frameworks, such as that provided by a hexagonal cellular structure, with internal structural elements such as springs, viscous dampers, buckling plates, bi-stable von Mises trusses (VMTs), and pneumatic artificial muscles (PAMs). The repeatable framework serves to position damping and load carrying elements throughout the structure, and the configuration of the internal elements allow each cell to be tuned to exhibit a desired force-displacement response. Therefore, gradient structures or structures with variable load paths can be created for an optimal global response to a range of loads. This dissertation focuses on the development of cellular structures for three functions: combined load-carrying capability with harmonic energy dissipation, impact mitigation, and cell modulus variation. One or more conceptual designs are presented for devices that can perform each of these functions, and both experimental measurements and simulations are used to gain a fundamental understanding of each device. Chapter 2 begins with a presentation of a VMT model that is the basis for many of the elements. The equations of motion for the VMT are derived and the static and dynamic behavior of the VMT are discussed in detail. Next, two metrics for the energy dissipation of the VMT - hysteresis loop area and loss factor - are presented. The responses of the VMT to harmonic displacement

  7. A new approach to the structural features of the Aegean Sea: Cellular neural network

    Science.gov (United States)

    Aydogan, Davut; Elmas, Ali; Albora, A. Muhittin; Ucan, Osman N.

    2005-03-01

    In this study, structural features in the Aegean Sea were investigated by application of Cellular Neural Network (CNN) and Cross-Correlation methods to the gravity anomaly map. CNN is a stochastic image processing technique, which is based on template optimization using neighbourhood relationships of pixels, and probabilistic properties of two-Dimensional (2-D) input data. The performance of CNN can be evaluated by various interesting real applications in geophysics such as edge detection, data enhancement and separation of regional/residual potential anomaly maps. In this study, CNN is used in edge detection of geological bodies closer to the surface, which are masked by other structures with various depths and dimensions. CNN was first tested for (prismatic) synthetic examples and satisfactory results were obtained. Subsequently, CNN/Cross-Correlation maps and bathymetric features were evaluated together to obtain a new structural map for most of the Aegean Sea. In our structural map, the locations of the faults and basins are generally in accordance with the previous maps from restricted areas based on seismic data. In the southern and southeastern parts of the Aegean Sea, E-W trending faults cut NE-SW trending basins and faults, similar to on-shore Western Anatolia. Also, in the western, central and northern parts of the Aegean Sea, all of these structures are truncated by NE-trending faults.

  8. Unraveling the differential structural stability and dynamics features of T7 endolysin partially folded conformations.

    Science.gov (United States)

    Sharma, Meenakshi; Kumar, Dinesh; Poluri, Krishna Mohan

    2018-04-01

    Characterization of partially collapsed protein conformations at atomic level is a daunting task due to their inherent flexibility and conformational heterogeneity. T7 bacteriophage endolysin (T7L) is a single-domain amidase that facilitates the lysis of Gram-negative bacteria. T7L exhibits a pH-dependent structural transition from native state to partially folded (PF) conformation. In the pH range 5-3, T7L PF states display differential ANS binding characteristics. CD, fluorescence, NMR spectroscopy and lysis assays were used to investigate the structure-stability- dynamics relationships of T7L PF conformations. Structural studies indicated a partial loss of secondary/tertiary structures compared to its native state. The loss in the tertiary structure and the hydrophobic core opening increases upon decrease of pH from 5 to 3. Thermal denaturation experiments delineated that the pH 5 conformation is thermally irreversible in contrast to pH 3, depicting that hydrophobic core opening is essential for thermal reversibility. Further, urea dependent unfolding features of PF state at pH 5 and 4 evidenced for a collapsed conformation at intermediate urea concentrations. Residue level studies revealed that α1-helix and β3-β4 segment of T7L are the major contributors for such a structural collapse and inherent dynamics. The results suggested that the low pH PF states of T7L are heterogeneous and exhibits differential structural, unfolding, thermal reversibility, and dynamic features. Unraveling the structure-stability characteristics of different endolysin conformations is essential for designing novel chimeric and engineered phage endolysins as broadband antimicrobial agents over a varied pH range. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Renewal-anomalous-heterogeneous files

    International Nuclear Information System (INIS)

    Flomenbom, Ophir

    2010-01-01

    Renewal-anomalous-heterogeneous files are solved. A simple file is made of Brownian hard spheres that diffuse stochastically in an effective 1D channel. Generally, Brownian files are heterogeneous: the spheres' diffusion coefficients are distributed and the initial spheres' density is non-uniform. In renewal-anomalous files, the distribution of waiting times for individual jumps is not exponential as in Brownian files, yet obeys: ψ α (t)∼t -1-α , 0 2 >, obeys, 2 >∼ 2 > nrml α , where 2 > nrml is the MSD in the corresponding Brownian file. This scaling is an outcome of an exact relation (derived here) connecting probability density functions of Brownian files and renewal-anomalous files. It is also shown that non-renewal-anomalous files are slower than the corresponding renewal ones.

  10. Detection and analysis of unusual features in the structural model and structure-factor data of a birch pollen allergen.

    Science.gov (United States)

    Rupp, Bernhard

    2012-04-01

    Physically improbable features in the model of the birch pollen structure Bet v 1d (PDB entry 3k78) are faithfully reproduced in electron density generated with the deposited structure factors, but these structure factors themselves exhibit properties that are characteristic of data calculated from a simple model and are inconsistent with the data and error model obtained through experimental measurements. The refinement of the 3k78 model against these structure factors leads to an isomorphous structure different from the deposited model with an implausibly small R value (0.019). The abnormal refinement is compared with normal refinement of an isomorphous variant structure of Bet v 1l (PDB entry 1fm4). A variety of analytical tools, including the application of Diederichs plots, Rσ plots and bulk-solvent analysis are discussed as promising aids in validation. The examination of the Bet v 1d structure also cautions against the practice of indicating poorly defined protein chain residues through zero occupancies. The recommendation to preserve diffraction images is amplified. © 2012 International Union of Crystallography. All rights reserved.

  11. Anomalous magnetoresistance in amorphous metals

    International Nuclear Information System (INIS)

    Kuz'menko, V.M.; Vladychkin, A.N.; Mel'nikov, V.I.; Sudovtsev, A.I.

    1984-01-01

    The magnetoresistance of amorphous Bi, Ca, V and Yb films is investigated in fields up to 4 T at low temperatures. For all metals the magnetoresistance is positive, sharply decreases with growth of temperature and depends anomalously on the magnetic field strength. For amorphous superconductors the results agree satisfactorily with the theory of anomalous magnetoresistance in which allowance is made for scattering of electrons by the superconducting fluctuations

  12. Expanded potential of seleno-carbohydrates as a molecular tool for X-ray structural determination of a carbohydrate-protein complex with single/multi-wavelength anomalous dispersion phasing.

    Science.gov (United States)

    Suzuki, Tatsuya; Makyio, Hisayoshi; Ando, Hiromune; Komura, Naoko; Menjo, Masanori; Yamada, Yusuke; Imamura, Akihiro; Ishida, Hideharu; Wakatsuki, Soichi; Kato, Ryuichi; Kiso, Makoto

    2014-04-01

    Seleno-lactoses have been successfully synthesized as candidates for mimicking carbohydrate ligands for human galectin-9 N-terminal carbohydrate recognition domain (NCRD). Selenium was introduced into the mono- or di-saccharides using p-methylselenobenzoic anhydride (Tol2Se) as a novel selenating reagent. The TolSe-substituted monosaccharides were converted into selenoglycosyl donors or acceptors, which were reacted with coupling partners to afford seleno-lactoses. The seleno-lactoses were converted to the target compounds. The structure of human galectin-9 NCRD co-crystallized with 6-MeSe-lactose was determined with single/multi-wavelength anomalous dispersion (SAD/MAD) phasing and was similar to that of the co-crystal with natural lactose. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Exploring membrane protein structural features by oxidative labeling and mass spectrometry.

    Science.gov (United States)

    Konermann, Lars; Pan, Yan

    2012-10-01

    Despite their biological importance, the structural characterization of integral membrane proteins (IMPs) by x-ray crystallography and NMR spectroscopy remains challenging. Hence, there is a need for complementary approaches that are capable of probing IMP conformational features in a robust fashion. Covalent labeling relies on the principle that solvent accessible regions can be modified by reactive species, whereas buried segments are protected. The readout of the labeling pattern is conducted by mass spectrometry. Hydroxyl radical (·OH) introduces oxidative modifications at amino acid side chains. In this article, the authors discuss the application of ·OH labeling for the structural interrogation of IMPs. Kyte-Doolittle hydropathy analyses are widely used for generating IMP topology models. The validation of these models by mutational techniques is labor intensive. ·OH labeling can readily distinguish transmembrane elements from solvent-exposed loops, thereby providing an alternative topology validation tool. For IMPs with published crystal structures, oxidative modifications can report on functionally relevant dynamic features that are invisible in the static x-ray data. The coupling of pulsed ·OH labeling with rapid mixing techniques represents a novel approach for studying IMP folding kinetics. In conclusion, ·OH labeling is a versatile tool that can provide insights into the structure and dynamics of IMPs.

  14. Common structural features of cholesterol binding sites in crystallized soluble proteins.

    Science.gov (United States)

    Bukiya, Anna N; Dopico, Alejandro M

    2017-06-01

    Cholesterol-protein interactions are essential for the architectural organization of cell membranes and for lipid metabolism. While cholesterol-sensing motifs in transmembrane proteins have been identified, little is known about cholesterol recognition by soluble proteins. We reviewed the structural characteristics of binding sites for cholesterol and cholesterol sulfate from crystallographic structures available in the Protein Data Bank. This analysis unveiled key features of cholesterol-binding sites that are present in either all or the majority of sites: i ) the cholesterol molecule is generally positioned between protein domains that have an organized secondary structure; ii ) the cholesterol hydroxyl/sulfo group is often partnered by Asn, Gln, and/or Tyr, while the hydrophobic part of cholesterol interacts with Leu, Ile, Val, and/or Phe; iii ) cholesterol hydrogen-bonding partners are often found on α-helices, while amino acids that interact with cholesterol's hydrophobic core have a slight preference for β-strands and secondary structure-lacking protein areas; iv ) the steroid's C21 and C26 constitute the "hot spots" most often seen for steroid-protein hydrophobic interactions; v ) common "cold spots" are C8-C10, C13, and C17, at which contacts with the proteins were not detected. Several common features we identified for soluble protein-steroid interaction appear evolutionarily conserved. Copyright © 2017 by the American Society for Biochemistry and Molecular Biology, Inc.

  15. Unique structural features and sequence motifs of proline utilization A (PutA).

    Science.gov (United States)

    Singh, Ranjan K; Tanner, John J

    2012-01-01

    Proline utilization A proteins (PutAs) are bifunctional enzymes that catalyze the oxidation of proline to glutamate using spatially separated proline dehydrogenase and pyrroline-5-carboxylate dehydrogenase active sites. Here we use the crystal structure of the minimalist PutA from Bradyrhizobium japonicum (BjPutA) along with sequence analysis to identify unique structural features of PutAs. This analysis shows that PutAs have secondary structural elements and domains not found in the related monofunctional enzymes. Some of these extra features are predicted to be important for substrate channeling in BjPutA. Multiple sequence alignment analysis shows that some PutAs have a 17-residue conserved motif in the C-terminal 20-30 residues of the polypeptide chain. The BjPutA structure shows that this motif helps seal the internal substrate-channeling cavity from the bulk medium. Finally, it is shown that some PutAs have a 100-200 residue domain of unknown function in the C-terminus that is not found in minimalist PutAs. Remote homology detection suggests that this domain is homologous to the oligomerization beta-hairpin and Rossmann fold domain of BjPutA.

  16. Features of Inner Structure of Placer Gold of the North-Eastern Part Siberian Platform

    Science.gov (United States)

    Gerasimov, Boris; Zhuravlev, Anatolii; Ivanov, Alexey

    2017-12-01

    Mineral and raw material base of placer and ore gold is based on prognosis evaluation, which allows to define promising areas regarding gold-bearing deposit prospecting. But there are some difficulties in gold primary source predicting and prospecting at the North-east Siberian platform, because the studied area is overlapped by thick cover of the Cenozoic deposits, where traditional methods of gold deposit prospecting are ineffective. In this connection, detailed study of typomorphic features of placer gold is important, because it contains key genetic information, necessary for development of mineralogical criteria of prognosis evaluation of ore gold content. Authors studied mineralogical-geochemical features of placer gold of the Anabar placer area for 15 years, with a view to identify indicators of gold, typical for different formation types of primary sources. This article presents results of these works. In placer regions, where primary sources of gold are not identified, there is need to study typomorphic features of placer gold, because it contains important genetic information, necessary for the development of mineralogical criteria of prognosis evaluation of ore gold content. Inner structures of gold from the Anabar placer region are studied, as one of the diagnostic typomorphic criteria as described in prominent method, developed by N.V. Petrovskaya [1980]. Etching of gold was carried out using reagent: HCl + HNO3 + FeCl3 × 6H2O + CrO3 +thioureat + water. Identified inner structures wer studied in details by means of scanning electron microscope JEOL JSM-6480LV. Two types of gold are identified according to the features of inner structure of placer gold of the Anabar region. First type – medium-high karat fine, well processed gold with significantly changed inner structure. This gold is allochthonous, which was redeposited many times from ancient intermediate reservoirs to younger deposits. Second type – low-medium karat, poorly rounded gold with

  17. Anomalous diffusion process applied to magnetic resonance image enhancement

    Science.gov (United States)

    Senra Filho, A. C. da S.; Garrido Salmon, C. E.; Murta Junior, L. O.

    2015-03-01

    Diffusion process is widely applied to digital image enhancement both directly introducing diffusion equation as in anisotropic diffusion (AD) filter, and indirectly by convolution as in Gaussian filter. Anomalous diffusion process (ADP), given by a nonlinear relationship in diffusion equation and characterized by an anomalous parameters q, is supposed to be consistent with inhomogeneous media. Although classic diffusion process is widely studied and effective in various image settings, the effectiveness of ADP as an image enhancement is still unknown. In this paper we proposed the anomalous diffusion filters in both isotropic (IAD) and anisotropic (AAD) forms for magnetic resonance imaging (MRI) enhancement. Filters based on discrete implementation of anomalous diffusion were applied to noisy MRI T2w images (brain, chest and abdominal) in order to quantify SNR gains estimating the performance for the proposed anomalous filter when realistic noise is added to those images. Results show that for images containing complex structures, e.g. brain structures, anomalous diffusion presents the highest enhancements when compared to classical diffusion approach. Furthermore, ADP presented a more effective enhancement for images containing Rayleigh and Gaussian noise. Anomalous filters showed an ability to preserve anatomic edges and a SNR improvement of 26% for brain images, compared to classical filter. In addition, AAD and IAD filters showed optimum results for noise distributions that appear on extreme situations on MRI, i.e. in low SNR images with approximate Rayleigh noise distribution, and for high SNR images with Gaussian or non central χ noise distributions. AAD and IAD filter showed the best results for the parametric range 1.2 MRI. This study indicates the proposed anomalous filters as promising approaches in qualitative and quantitative MRI enhancement.

  18. Structural features of the spermatozoon of a passeridan bird, the Carib grackle, Quiscalus lugubris.

    Science.gov (United States)

    Aire, Tom A; du Plessis, Lizette; Deokar, Mahesh S; Rennie, Eugene; Gupta, Sunil K

    2017-04-01

    The spermatozoon of the Carib grackle, Quiscalus lugubris, a member of the family Icteridae, is generally similar in organization to the passerine-type of spermatozoon, in being highly elongated and displaying a helical structure of the acrosome, nucleus and principal piece of the tail. There are subtle variations in acrosomal structural features between this organelle in the grackle and that in some of the very few passerine species of birds in which the spermatozoon has been studied. The proximal centriole is present, and, thus, the Carib grackle is the third passeridan bird in which this organelle, hitherto regarded as absent in passerine birds, has been described in the spermatozoon. The spermatozoon of this bird also possesses a granular helix, which feature has been found variably even in the scanty available reports on passerine spermatozoa. It is advocated that the spermatozoon be studied in many more species of this large clade of birds. This report provides a basis for the study of spermiogenesis in the Carib grackle, with the aim of exposing, inter alia, a number of developmental features and processes of certain organelles that have received attention, recently, in the spermatozoa of passerine birds. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Structural-phenomenological features of the internal picture of doctors’ illnesses

    Directory of Open Access Journals (Sweden)

    Lazarenko, Victor A.

    2016-06-01

    Full Text Available The vocational activities of doctors and their social status do not ensure their health. And, falling ill, doctors don’t identify themselves with ordinary patients as they have a deep knowledge of medicine. Thus, the internal picture of a doctor’s illness is both a research and a practical problem: the problem of the psychoprevention of doctors’ illnesses at all stages of their professionalization. The purpose of the research was to study the phenomenological features of the internal picture of doctors’ illnesses using the structural approach. The total number of participants was 132. The experimental group consisted of 66 sick doctors, differentiated according to their stage of professionalization: vocational training (students, professional adaptation (interns, full professionalization (doctors. The control group consisted of 66 people who did not have any medical education. All the control subjects were hospitalized with chronic diseases during the study period. The organization of the research was carried out with the use of clinical-psychological and diagnostic methods, the methods of descriptive statistics, and comparative, multidimensional, and structural analysis. The research revealed the following phenomenological features of the internal picture of doctors’ illnesses: the prevalence of some anxiety in the doctors and high awareness of their health; the doctors’ altruistic orientation; their willingness to work despite difficulties; and their ability to achieve high results in different activities. The structural features of the doctors’ image of their own diseases on the cognitive level were the following: qualitative heterogeneity during in-service activities; a high degree of image integration during in-service activities; and stereotyped perceptions of the disease. The emotional level revealed the emotional distance between doctors and their patients, and the behavioral level revealed doctors’ disregard for the

  20. Biomechanical and structural features of CS2 fimbriae of enterotoxigenic Escherichia coli.

    Science.gov (United States)

    Mortezaei, Narges; Singh, Bhupender; Zakrisson, Johan; Bullitt, Esther; Andersson, Magnus

    2015-07-07

    Enterotoxigenic Escherichia coli (ETEC) are a major cause of diarrhea worldwide, and infection of children in under-developed countries often leads to high mortality rates. Isolated ETEC expresses a plethora of colonization factors (fimbriae/pili), of which CFA/I and CFA/II, which are assembled via the alternate chaperone pathway (ACP), are among the most common. Fimbriae are filamentous structures whose shafts are primarily composed of helically arranged single pilin-protein subunits, with a unique biomechanical ability to unwind and rewind. A sustained ETEC infection, under adverse conditions of dynamic shear forces, is primarily attributed to this biomechanical feature of ETEC fimbriae. Recent understanding about the role of fimbriae as virulence factors points to an evolutionary adaptation of their structural and biomechanical features. In this work, we investigated the biophysical properties of CS2 fimbriae from the CFA/II group. Homology modeling of its major structural subunit, CotA, reveals structural clues related to the niche in which they are expressed. Using optical-tweezers force spectroscopy, we found that CS2 fimbriae unwind at a constant force of 10 pN and have a corner velocity (i.e., the velocity at which the force required for unwinding rises exponentially with increased speed) of 1300 nm/s. The biophysical properties of CS2 fimbriae assessed in this work classify them into a low-force unwinding group of fimbriae together with the CFA/I and CS20 fimbriae expressed by ETEC strains. The three fimbriae are expressed by ETEC, colonize in similar gut environments, and exhibit similar biophysical features, but differ in their biogenesis. Our observation suggests that the environment has a strong impact on the biophysical characteristics of fimbriae expressed by ETEC. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  1. Guiding exploration in conformational feature space with Lipschitz underestimation for ab-initio protein structure prediction.

    Science.gov (United States)

    Hao, Xiaohu; Zhang, Guijun; Zhou, Xiaogen

    2018-04-01

    Computing conformations which are essential to associate structural and functional information with gene sequences, is challenging due to the high dimensionality and rugged energy surface of the protein conformational space. Consequently, the dimension of the protein conformational space should be reduced to a proper level, and an effective exploring algorithm should be proposed. In this paper, a plug-in method for guiding exploration in conformational feature space with Lipschitz underestimation (LUE) for ab-initio protein structure prediction is proposed. The conformational space is converted into ultrafast shape recognition (USR) feature space firstly. Based on the USR feature space, the conformational space can be further converted into Underestimation space according to Lipschitz estimation theory for guiding exploration. As a consequence of the use of underestimation model, the tight lower bound estimate information can be used for exploration guidance, the invalid sampling areas can be eliminated in advance, and the number of energy function evaluations can be reduced. The proposed method provides a novel technique to solve the exploring problem of protein conformational space. LUE is applied to differential evolution (DE) algorithm, and metropolis Monte Carlo(MMC) algorithm which is available in the Rosetta; When LUE is applied to DE and MMC, it will be screened by the underestimation method prior to energy calculation and selection. Further, LUE is compared with DE and MMC by testing on 15 small-to-medium structurally diverse proteins. Test results show that near-native protein structures with higher accuracy can be obtained more rapidly and efficiently with the use of LUE. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Influence of some structural features of a coal on its tendency to undergo reduction

    Energy Technology Data Exchange (ETDEWEB)

    Grigor' eva, E.A.; Bakirova, E.V.; Lesnikova, E.B.; Larina, N.K.; Zharova, M.N.; Dzhalyabova, L.V.

    1981-01-01

    Among the many factors determining the depth of conversion of a coal on hydrogenation, various structural features and, in particular, the nature and number of the labile oxygen-containing structures and bridge bonds, have an influence. There are statements that a direct relationship exists between the activity of a coal in destructive hydrogenation and the amount of oxygen in the ether/ester form, and also the nature of the bond of the mineral fraction of the coal with the organic constituents. The present paper is devoted to an investigation of the dependence of the tendancy of coal to undergo hydrogenation on the nature and number of the ether/ester and organomineral bonds in the structure of the coal. In experiments the researchers used the hydrolytic destruction of the coals and subsequent selective hydrogeneatin with sodium tetrahydroborate. 17 refs.

  3. Bioclogging in Porous Media: Preferential Flow Paths and Anomalous Transport

    Science.gov (United States)

    Holzner, M.; Carrel, M.; Morales, V.; Derlon, N.; Beltran, M. A.; Morgenroth, E.; Kaufmann, R.

    2016-12-01

    Biofilms are sessile communities of microorganisms held together by an extracellular polymeric substance that enables surface colonization. In porous media (e.g. soils, trickling filters etc.) biofilm growth has been shown to affect the hydrodynamics in a complex fashion at the pore-scale by clogging individual pores and enhancing preferential flow pathways and anomalous transport. These phenomena are a direct consequence of microbial growth and metabolism, mass transfer processes and complex flow velocity fields possibly exhibiting pronounced three-dimensional features. Despite considerable past work, however, it is not fully understood how bioclogging interacts with flow and mass transport processes in porous media. In this work we use imaging techniques to determine the flow velocities and the distribution of biofilm in a porous medium. Three-dimensional millimodels are packed with a transparent porous medium and a glucose solution to match the optical refractive index. The models are inoculated with planktonic wildtype bacteria and biofilm cultivated for 60 h under a constant flow and nutrient conditions. The pore flow velocities in the increasingly bioclogged medium are measured using 3D particle tracking velocimetry (3D-PTV). The three-dimensional spatial distribution of the biofilm within the pore space is assessed by imaging the model with X-Ray microtomography. We find that biofilm growth increases the complexity of the pore space, leading to the formation of preferential flow pathways and "dead" pore zones. The probability of persistent high and low velocity regions (within preferential paths resp. stagnant flow regions) thus increases upon biofilm growth, leading to an enhancement of anomalous transport. The structural data seems to indicate that the largest pores are not getting clogged and carry the preferential flow, whereas intricated structures develop in the smallest pores, where the flow becomes almost stagnant. These findings may be relevant for

  4. The RGD finger of Del-1 is a unique structural feature critical for integrin binding

    Energy Technology Data Exchange (ETDEWEB)

    Schürpf, Thomas; Chen, Qiang; Liu, Jin-huan; Wang, Rui; Springer, Timothy A.; Wang, Jia-huai (Harvard-Med)

    2012-11-13

    Developmental endothelial cell locus-1 (Del-1) glycoprotein is secreted by endothelial cells and a subset of macrophages. Del-1 plays a regulatory role in vascular remodeling and functions in innate immunity through interaction with integrin {alpha}{sub V}{beta}{sub 3}. Del-1 contains 3 epidermal growth factor (EGF)-like repeats and 2 discoidin-like domains. An Arg-Gly-Asp (RGD) motif in the second EGF domain (EGF2) mediates adhesion by endothelial cells and phagocytes. We report the crystal structure of its 3 EGF domains. The RGD motif of EGF2 forms a type II' {beta} turn at the tip of a long protruding loop, dubbed the RGD finger. Whereas EGF2 and EGF3 constitute a rigid rod via an interdomain calcium ion binding site, the long linker between EGF1 and EGF2 lends considerable flexibility to EGF1. Two unique O-linked glycans and 1 N-linked glycan locate to the opposite side of EGF2 from the RGD motif. These structural features favor integrin binding of the RGD finger. Mutagenesis data confirm the importance of having the RGD motif at the tip of the RGD finger. A database search for EGF domain sequences shows that this RGD finger is likely an evolutionary insertion and unique to the EGF domain of Del-1 and its homologue milk fat globule-EGF 8. The RGD finger of Del-1 is a unique structural feature critical for integrin binding.

  5. ARX model-based damage sensitive features for structural damage localization using output-only measurements

    Science.gov (United States)

    Roy, Koushik; Bhattacharya, Bishakh; Ray-Chaudhuri, Samit

    2015-08-01

    The study proposes a set of four ARX model (autoregressive model with exogenous input) based damage sensitive features (DSFs) for structural damage detection and localization using the dynamic responses of structures, where the information regarding the input excitation may not be available. In the proposed framework, one of the output responses of a multi-degree-of-freedom system is assumed as the input and the rest are considered as the output. The features are based on ARX model coefficients, Kolmogorov-Smirnov (KS) test statistical distance, and the model residual error. At first, a mathematical formulation is provided to establish the relation between the change in ARX model coefficients and the normalized stiffness of a structure. KS test parameters are then described to show the sensitivity of statistical distance of ARX model residual error with the damage location. The efficiency of the proposed set of DSFs is evaluated by conducting numerical studies involving a shear building and a steel moment-resisting frame. To simulate the damage scenarios in these structures, stiffness degradation of different elements is considered. It is observed from this study that the proposed set of DSFs is good indicator for damage location even in the presence of damping, multiple damages, noise, and parametric uncertainties. The performance of these DSFs is compared with mode shape curvature-based approach for damage localization. An experimental study has also been conducted on a three-dimensional six-storey steel moment frame to understand the performance of these DSFs under real measurement conditions. It has been observed that the proposed set of DSFs can satisfactorily localize damage in the structure.

  6. Crystal structure of an ascomycete fungal laccase from Thielavia arenaria--common structural features of asco-laccases.

    Science.gov (United States)

    Kallio, Juha P; Gasparetti, Chiara; Andberg, Martina; Boer, Harry; Koivula, Anu; Kruus, Kristiina; Rouvinen, Juha; Hakulinen, Nina

    2011-07-01

    Laccases are copper-containing enzymes used in various applications, such as textile bleaching. Several crystal structures of laccases from fungi and bacteria are available, but ascomycete types of fungal laccases (asco-laccases) have been rather unexplored, and to date only the crystal structure of Melanocarpus albomyces laccase (MaL) has been published. We have now solved the crystal structure of another asco-laccase, from Thielavia arenaria (TaLcc1), at 2.5 Å resolution. The loops near the T1 copper, forming the substrate-binding pockets of the two asco-laccases, differ to some extent, and include the amino acid thought to be responsible for catalytic proton transfer, which is Asp in TaLcc1, and Glu in MaL. In addition, the crystal structure of TaLcc1 does not have a chloride attached to the T2 copper, as observed in the crystal structure of MaL. The unique feature of TaLcc1 and MaL as compared with other laccases structures is that, in both structures, the processed C-terminus blocks the T3 solvent channel leading towards the trinuclear centre, suggesting a common functional role for this conserved 'C-terminal plug'. We propose that the asco-laccases utilize the C-terminal carboxylic group in proton transfer processes, as has been suggested for Glu498 in the CotA laccase from Bacillus subtilis. The crystal structure of TaLcc1 also shows the formation of a similar weak homodimer, as observed for MaL, that may determine the properties of these asco-laccases at high protein concentrations. © 2011 The Authors Journal compilation © 2011 FEBS.

  7. Anomalous Dispersion in a Sand Bed River

    Science.gov (United States)

    Bradley, D. N.; Tucker, G. E.; Benson, D. M.

    2009-04-01

    There has been a recent surge of interest in non-local, heavy-tailed models of sediment transport and dispersion that are governed by fractional order differential equations. These models have a firm mathematical foundation and have been successfully applied in a variety of transport systems, but their use in geomorphology has been minimal because the data required to validate the models is difficult to acquire. We use data from a nearly 50-year-old tracer experiment to test a fluvial bed load transport model with a two unique features. First, the model uses a heavy-tailed particle velocity distribution with a divergent second moment to reproduce the anomalously high fraction of tracer mass observed in the downstream tail of the spatial distribution. Second, the model partitions mass into a detectable mobile phase and an undetectable, immobile phase. This two-phase transport model predicts two other features observed in the data: a decrease in the amount of detected tracer mass over the course of the experiment and the high initial velocity of the tracer plume. Because our model uses a heavy-tailed velocity distribution with a divergent second moment it is non-local and non-Fickian and able to reproduce aspects of the data that a local, Fickian model cannot. The model's successful prediction of the observed concentration profiles provides some of the first evidence of anomalous dispersion of bed load in a natural river.

  8. Seismically-induced structures in the Quaternary sediments of the NE Fennoscandian Shield: Features and age

    Directory of Open Access Journals (Sweden)

    Nikolaeva S. B.

    2016-03-01

    Full Text Available Results of studying secondary seismogenic deformations of the vibrational type (termed "seismites" in loose sediments of the north-eastern Baltic Shield (the Kola region have been provided. The features, types, formation patterns and age of seismites have been considered. On the basis of previous results the major periods of the region activation in the Holocene have been defined. Criteria of identifying similar structures with widely spread glaciodislocations have been suggested. Results of studying the sections with seismites in certain areas of the region have been provided

  9. Stochasticity: A Feature for the Structuring of Large and Heterogeneous Image Databases

    Directory of Open Access Journals (Sweden)

    Rémi Mégret

    2013-11-01

    Full Text Available The paper addresses image feature characterization and the structuring of large and heterogeneous image databases through the stochasticity or randomness appearance. Measuring stochasticity involves finding suitable representations that can significantly reduce statistical dependencies of any order. Wavelet packet representations provide such a framework for a large class of stochastic processes through an appropriate dictionary of parametric models. From this dictionary and the Kolmogorov stochasticity index, the paper proposes semantic stochasticity templates upon wavelet packet sub-bands in order to provide high level classification and content-based image retrieval. The approach is shown to be relevant for texture images.

  10. Imposed, ordered dust structures and other plasma features in a strongly magnetized plasma

    Science.gov (United States)

    Thomas, Edward; Leblanc, Spencer; Lynch, Brian; Konopka, Uwe; Merlino, Robert; Rosenberg, Marlene

    2015-11-01

    The Magnetized Dusty Plasma Experiment (MDPX) device has been in operation for just over one year. In that time, the MDPX device has been operating using a uniform magnetic field configuration up to 3.0 Tesla and has successfully produced plasmas and dusty plasmas at high magnetic fields. In these experimental studies, we have made observations of a new type of imposed, ordered structure in a dusty plasma at magnetic fields above 1 T. These dusty plasma structures are shown to scale inversely with neutral pressure and are shown to reflect the spatial structure of a wire mesh placed in the plasma. Additionally, recent measurements have been made that give insights into the effective potential that establishes the ordered structures in the plasma. In this presentation, we report on details of the imposed, ordered dusty plasma structure as well as filamentary features that also appear in the plasma and modify the confinement of the dusty plasma. This work is supported with funding from the NSF and Department of Energy.

  11. Some features of structural analysis of political class in modern Ukraine

    Directory of Open Access Journals (Sweden)

    T. M. Zakharova

    2014-01-01

    Full Text Available The article describes the features of transformation and structural analysis of Ukrainian political and administrative elite in modern Ukraine. The basic conceptual going near concepts «political class» and «political elite» is analysed, that appeared in modern political science and also the factor of the use and correlation of these concepts is examined in scientific discussion in Ukraine. Given description to the basic stages of forming of political class and modern tendencies of his functioning, the role of political class opens up in the conditions of transformation of the political mode. On the basis of functional analysis an attempt to educe the specific of difficult and dynamic structure of political class is done, grounded, that structural changes into a political class have considerable external consequences both for a political class and for the political system on the whole. Heterogeneity of structure of political class is analysed and the presence of horizontal and vertical distribution of power is investigated. For more complete understanding of forming of political class in the article a quantitative method is used for research of statistical data, that helped to get exact numerical descriptions of statistical model of the investigated indexes. The attempt of analysis of structure of political class is done after the hierarchical system where imperious plenary powers of elite are divided into higher, middle and administrative.

  12. Fate and ultra-structural features of chicken skin mucosa around juvenile polyps.

    Science.gov (United States)

    El-Hodhod, M A; Soliman, A A; Hamdy, A M; Abdel-Rahim, A A; Abdel-Hamid, F K

    2011-03-01

    Chicken skin mucosa (CSM) is a common finding around juvenile polyps in children. Its ultrastructural features and fate after polypectomy are not yet clear. The aim was to study ultra-structural features and outcome of this CSM compared to that of the polyps and distant endoscopically normal mucosa. From 240 children with juvenile polyps, 45 needed a second colonoscopy. Thirty six patients showing CSM represented the cohort of this study. One polyp only was studied in each patient. The histologic features of the CSM were compared to normal and polyp mucosa. The fate of CSM was evaluated in the second colonoscopy. The mean numbers of intraepithelial lymphocytes, as well as lamina propria inflammatory cellular infiltrates were significantly higher in polyp mucosa than in CSM. Goblet cells were significantly higher in CSM compared to normal mucosa with marked depletion in the polyp mucosa. The muscularis mucosae thickness was significantly higher in CSM compared to polyps (ppolyp showed the most intense mucosal inflammatory reaction. CSM with the unique thickening of muscularis mucosae especially around larger polyps almost disappeared after polypectomy. So these results suggest that CSM is a benign compensatory reaction induced by the mechanical effect of the polyp.

  13. Features of construction of structures in long-term training acrobatics at the modern stage

    Directory of Open Access Journals (Sweden)

    N.V. Bachynska

    2015-02-01

    Full Text Available Purpose: the basic directions of the structure of long-term training in sports acrobatics are ground. The objectives of the study was to determine the leading requirements and criteria, the main stages of a multi-year training in acrobatics. Material : analysis of special scientific and methodical literature, revealing the specific features of the construction of long-term training in sports and gymnastics, acrobatic rock 'n' roll, a number of other sports. Results : general structure, goals, objectives and provisions of the basic stages of a multi-year training in sports acrobatics. Singled leading indicators and criteria for each of the main stages of long-term sports training in acrobatics. Recommended duration of training sessions and key requirements for the preparation of acrobats. Conclusions : outlines the main requirements and benchmarks that can guide the trainer in a training and competitive activity when working with acrobats all age groups and different sports qualification.

  14. The impact of the structural features of the rock mass on seismicity in Polish coal mines

    Science.gov (United States)

    Patyńska, Renata

    2017-11-01

    The article presents seismic activity induced in the coal mines of the Upper Silesian Coal Basin (GZW) in relation to the locations of the occurrence of rockbursts. The comparison of these measurements with the structural features of the rock mass of coal mines indicates the possibility of estimating the so-called Unitary Energy Expenditure (UEE) in a specific time. The obtained values of UEE were compared with the distribution of seismic activity in GZW mines. The level of seismic activity in the analysed period changed and depended on the intensity of mining works and diverse mining and geological conditions. Five regions, where tremors occurred (Bytom Trough, Main Saddle, Main Trough, Kazimierz Trough, and Jejkowice and Chwałowice Trough) which belong to various structural units of the Upper Silesia were analyzed. It was found out that rock bursts were recorded only in three regions: Main Saddle, Bytom Trough, and Jejkowice and Chwałowice Trough.

  15. Automated measurement of CT noise in patient images with a novel structure coherence feature

    International Nuclear Information System (INIS)

    Chun, Minsoo; Kim, Jong Hyo; Choi, Young Hun

    2015-01-01

    While the assessment of CT noise constitutes an important task for the optimization of scan protocols in clinical routine, the majority of noise measurements in practice still rely on manual operation, hence limiting their efficiency and reliability. This study presents an algorithm for the automated measurement of CT noise in patient images with a novel structure coherence feature. The proposed algorithm consists of a four-step procedure including subcutaneous fat tissue selection, the calculation of structure coherence feature, the determination of homogeneous ROIs, and the estimation of the average noise level. In an evaluation with 94 CT scans (16 517 images) of pediatric and adult patients along with the participation of two radiologists, ROIs were placed on a homogeneous fat region at 99.46% accuracy, and the agreement of the automated noise measurements with the radiologists’ reference noise measurements (PCC  =  0.86) was substantially higher than the within and between-rater agreements of noise measurements (PCC within   =  0.75, PCC between   =  0.70). In addition, the absolute noise level measurements matched closely the theoretical noise levels generated by a reduced-dose simulation technique. Our proposed algorithm has the potential to be used for examining the appropriateness of radiation dose and the image quality of CT protocols for research purposes as well as clinical routine. (paper)

  16. Specific features of the nonradiative relaxation of Er{sup 3+} ions in epitaxial Si structures

    Energy Technology Data Exchange (ETDEWEB)

    Kudryavtsev, K. E., E-mail: konstantin@ipmras.ru; Kryzhkov, D. I.; Antonov, A. V.; Shengurov, D. V.; Shmagin, V. B.; Krasilnik, Z. F. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2014-12-15

    The specific features of the nonradiative relaxation of Er{sup 3+} ions in Si:Er layers grown by sublimation molecular-beam epitaxy (SMBE) are studied. In Si:Er/Si diode structures containing precipitation-type emitting centers, a resonance photoresponse at the wavelength λ ≈ 1.5 μm is observed, which is indicative of the nonradiative relaxation of Er3+ ions via the energy back-transfer mechanism. Saturation of the erbium-related photocurrent is for the first time observed at high temperatures. This allows estimation of the concentration of Er centers that undergo relaxation via the above-mentioned back-transfer mechanism (N{sub 0} ≈ 5 × 10{sup 16} cm{sup −3}). In terms of order of magnitude, the estimated concentration N{sub 0} corresponds to the concentration of optically active Er ions upon excitation of the Si:Er layers by means of the recombination mechanism. The features of the nonradiative relaxation of Er{sup 3+} ions in Si:Er/Si structures with different types of emitting centers are analyzed.

  17. SoftSearch: integration of multiple sequence features to identify breakpoints of structural variations.

    Directory of Open Access Journals (Sweden)

    Steven N Hart

    Full Text Available BACKGROUND: Structural variation (SV represents a significant, yet poorly understood contribution to an individual's genetic makeup. Advanced next-generation sequencing technologies are widely used to discover such variations, but there is no single detection tool that is considered a community standard. In an attempt to fulfil this need, we developed an algorithm, SoftSearch, for discovering structural variant breakpoints in Illumina paired-end next-generation sequencing data. SoftSearch combines multiple strategies for detecting SV including split-read, discordant read-pair, and unmated pairs. Co-localized split-reads and discordant read pairs are used to refine the breakpoints. RESULTS: We developed and validated SoftSearch using real and synthetic datasets. SoftSearch's key features are 1 not requiring secondary (or exhaustive primary alignment, 2 portability into established sequencing workflows, and 3 is applicable to any DNA-sequencing experiment (e.g. whole genome, exome, custom capture, etc.. SoftSearch identifies breakpoints from a small number of soft-clipped bases from split reads and a few discordant read-pairs which on their own would not be sufficient to make an SV call. CONCLUSIONS: We show that SoftSearch can identify more true SVs by combining multiple sequence features. SoftSearch was able to call clinically relevant SVs in the BRCA2 gene not reported by other tools while offering significantly improved overall performance.

  18. Valence selective DAFS measurements of Mn in La{sub 1/3}Ca{sub 2/3}MnO{sub 3}[Diffraction Anomalous Fine-Structure

    Energy Technology Data Exchange (ETDEWEB)

    Ravel, B.; Grenier, S.; Renevier, H. [CNRS, Lab. de Cristalographie, Grenoble (France); Eom, C.B. [Duke Univ., Dept. of Mech. Engineering and Mat. Sci., Durham, NC (United States)

    2001-03-01

    The manganese perovskite system La{sub 1-x}Ca{sub x}MnO{sub 3} displays a complex phase diagram of structural, magnetic, and transport properties with varying Ca concentration. At x = 2/3 and at low temperature, the system is antiferromagnetic with Mn{sup 4+} and Mn{sup 3+} ions occupying special positions in a charge-ordered supper lattice. The charge ordering transition at about 260 K is characterized by the appearance of satellite peaks around certain strong normal lattice reflections. The normal lattice reflections are due to scattering from planes containing Mn{sup 4+} and Mn{sup 3+} ions in nearly stoichiometric proportion, however the superlattice reflections are due to scattering from planes containing only Mn{sup 4+} ions. By measuring Diffraction Anomalous Fine-Structure spectra on a superlattice reflection and its associated normal lattice reflection, it is possible to isolate absorption-like spectra for the two Mn sites. Due to the weak intensity of these superlattice reflections, we were unable to obtain high quality near-edge spectra for the superlattice reflection measured. However, the data offer useful information about the local electronic structures of the two Mn ions. (au)

  19. On the quantum mechanics of consciousness, with application to anomalous phenomena

    Science.gov (United States)

    Jahn, Robert G.; Dunne, Brenda J.

    1986-08-01

    Theoretical explication of a growing body of empirical data on consciousness-related anomalous phenomena is unlikely to be achieved in terms of known physical processes. Rather, it will first be necessary to formulate the basic role of consciousness in the definition of reality before such anomalous experience can adequately be represented. This paper takes the position that reality is constituted only in the interaction of consciousness with its environment, and therefore that any scheme of conceptual organization developed to represent that reality must reflect the processes of consciousness as well as those of its environment. In this spirit, the concepts and formalisms of elementary quantum mechanics, as originally proposed to explain anomalous atomic-scale physical phenomena, are appropriated via metaphor to represent the general characteristics of consciousness interacting with any environment. More specifically, if consciousness is represented by a quantum mechanical wave function, and its environment by an appropriate potential profile, Schrödinger wave mechanics defines eigenfunctions and eigenvalues that can be associated with the cognitive and emotional experiences of that consciousness in that environment. To articulate this metaphor it is necessary to associate certain aspects of the formalism, such as the coordinate system, the quantum numbers, and even the metric itself, with various impressionistic descriptors of consciousness, such as its intensity, perspective, approach/avoidance attitude, balance between cognitive and emotional activity, and receptive/assertive disposition. With these established, a number of the generic features of quantum mechanics, such as the wave/particle duality, and the uncertainty, indistinguishability, and exclusion principles, display metaphoric relevance to familiar individual and collective experiences. Similarly, such traditional quantum theoretic exercises as the central force field and atomic structure, covalent

  20. Oxide-ion and proton conducting electrolyte materials for clean energy applications: structural and mechanistic features.

    Science.gov (United States)

    Malavasi, Lorenzo; Fisher, Craig A J; Islam, M Saiful

    2010-11-01

    This critical review presents an overview of the various classes of oxide materials exhibiting fast oxide-ion or proton conductivity for use as solid electrolytes in clean energy applications such as solid oxide fuel cells. Emphasis is placed on the relationship between structural and mechanistic features of the crystalline materials and their ion conduction properties. After describing well-established classes such as fluorite- and perovskite-based oxides, new materials and structure-types are presented. These include a variety of molybdate, gallate, apatite silicate/germanate and niobate systems, many of which contain flexible structural networks, and exhibit different defect properties and transport mechanisms to the conventional materials. It is concluded that the rich chemistry of these important systems provides diverse possibilities for developing superior ionic conductors for use as solid electrolytes in fuel cells and related applications. In most cases, a greater atomic-level understanding of the structures, defects and conduction mechanisms is achieved through a combination of experimental and computational techniques (217 references).

  1. The Structure of Neurexin 1[alpha] Reveals Features Promoting a Role as Synaptic Organizer

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Fang; Venugopal, Vandavasi; Murray, Beverly; Rudenko, Gabby (Michigan)

    2014-10-02

    {alpha}-Neurexins are essential synaptic adhesion molecules implicated in autism spectrum disorder and schizophrenia. The {alpha}-neurexin extracellular domain consists of six LNS domains interspersed by three EGF-like repeats and interacts with many different proteins in the synaptic cleft. To understand how {alpha}-neurexins might function as synaptic organizers, we solved the structure of the neurexin 1{alpha} extracellular domain (n1{alpha}) to 2.65 {angstrom}. The L-shaped molecule can be divided into a flexible repeat I (LNS1-EGF-A-LNS2), a rigid horseshoe-shaped repeat II (LNS3-EGF-B-LNS4) with structural similarity to so-called reelin repeats, and an extended repeat III (LNS5-EGF-B-LNS6) with controlled flexibility. A 2.95 {angstrom} structure of n1{alpha} carrying splice insert SS3 in LNS4 reveals that SS3 protrudes as a loop and does not alter the rigid arrangement of repeat II. The global architecture imposed by conserved structural features enables {alpha}-neurexins to recruit and organize proteins in distinct and variable ways, influenced by splicing, thereby promoting synaptic function.

  2. Structural features of a potential gas hydrate area in the Pointer Ridge off southwest Taiwan

    Science.gov (United States)

    Wang, Hsueh-Fen; Hsu, Shu-Kun; Tsai, Ching-Hui; Chen, Song-Chuen; Liu, Char-Shine; Lin, Hsiao-Shan

    2015-04-01

    The offshore area of the southwest Taiwan is located in the oblique convergence zone between the northern continental margin of South China Sea and the Manila accretionary wedge. To the west of the deformation front offshore southwestern Taiwan, the Pointer Ridge is located in the passive South China Sea continental margin. The continental margin is compose of extensional horst-and-graben structures. There are numerous submarine channels and linear ridge, formed due to the submarine erosion across the continental slope region. According to geophysical research off SW Taiwan, abundant gas hydrate may exist. In this study, our purpose is to understand the relationship between the near-seafloor structures of the Pointer Ridge and the gas hydrate formation off SW Taiwan. The data we used include multi-beam echo sounder (MBES), side-scan sonar (SSS), sub-bottom profiler (SBP) and the multi-channel reflection seismic (MCS) data. Our results show the pockmark and gas seepage structures mainly appear in the place where the gradient of the BSR thickness is maximum. Those sites contain authigenic carbonate signature shown in the sub-bottom profiler. We also observe several folds and faults structures in this extensional background; however, these compressional features need further studies.

  3. New Features in the Lipid A Structure of Brucella suis and Brucella abortus Lipopolysaccharide

    Science.gov (United States)

    Casabuono, Adriana C.; Czibener, Cecilia; Del Giudice, Mariela G.; Valguarnera, Ezequiel; Ugalde, Juan E.; Couto, Alicia S.

    2017-12-01

    Brucellaceae are Gram-negative bacteria that cause brucellosis, one of the most distributed worldwide zoonosis, transmitted to humans by contact with either infected animals or their products. The lipopolysaccharide exposed on the cell surface has been intensively studied and is considered a major virulence factor of Brucella. In the last years, structural studies allowed the determination of new structures in the core oligosaccharide and the O-antigen of this lipopolysaccharide. In this work, we have reinvestigated the lipid A structure isolated from B. suis and B. abortus lipopolysaccharides. A detailed study by MALDI-TOF mass spectrometry in the positive and negative ion modes of the lipid A moieties purified from both species was performed. Interestingly, a new feature was detected: the presence of a pyrophosphorylethanolamine residue substituting the backbone. LID-MS/MS analysis of some of the detected ions allowed assurance that the Lipid A structure composed by the diGlcN3N disaccharide, mainly hexa-acylated and penta-acylated, bearing one phosphate and one pyrophosphorylethanolamine residue. [Figure not available: see fulltext.

  4. Anomalous atomic volume of alpha-Pu

    DEFF Research Database (Denmark)

    Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt

    1997-01-01

    We have performed full charge-density calculations for the equilibrium atomic volumes of the alpha-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.......3%. The comparison between the LDA and GGA results show that the anomalously large atomic volume of alpha-Pu relative to alpha-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization...

  5. Global constraints on top quark anomalous couplings

    Science.gov (United States)

    Déliot, Frédéric; Faria, Ricardo; Fiolhais, Miguel C. N.; Lagarelhos, Pedro; Onofre, António; Pease, Christopher M.; Vasconcelos, Ana

    2018-01-01

    The latest results on top quark physics, namely single top quark production cross sections, W -boson helicity and asymmetry measurements are used to probe the Lorentz structure of the W t b vertex. The increase of sensitivity to new anomalous physics contributions to the top quark sector of the standard model is quantified by combining the relevant results from Tevatron and the Large Hadron Collider. The results show that combining an increasing set of available precision measurements in the search for new physics phenomena beyond the standard model leads to significant sensitivity improvements, especially when compared with the current expectation for the High Luminosity run at the LHC.

  6. Anomalous couplings at LEP2

    International Nuclear Information System (INIS)

    Fayolle, D.

    2002-01-01

    In its second phase, LEP has allowed to study four fermion processes never observed before. Results are presented on the charged triple gauge boson couplings (TGC) from the W-pair, Single W and Single γ production. The anomalous quartic gauge couplings (QGC) are constrained using production of WWγ, νν-barγγ and Z γγ final states. Finally, limits on the neutral anomalous gauge couplings (NGC) using the Z γ and ZZ production processes are also reported. All results are consistent with the Standard Model expectations. (authors)

  7. Structural features facilitating tumor cell targeting and internalization by bleomycin and its disaccharide.

    Science.gov (United States)

    Yu, Zhiqiang; Paul, Rakesh; Bhattacharya, Chandrabali; Bozeman, Trevor C; Rishel, Michael J; Hecht, Sidney M

    2015-05-19

    We have shown previously that the bleomycin (BLM) carbohydrate moiety can recapitulate the tumor cell targeting effects of the entire BLM molecule, that BLM itself is modular in nature consisting of a DNA-cleaving aglycone which is delivered selectively to the interior of tumor cells by its carbohydrate moiety, and that there are disaccharides structurally related to the BLM disaccharide which are more efficient than the natural disaccharide at tumor cell targeting/uptake. Because BLM sugars can deliver molecular cargoes selectively to tumor cells, and thus potentially form the basis for a novel antitumor strategy, it seemed important to consider additional structural features capable of affecting the efficiency of tumor cell recognition and delivery. These included the effects of sugar polyvalency and net charge (at physiological pH) on tumor cell recognition, internalization, and trafficking. Since these parameters have been shown to affect cell surface recognition, internalization, and distribution in other contexts, this study has sought to define the effects of these structural features on tumor cell recognition by bleomycin and its disaccharide. We demonstrate that both can have a significant effect on tumor cell binding/internalization, and present data which suggests that the metal ions normally bound by bleomycin following clinical administration may significantly contribute to the efficiency of tumor cell uptake, in addition to their characterized function in DNA cleavage. A BLM disaccharide-Cy5** conjugate incorporating the positively charged dipeptide d-Lys-d-Lys was found to associate with both the mitochondria and the nuclear envelope of DU145 cells, suggesting possible cellular targets for BLM disaccharide-cytotoxin conjugates.

  8. Association between MRI structural features and cognitive measures in pediatric multiple sclerosis

    Science.gov (United States)

    Amoroso, N.; Bellotti, R.; Fanizzi, A.; Lombardi, A.; Monaco, A.; Liguori, M.; Margari, L.; Simone, M.; Viterbo, R. G.; Tangaro, S.

    2017-09-01

    Multiple sclerosis (MS) is an inflammatory and demyelinating disease associated with neurodegenerative processes that lead to brain structural changes. The disease affects mostly young adults, but 3-5% of cases has a pediatric onset (POMS). Magnetic Resonance Imaging (MRI) is generally used for diagnosis and follow-up in MS patients, however the most common MRI measures (e.g. new or enlarging T2-weighted lesions, T1-weighted gadolinium- enhancing lesions) have often failed as surrogate markers of MS disability and progression. MS is clinically heterogenous with symptoms that can include both physical changes (such as visual loss or walking difficulties) and cognitive impairment. 30-50% of POMS experience prominent cognitive dysfunction. In order to investigate the association between cognitive measures and brain morphometry, in this work we present a fully automated pipeline for processing and analyzing MRI brain scans. Relevant anatomical structures are segmented with FreeSurfer; besides, statistical features are computed. Thus, we describe the data referred to 12 patients with early POMS (mean age at MRI: 15.5 +/- 2.7 years) with a set of 181 structural features. The major cognitive abilities measured are verbal and visuo-spatial learning, expressive language and complex attention. Data was collected at the Department of Basic Sciences, Neurosciences and Sense Organs, University of Bari, and exploring different abilities like the verbal and visuo-spatial learning, expressive language and complex attention. Different regression models and parameter configurations are explored to assess the robustness of the results, in particular Generalized Linear Models, Bayes Regression, Random Forests, Support Vector Regression and Artificial Neural Networks are discussed.

  9. Structural features of the San Andreas fault at Tejon Pass, California

    Science.gov (United States)

    Dewers, T. A.; Reches, Z.; Brune, J. N.

    2002-12-01

    We mapped a 2 km belt along the San Andreas fault (SAF) in the Tejon Pass area where road cuts provide fresh exposures of the fault zone and surrounding rocks. Our 1:2,000 structural mapping is focused on analysis of faulting processes and is complementary to regional mapping at 1:12,000 scale by Ramirez (M.Sc., UC Santa Barbara, 1984). The dominant rock units are the Hungry Valley Formation of Pliocene age (clastic sediments) exposed south of the SAF, and the Tejon Lookout granite (Cretaceous) and Neenach Volcanic Formation exposed north of it. Ramirez (1983) deduced ~220 km of post-Miocene lateral slip. The local trend of the SAF is about N60W and it includes at least three main, subparallel segments that form a 200 m wide zone. The traces of the segments are quasi-linear, discontinuous, and they are stepped with respect to each other, forming at least five small pull-aparts and sag ponds in the mapping area. The three segments were not active semi-contemporaneously and the southern segment is apparently the oldest. The largest pull-apart, 60-70 m wide, displays young (Quaternary?) silt and shale layers. We found two rock bodies that are suspected as fault-rocks. One is a 1-2 m thick sheet-like body that separates the Tejon Lookout granite from young (Recent?) clastic rocks. In the field, it appears as a gouge zone composed of poorly cemented, dark clay size grains; however, the microstructure of this rock does not reveal clear shear features. The second body is the 80-120 m wide zone of Tejon Lookout granite that extends for less than 1 km along the SAF in the mapped area. It is characterized by three structural features: (1) pulverization into friable, granular material by multitude of grain-crossing fractures; (2) abundance of dip-slip small faults that are gently dipping toward and away from the SAF; and (3) striking lack of evidence for shear parallel to the SAF. The relationships between these features and the large right-lateral shear along the SAF are

  10. Non-iridescent transmissive structural color filter featuring highly efficient transmission and high excitation purity.

    Science.gov (United States)

    Shrestha, Vivek Raj; Lee, Sang-Shin; Kim, Eun-Soo; Choi, Duk-Yong

    2014-05-12

    Nanostructure based color filtering has been considered an attractive replacement for current colorant pigmentation in the display technologies, in view of its increased efficiencies, ease of fabrication and eco-friendliness. For such structural filtering, iridescence relevant to its angular dependency, which poses a detrimental barrier to the practical development of high performance display and sensing devices, should be mitigated. We report on a non-iridescent transmissive structural color filter, fabricated in a large area of 76.2 × 25.4 mm(2), taking advantage of a stack of three etalon resonators in dielectric films based on a high-index cavity in amorphous silicon. The proposed filter features a high transmission above 80%, a high excitation purity of 0.93 and non-iridescence over a range of 160°, exhibiting no significant change in the center wavelength, dominant wavelength and excitation purity, which implies no change in hue and saturation of the output color. The proposed structure may find its potential applications to large-scale display and imaging sensor systems.

  11. GALT protein database: querying structural and functional features of GALT enzyme.

    Science.gov (United States)

    d'Acierno, Antonio; Facchiano, Angelo; Marabotti, Anna

    2014-09-01

    Knowledge of the impact of variations on protein structure can enhance the comprehension of the mechanisms of genetic diseases related to that protein. Here, we present a new version of GALT Protein Database, a Web-accessible data repository for the storage and interrogation of structural effects of variations of the enzyme galactose-1-phosphate uridylyltransferase (GALT), the impairment of which leads to classic Galactosemia, a rare genetic disease. This new version of this database now contains the models of 201 missense variants of GALT enzyme, including heterozygous variants, and it allows users not only to retrieve information about the missense variations affecting this protein, but also to investigate their impact on substrate binding, intersubunit interactions, stability, and other structural features. In addition, it allows the interactive visualization of the models of variants collected into the database. We have developed additional tools to improve the use of the database by nonspecialized users. This Web-accessible database (http://bioinformatica.isa.cnr.it/GALT/GALT2.0) represents a model of tools potentially suitable for application to other proteins that are involved in human pathologies and that are subjected to genetic variations. © 2014 WILEY PERIODICALS, INC.

  12. Light-harvesting features revealed by the structure of plant Photosystem I

    CERN Document Server

    Ben-Shem, A; Nelson, N; 10.1023/B:PRES.0000036881.23512.42

    2004-01-01

    Oxygenic photosynthesis is driven by two multi-subunit membrane protein complexes, Photosystem I and Photosystem II. In plants and green algae, both complexes are composed of two moieties: a reaction center (RC), where light-induced charge translocation occurs, and a peripheral antenna that absorbs light and funnels its energy to the reaction center. The peripheral antenna of PS I (LHC I) is composed of four gene products (Lhca 1-4) that are unique among the chlorophyll a/b binding proteins in their pronounced long-wavelength absorbance and in their assembly into dimers. The recently determined structure of plant Photosystem I provides the first relatively high- resolution structural model of a super-complex containing a reaction center and its peripheral antenna. We describe some of the structural features responsible for the unique properties of LHC I and discuss the advantages of the particular LHC I dimerization mode over monomeric or trimeric forms. In addition, we delineate some of the interactions betw...

  13. Not Mere Lexicographic Cosmetics: The Compilation and Structural Features of Isichazamazwi SezoMculo

    Directory of Open Access Journals (Sweden)

    Nobuhle Moyo

    2011-10-01

    Full Text Available Abstract: This article offers a brief overview of the compilation of the Ndebele music terms dictionary, Isichazamazwi SezoMculo (henceforth the ISM, paying particular attention to its structural features. It empha-sises that the reference needs of the users as well as their reference skills should be given a determining role in all lexicographic decisions leading to the publication of a dictionary. Dictionary structure should, there-fore, be conceived and evaluated in terms of its data constituents and the accessibility of these data. Accord-ingly, this article demonstrates that the structure of the ISM is not a case of mere cosmetics but a lexico-graphic mode of communication between the dictionary compilers and users who are participants in a lexi-cographic communication process. In this way, the article highlights some of the challenges encountered during the compilation of the ISM and the strategies the compilers employed to facilitate the communication process between the lexicographers and the users regarding dictionary contents and the arrangement thereof. From such a perspective, this article may provide useful insights for LSP lexicography in African languages, prospects of which are based on the increased need for knowledge acquisition and dissemination as well as the multilingual nature of African societies.

  14. GeneViTo: Visualizing gene-product functional and structural features in genomic datasets

    Directory of Open Access Journals (Sweden)

    Promponas Vasilis J

    2003-10-01

    Full Text Available Abstract Background The availability of increasing amounts of sequence data from completely sequenced genomes boosts the development of new computational methods for automated genome annotation and comparative genomics. Therefore, there is a need for tools that facilitate the visualization of raw data and results produced by bioinformatics analysis, providing new means for interactive genome exploration. Visual inspection can be used as a basis to assess the quality of various analysis algorithms and to aid in-depth genomic studies. Results GeneViTo is a JAVA-based computer application that serves as a workbench for genome-wide analysis through visual interaction. The application deals with various experimental information concerning both DNA and protein sequences (derived from public sequence databases or proprietary data sources and meta-data obtained by various prediction algorithms, classification schemes or user-defined features. Interaction with a Graphical User Interface (GUI allows easy extraction of genomic and proteomic data referring to the sequence itself, sequence features, or general structural and functional features. Emphasis is laid on the potential comparison between annotation and prediction data in order to offer a supplement to the provided information, especially in cases of "poor" annotation, or an evaluation of available predictions. Moreover, desired information can be output in high quality JPEG image files for further elaboration and scientific use. A compilation of properly formatted GeneViTo input data for demonstration is available to interested readers for two completely sequenced prokaryotes, Chlamydia trachomatis and Methanococcus jannaschii. Conclusions GeneViTo offers an inspectional view of genomic functional elements, concerning data stemming both from database annotation and analysis tools for an overall analysis of existing genomes. The application is compatible with Linux or Windows ME-2000-XP operating

  15. Structural contour, isopach and feature maps of quaternary sediments in Western Lake Ontario

    International Nuclear Information System (INIS)

    Lewis, C.F.M.; King, E.L.; Todd, B.J.; Blasco, S.M.

    1995-06-01

    A systematic high-resolution acoustic reconnaissance survey of Quaternary sediments (> 50 m thick, in places) and the underlying bedrock surface was completed for western Lake Ontario between Burlington and Port Hope, Ontario, to determine if geophysical lineaments through the area of Pickering and Darlington nuclear power stations are potentially seismically active. A total of 2530 line-km of data were obtained along N-S and E-W lines spaced 10 and 5 km respectively, using a high-resolution subbottom profiler (boomer and IKB-SEISTEC), a 100 kHz sidescan sonar (150-m range) with 3.5 kHz profiler, a 10 or 40 cu. in. sleeve gun seismic reflection system, and, intermittently, a marine magnetometer. Six piston cores up to 15-m long were collected to compare sediment lithology with key regional seismic reflectors. Sediments deposited over the past 13,000 years were imaged with vertical resolution in the order of 10-30 cm just below the lakebed and less than 1 m at the bedrock surface; resolution for the sleeve gun system is approximately 3-5 m. Digital processing and rescaling of selected seismic profiles aided interpretation. Structural contour maps for three Quaternary sequence boundaries and the bedrock surface were generated together with the related sequence isopach maps. Three additional maps portray lakebed features identified on sidescan sonar records and subsurface features identified on seismic profiles. All maps are at 1:250,000 scale. (author). 2 tabs., 48 figs., 12 maps

  16. Automatic registration of Iphone images to LASER point clouds of the urban structures using shape features

    Science.gov (United States)

    Sirmacek, B.; Lindenbergh, R. C.; Menenti, M.

    2013-10-01

    Fusion of 3D airborne laser (LIDAR) data and terrestrial optical imagery can be applied in 3D urban modeling and model up-dating. The most challenging aspect of the fusion procedure is registering the terrestrial optical images on the LIDAR point clouds. In this article, we propose an approach for registering these two different data from different sensor sources. As we use iPhone camera images which are taken in front of the interested urban structure by the application user and the high resolution LIDAR point clouds of the acquired by an airborne laser sensor. After finding the photo capturing position and orientation from the iPhone photograph metafile, we automatically select the area of interest in the point cloud and transform it into a range image which has only grayscale intensity levels according to the distance from the image acquisition position. We benefit from local features for registering the iPhone image to the generated range image. In this article, we have applied the registration process based on local feature extraction and graph matching. Finally, the registration result is used for facade texture mapping on the 3D building surface mesh which is generated from the LIDAR point cloud. Our experimental results indicate possible usage of the proposed algorithm framework for 3D urban map updating and enhancing purposes.

  17. A novel dimensional reduction approach for structural damage diagnosis using feature similarity

    Science.gov (United States)

    Lopez, I.; Sarigul-Klijn, N.

    2009-03-01

    Dimensionality reduction is an essential data preprocessing technique for feature extraction, clustering and data classification in the area of Structural Health Monitoring (SHM). This paper presents a novel data-driven model for feature extraction and its application to damage identification by means of experimental case studies. The method obtains similarity matrix indices for individual dimensional reduction techniques whereby maximum compression of information is obtained and redundancy therein is removed by creating an ensemble of these indices. A systematic comparison of this novel technique to existing linear and nonlinear dimensional reduction methods is given. First case study investigates the aeroacoustic properties of a scaled wing model with penetrating impact damage. In the experimental vibration case study, we use the response of surface mounted accelerometers to detect and quantify damage of an aluminum plate. The dimensional reduction methods will be used to improve the efficiency and effectiveness of damage classifier. In this study, damage identification performances are evaluated using a one-class k-Nearest Neighbor classifier. Classification performance is measured in terms of rate of detection and false alarm via receiver operating characteristic (ROC) curves. The robustness of the damage detection approach to uncertainty in the input data is investigated using probabilistic-based confidence bounds of prediction accuracy. Experimental results show that proposed approach yields significant reduction of false-diagnosis and increasing confidence levels in damage detection.

  18. Features of molecular-beam epitaxy and structural properties of AlInSb-based heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, A. N., E-mail: semenov@beam.ioffe.ru; Meltser, B. Ya.; Solov' ev, V. A.; Komissarova, T. A.; Sitnikova, A. A.; Kirylenko, D. A.; Nadtochyi, A. M.; Popova, T. V.; Kop' ev, P. S.; Ivanov, S. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation)

    2011-10-15

    AlInSb layers are grown on highly lattice-mismatched GaAs (100) substrates by molecular-beam epitaxy (MBE) and studied in situ by reflection high-energy electron diffraction and ex situ by scanning and transmission electron microscopy (SEM and TEM). It is shown that one feature of AlInSb/GaAs heterostructure features is a high probability of forming microtwins; methods for decreasing their concentration are proposed. To initiate AlInSb growth on GaAs substrates under high lattice-mismatch ({approx}14.5%) conditions and to stimulate the transition to 2D growth, the GaAs layer surface was preliminarily exposed to an antimony flux followed by deposition of an intermediate AlSb buffer layer. The optimization of initial MBE growth stages of Sb-containing layers on the GaAs surface allows a decrease in the defect density in the GaAs/AlInSb heterostructures more than by two orders of magnitude, including a drastic decrease in the microtwin density. Optimal MBE growth conditions for Al{sub x}Al{sub 1-x}Sb are determined in a wide composition range (0 < x < 0.3). The TEM and SEM studies confirm the high structural quality of grown GaAs/AlInSb heterostructures. Hall-effect measurements showed the dependence of the carrier mobility and concentration on the aluminum content in AlInSb layers and allowed preliminary conclusions on scattering mechanisms.

  19. The use of anomalous scattering of uranium for the determination of biological macromolecules structures - From hard to soft X-rays

    International Nuclear Information System (INIS)

    Chesne-Seck, M.L.

    2002-01-01

    In order to solve biological macromolecules structures, structure factor phases must be derived from the intensities diffracted by the crystal. The SAD and the MAD methods make use of variations in scattering factors measured at specific absorption edges of heavy atoms, bound to the protein. The phasing power depends on the occupancy of the binding sites and on the variations of the scattering factors at the absorption edge that is used. With uranyl, numerous sites with low occupancies are usually obtained. We used new colored uranyl complexes, which give higher occupancies, to solve de novo the lysozyme structure and an unknown structure. We have developed the use of the My absorption edge of uranium (λ = 3,5 Angstroms), where a variation of 120 electrons is observed in the scattering factors. With a helium atmosphere to limit the X-rays absorption, we have collected three data sets, on a single image. Data were processed both with 'classical' and specific programs. (author) [fr

  20. Anomalous diffusion without scale invariance

    Energy Technology Data Exchange (ETDEWEB)

    Hanyga, A [Department of Earth Sciences, University of Bergen, Allegaten 41, N5007 Bergen (Norway)

    2007-05-25

    Asymptotic behaviour of a new class of anomalous diffusion equations for subdiffusive transport defined in terms of generalized distributed fractional-order time derivatives is considered. The effect of slowly varying factors on the scaling function of asymptotic solutions is demonstrated. The origin of slowly varying scaling factors in the CTRW models is discussed.

  1. Inhalation TTC values: A new integrative grouping approach considering structural, toxicological and mechanistic features.

    Science.gov (United States)

    Tluczkiewicz, I; Kühne, R; Ebert, R-U; Batke, M; Schüürmann, G; Mangelsdorf, I; Escher, S E

    2016-07-01

    The present publication describes an integrative grouping concept to derive threshold values for inhalation exposure. The classification scheme starts with differences in toxicological potency and develops criteria to group compounds into two potency classes, namely toxic (T-group) or low toxic (L-group). The TTC concept for inhalation exposure is based on the TTC RepDose data set, consisting of 296 organic compounds with 608 repeated-dose inhalation studies. Initially, 21 structural features (SFs) were identified as being characteristic for compounds of either high or low NOEC values (Schüürmann et al., 2016). In subsequent analyses these SF groups were further refined by taking into account structural homogeneity, type of toxicological effect observed, differences in absorption, metabolism and mechanism of action (MoA), to better define their structural and toxicological boundaries. Differentiation of a local or systemic mode of action did not improve the classification scheme. Finally, 28 groups were discriminated: 19 T-groups and 9 L-groups. Clearly distinct thresholds were derived for the T- and L-toxicity groups, being 2 × 10(-5) ppm (2 μg/person/day) and 0.05 ppm (4260 μg/person/day), respectively. The derived thresholds and the classification are compared to the initial mainly structure driven grouping (Schüürmann et al., 2016) and to the Cramer classification. Copyright © 2016 Elsevier Inc. All rights reserved.

  2. Accurate facade feature extraction method for buildings from three-dimensional point cloud data considering structural information

    Science.gov (United States)

    Wang, Yongzhi; Ma, Yuqing; Zhu, A.-xing; Zhao, Hui; Liao, Lixia

    2018-05-01

    Facade features represent segmentations of building surfaces and can serve as a building framework. Extracting facade features from three-dimensional (3D) point cloud data (3D PCD) is an efficient method for 3D building modeling. By combining the advantages of 3D PCD and two-dimensional optical images, this study describes the creation of a highly accurate building facade feature extraction method from 3D PCD with a focus on structural information. The new extraction method involves three major steps: image feature extraction, exploration of the mapping method between the image features and 3D PCD, and optimization of the initial 3D PCD facade features considering structural information. Results show that the new method can extract the 3D PCD facade features of buildings more accurately and continuously. The new method is validated using a case study. In addition, the effectiveness of the new method is demonstrated by comparing it with the range image-extraction method and the optical image-extraction method in the absence of structural information. The 3D PCD facade features extracted by the new method can be applied in many fields, such as 3D building modeling and building information modeling.

  3. Subsurface mapping of Rustenburg Layered Suite (RLS), Bushveld Complex, South Africa: Inferred structural features using borehole data and spatial analysis

    Science.gov (United States)

    Bamisaiye, O. A.; Eriksson, P. G.; Van Rooy, J. L.; Brynard, H. M.; Foya, S.; Billay, A. Y.; Nxumalo, V.

    2017-08-01

    Faults and other structural features within the mafic-ultramafic layers of the Bushveld Complex have been a major issue mainly for exploration and mine planning. This study employed a new approach in detecting faults with both regional and meter scale offsets, which was not possible with the usually applied structure contour mapping. Interpretations of faults from structural and isopach maps were previously based on geological experience, while meter-scale faults were virtually impossible to detect from such maps. Spatial analysis was performed using borehole data primarily. This resulted in the identification of previously known structures and other hitherto unsuspected structural features. Consequently, the location, trends, and geometry of faults and some regional features within the Rustenburg Layered Suite (RLS) that might not be easy to detect through field mapping are adequately described in this study.

  4. Powder diffraction studies using anomalous dispersion

    International Nuclear Information System (INIS)

    Cox, D.E.; Wilkinson, A.P.

    1993-01-01

    With the increasing availability and accessibility of high resolution powder diffractometers at many synchrotron radiation sources throughout the world, there is rapidly-growing interest in the exploitation of anomalous dispersion techniques for structural studies of polycrystalline materials. In conjunction with the Rietveld profile method for structure refinement, such studies are especially useful for the determination of the site distributions of two or more atoms which are near neighbors in the periodic table, or atoms which are distributed among partially occupied sites. Additionally, it is possible to (1) determine the mean-square displacements associated with different kinds of atoms distributed over a single set of sites, (2) distinguish between different oxidation states and coordination geometries of a particular atom in a compound and (3) to determine f' for a wide range of atomic species as a function of energy in the vicinity of an absorption edge. Experimental methods for making anomalous dispersion measurements are described in some detail, including data collection strategies, data analysis and correlation problems, possible systematic errors, and the accuracy of the results. Recent work in the field is reviewed, including cation site-distribution studies (e.g. doped high T c superconductors, ternary alloys, FeCo 2 (PO 4 ) 3 , FeNi 2 BO 5 ), oxidation-state contrast (e.g. YBa 2 Cu 3 O 6+x , Eu 3 O 4 , GaCl 2 , Fe 2 PO 5 ), and the effect of coordination geometry (e.g. Y 3 Ga 5 O l2 )

  5. A functional approach to the structural complexity of coral assemblages based on colony morphological features.

    Science.gov (United States)

    Denis, Vianney; Ribas-Deulofeu, Lauriane; Sturaro, Nicolas; Kuo, Chao-Yang; Chen, Chaolun Allen

    2017-08-29

    Colony morphological features is among the best predictor of the scleractinian coral's function in reef ecosystems. However, morphological traits are categorical and to convert this information into a quantitative value as well as estimate their influence on ecosystem process remain a challenge. Here, we propose a trait-based approach to quantify morphological diversity and assess the structural complexity of the habitat provided by corals. We used a previously published dataset that is related to a bleaching event that affected the coral reef off Tikus Island in Indonesia in 1983. We found clear signs of recovery of the coral assemblage's complexity toward pre El Niño conditions five years after the event. Independent of the change observed in species richness, this return in structural complexity was accompanied by a global decrease in species number associated with each particular morphological entity (Functional Redundancy) and an increase in the number of single-species entities (Functional Vulnerability). Together with species loss, we show an overall functional erosion of the coral assemblage and suggest that the role of the coral reef habitat could be strongly imperiled under repeated or synergistic disturbances. This approach offers an opportunity for a better understanding of coral responses to natural and anthropogenic disturbances.

  6. Permeability estimations and frictional flow features passing through porous media comprised of structured microbeads

    Science.gov (United States)

    Shin, C.

    2017-12-01

    Permeability estimation has been extensively researched in diverse fields; however, methods that suitably consider varying geometries and changes within the flow region, for example, hydraulic fracture closing for several years, are yet to be developed. Therefore, in the present study a new permeability estimation method is presented based on the generalized Darcy's friction flow relation, in particular, by examining frictional flow parameters and characteristics of their variations. For this examination, computational fluid dynamics (CFD) simulations of simple hydraulic fractures filled with five layers of structured microbeads and accompanied by geometry changes and flow transitions are performed. Consequently, it was checked whether the main structures and shapes of each flow path are preserved, even for geometry variations within porous media. However, the scarcity and discontinuity of streamlines increase dramatically in the transient- and turbulent-flow regions. The quantitative and analytic examinations of the frictional flow features were also performed. Accordingly, the modified frictional flow parameters were successfully presented as similarity parameters of porous flows. In conclusion, the generalized Darcy's friction flow relation and friction equivalent permeability (FEP) equation were both modified using the similarity parameters. For verification, the FEP values of the other aperture models were estimated and then it was checked whether they agreed well with the original permeability values. Ultimately, the proposed and verified method is expected to efficiently estimate permeability variations in porous media with changing geometric factors and flow regions, including such instances as hydraulic fracture closings.

  7. A set-theoretic approach to linguistic feature structures and unification algorithms (I

    Directory of Open Access Journals (Sweden)

    N. Curteanu

    2000-10-01

    Full Text Available The paper proposes formal inductive definitions for linguistic feature structures (FSs taking values within a class of value types or sorts: single, disjunctive, (ordered lists, multisets (or bags, po-multisets (multisets embedded into a partially ordered set, and indexed (re-entrance values. The linguistic realization (semantics of the considered sorts is proposed. The FSs having these multi-sort values are organized as (rooted directed acyclic graphs. The concrete model of the FSs we had in mind for our set-theoretic definitions are the FSs used within the well-known HPSG linguistic theory. Set-theoretic general definitions for the proposed multi-sort FSs are defined. These constructive definitions start from atomic values and build recurrently multi-sorted values and structures, providing naturally a fixed-point semantics of the obtained FSs as a counterpart to the large class of logical semantics models on FSs. The linguistic unification algorithm based on tableau-subsumption is outlined. The Prolog code of the unification algorithm is provided and results of running it on some of the main multi-sort FSs is enclosed in the appendices. We consider the proposed formal approach to FS definitions and unification as necessary steps to set-theoretical implementations of natural language processing systems.

  8. A set-theoretic approach to linguistic feature structures and unification algorithms (II

    Directory of Open Access Journals (Sweden)

    N.Curteanu

    2001-02-01

    Full Text Available The paper proposes formal inductive definitions for linguistic feature structures (FSs taking values within a class of value types or sorts: single, disjunctive, (ordered lists, multisets (or bags, po-multisets (multisets embedded into a partially ordered set, and indexed (re-entrance values. The linguistic realization (semantics of the considered sorts is proposed. The FSs having these multi-sort values are organized as (rooted directed acyclic graphs. The concrete model of the FSs we had in mind for our set-theoretic definitions are the FSs used within the well-known HPSG linguistic theory. Set-theoretic general definitions for the proposed multi-sort FSs are defined. These constructive definitions start from atomic values and build recurrent multi-sorted values and structures, providing naturally a fixed-point semantics of the obtained FSs as a counterpart to the large class of logical semantics models on FSs. The linguistic unification algorithm based on tableau-subsumption is outlined. The Prolog code of the unification algorithm is provided and results of running it on some of the main multi-sort FSs is enclosed in the appendices. We consider the proposed formal approach to FSs definitions and unification as necessary steps to set-theoretical implementations of natural language processing systems.

  9. Extra-zonal beech forests in Tuscany: structure, diversity and synecologic features

    Directory of Open Access Journals (Sweden)

    Viciani D

    2011-07-01

    Full Text Available The present paper focuses on the structural, synecological and floristic diversity features of beech-dominated forest communities in four major areas of the Antiapenninic Tyrrhenian system in Tuscany: Metalliferous hills, mountains to the south of Mt. Amiata, volcanic area of the upper Lente valley and Mt. Cetona. These are relict woodlands of Holo-Pleistocene origin with a special ecological and conservation value due to their extrazonal location in lowland submediterranean areas. Results show substantial among-area differences in structure, synecology and plant species composition, but in general a potential for coppices to reach the tall forest stage, as demonstrated by the old-growth stands of Pietraporciana and Sassoforte. Compared with montane Apenninic beechwoods, the relatively rich flora of the studied communities include thermophilous species with a southern Apennine-Balkan distribution, making their syntaxonomical position unclear. Closer affinities are found with the calcicolous Beech Forests of the association and with the silicicolous ones of the . Based on the Natura 2000 system, all the examined communities belong to the priority Habitat “Apennine beech forests with and ” (code: 9210*. Due their relict nature, these biotopes appear vulnerable to climate changes and to a production-oriented forest management. Criteria of naturalistic silviculture should instead promote the dynamic development of these communities towards tall forests and their natural regeneration.

  10. Features of the electronic structure of the active center of an HbS molecule

    Science.gov (United States)

    Novoselov, D. Yu.; Korotin, Dm. M.; Anisimov, V. I.

    2016-01-01

    Features of the electronic structure of the nonprotein part of the mutant form of the human hemoglobin molecule, HbS, are studied along with the magnetic state of the iron ion that is the "nucleus" of the active center of the molecule. It is found that the mutant form of the HbS molecule differs from a normal hemoglobin molecule by the distortion of the local environment of the iron ion, which changes the energy level splitting by a crystal field. As a result of ab initio calculations, the magnetic transition in the iron atom from the high-spin state to the low-spin state upon the addition of molecular oxygen to hemoglobin molecule is reproduced. It is established for the first time that a change in the crystal and electronic structure of the active center as a result of a mutation can lead to a substantial change in the energy of the bond between the active center of the hemoglobin molecule and an oxygen molecule.

  11. Novel structural features of the immunocompetent ceramide phospho-inositol glycan core from Trichomonas vaginalis.

    Science.gov (United States)

    Heiss, Christian; Wang, Zhirui; Black, Ian; Azadi, Parastoo; Fichorova, Raina N; Singh, Bibhuti N

    2016-01-01

    The ceramide phosphoinositol glycan core (CPI-GC) of the lipophosphoglycan of Trichomonas vaginalis is a major virulent factor of this common genitourinary parasite. While its carbohydrate composition has been reported before, its structure has remained largely unknown. We isolated the glycan portions of CPI-GC by nitrous acid deamination and hydrofluoric acid treatment and investigated their structures by methylation analysis and 1- and 2-D NMR. We found that the α-anomer of galactose is a major constituent of CPI-GC. The β-anomer was found exclusively at the non-reducing end of CPI-GC side chains. Furthermore the data showed that the rhamnan backbone is more complex than previously thought and that the inositol residue at the reducing end is linked to a 4-linked α-glucuronic acid (GlcA) residue. This appears to be the most striking and novel feature of this GPI-anchor type molecule. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Correlations between preparation methods, structural features and electrochemical Li-storage behavior of reduced graphene oxide.

    Science.gov (United States)

    Sonia, Farjana J; Kalita, Hemen; Aslam, M; Mukhopadhyay, Amartya

    2017-08-10

    Wide differences in the structural features of graphenic carbon, especially in the case of reduced graphene oxides (rGO), are expected to have considerable impacts on the properties, thus leading to significant scatter and poor understanding/prediction of their performances for various applications, including as electrode materials for electrochemical Li-storage. In this context, the present work develops a comprehensive understanding (via thorough experimentation, including in situ X-ray diffraction studies, and analysis) on the effects of graphene oxide (GO) reduction methods/conditions on the structural features (mainly 'graphenic' ordering) and concomitant influences of the same on electrochemical Li-storage behavior. 'Moderately oxidized' GO (O/C ∼0.41) was reduced via three different methods, viz., (i) using hydrazine hydrate vapor at room temperature (rGO-H; O/C ∼0.23), (ii) thermal reduction by annealing at just 500 °C (rGO-A; O/C ∼0.20) and (iii) hydrazine treatment, followed by the same annealing treatment (rGO-HA; O/C ∼0.17). Raman spectroscopy, in situ X-ray diffraction recorded during annealing and high resolution TEM imaging indicate that while GO and rGO-H had considerable defect contents [I(D)/I(G) ∼1.4 for rGO-H], including a very non-uniform interlayer spacing (varying between 3.1 and 3.6 Å), the 500 °C annealed rGO-A and rGO-HA had significantly reduced defect contents [I(D)/I(G) ∼0.6] and near-perfect 'graphenic' ordering with a uniform interlayer spacing of ∼3.35 Å. Despite the nanoscaled dimensions, defect structures, especially the non-uniform interlayer spacing, resulted in relatively poor reversible Li-capacity and rate capability for the non-annealed rGO-H, even in comparison to the bulk graphitic carbon. By contrast, the annealed rGOs, especially the rGO-HA, not only possessed a superior reversible Li-capacity of ∼450 mA h g -1 (at C/20), but also exhibited a significantly improved rate capability (even compared to

  13. Anomalous structural evolution and √ 3 x√ 3 reconstruction of a clean Si(111) surface observed after thermal desorption of thallium

    Czech Academy of Sciences Publication Activity Database

    Kocán, P.; Krejčí, Ondřej; Tochihara, H.

    2015-01-01

    Roč. 33, č. 2 (2015), "021408-1"-"021408-8" ISSN 0734-2101 Institutional support: RVO:68378271 Keywords : surface structure * Si(111) * thallium * LEED * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.724, year: 2015

  14. Characterizing structural features of cuticle-degrading proteases from fungi by molecular modeling

    Directory of Open Access Journals (Sweden)

    Fu Yun-Xin

    2007-05-01

    Full Text Available Abstract Background Serine proteases secreted by nematode and insect pathogenic fungi are bio-control agents which have commercial potential for developing into effective bio-pesticides. A thorough understanding of the structural and functional features of these proteases would significantly assist with targeting the design of efficient bio-control agents. Results Structural models of serine proteases PR1 from entomophagous fungus, Ver112 and VCP1 from nematophagous fungi, have been modeled using the homology modeling technique based on the crystal coordinate of the proteinase K. In combination with multiple sequence alignment, these models suggest one similar calcium-binding site and two common disulfide bridges in the three cuticle-degrading enzymes. In addition, the predicted models of the three cuticle-degrading enzymes present an essentially identical backbone topology and similar geometric properties with the exception of a limited number of sites exhibiting relatively large local conformational differences only in some surface loops and the N-, C termini. However, they differ from each other in the electrostatic surface potential, in hydrophobicity and size of the S4 substrate-binding pocket, and in the number and distribution of hydrogen bonds and salt bridges within regions that are part of or in close proximity to the S2-loop. Conclusion These differences likely lead to variations in substrate specificity and catalytic efficiency among the three enzymes. Amino acid polymorphisms in cuticle-degrading enzymes were discussed with respect to functional effects and host preference. It is hoped that these structural models would provide a further basis for exploitation of these serine proteases from pathogenic fungi as effective bio-control agents.

  15. Novel RNA structural features of an alternatively splicing group II intron from Clostridium tetani.

    Science.gov (United States)

    McNeil, Bonnie A; Zimmerly, Steven

    2014-06-01

    Group II introns are ribozymes in bacterial and organellar genomes that function as self-splicing introns and as retroelements. Previously, we reported that the group II intron C.te.I1 of Clostridium tetani alternatively splices in vivo to produce five distinct coding mRNAs. Accurate fusion of upstream and downstream reading frames requires a shifted 5' splice site located 8 nt upstream of the usual 5' GUGYG motif. This site is specified by the ribozyme through an altered intron/exon-binding site 1 (IBS1-EBS1) pairing. Here we use mutagenesis and self-splicing assays to investigate in more detail the significance of the structural features of the C.te.I1 ribozyme. The shifted 5' splice site is shown to be affected by structures in addition to IBS1-EBS1, and unlike other group II introns, C.te.I1 appears to require a spacer between IBS1 and the GUGYG motif. In addition, the mechanism of 3' exon recognition is modified from the ancestral IIB mechanism to a IIA-like mechanism that appears to be longer than the typical single base-pair interaction and may extend up to 4 bp. The novel ribozyme properties that have evolved for C.te.I1 illustrate the plasticity of group II introns in adapting new structural and catalytic properties that can be utilized to affect gene expression. © 2014 McNeil and Zimmerly; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

  16. Three-Dimensional Elastomeric Scaffolds Designed with Cardiac-Mimetic Structural and Mechanical Features

    Science.gov (United States)

    Neal, Rebekah A.; Jean, Aurélie; Park, Hyoungshin; Wu, Patrick B.; Hsiao, James; Engelmayr, George C.; Langer, Robert

    2013-01-01

    Tissue-engineered constructs, at the interface of material science, biology, engineering, and medicine, have the capacity to improve outcomes for cardiac patients by providing living cells and degradable biomaterials that can regenerate the native myocardium. With an ultimate goal of both delivering cells and providing mechanical support to the healing heart, we designed three-dimensional (3D) elastomeric scaffolds with (1) stiffnesses and anisotropy mimicking explanted myocardial specimens as predicted by finite-element (FE) modeling, (2) systematically varied combinations of rectangular pore pattern, pore aspect ratio, and strut width, and (3) structural features approaching tissue scale. Based on predicted mechanical properties, three scaffold designs were selected from eight candidates for fabrication from poly(glycerol sebacate) by micromolding from silicon wafers. Large 20×20 mm scaffolds with high aspect ratio features (5:1 strut height:strut width) were reproducibly cast, cured, and demolded at a relatively high throughput. Empirically measured mechanical properties demonstrated that scaffolds were cardiac mimetic and validated FE model predictions. Two-layered scaffolds providing fully interconnected pore networks were fabricated by layer-by-layer assembly. C2C12 myoblasts cultured on one-layered scaffolds exhibited specific patterns of cell elongation and interconnectivity that appeared to be guided by the scaffold pore pattern. Neonatal rat heart cells cultured on two-layered scaffolds for 1 week were contractile, both spontaneously and in response to electrical stimulation, and expressed sarcomeric α-actinin, a cardiac biomarker. This work not only demonstrated several scaffold designs that promoted functional assembly of rat heart cells, but also provided the foundation for further computational and empirical investigations of 3D elastomeric scaffolds for cardiac tissue engineering. PMID:23190320

  17. Small-scale structure and the Lyman-α forest baryon acoustic oscillation feature

    Science.gov (United States)

    Hirata, Christopher M.

    2018-02-01

    The baryon-acoustic oscillation (BAO) feature in the Lyman-α forest is a key probe of the cosmic expansion rate at redshifts z ˜ 2.5, well before dark energy is believed to have become significant. A key advantage of the BAO as a standard ruler is that it is a sharp feature and hence is more robust against broad-band systematic effects than other cosmological probes. However, if the Lyman-α forest transmission is sensitive to the initial streaming velocity of the baryons relative to the dark matter, then the BAO peak position can be shifted. Here we investigate this sensitivity using a suite of hydrodynamic simulations of small regions of the intergalactic medium with a range of box sizes and physics assumptions; each simulation starts from initial conditions at the kinematic decoupling era (z ˜ 1059), undergoes a discrete change from neutral gas to ionized gas thermal evolution at reionization (z ˜ 8), and is finally processed into a Lyman-α forest transmitted flux cube. Streaming velocities suppress small-scale structure, leading to less violent relaxation after reionization. The changes in the gas distribution and temperature-density relation at low redshift are more subtle, due to the convergent temperature evolution in the ionized phase. The change in the BAO scale is estimated to be of the order of 0.12 per cent at z = 2.5; some of the major uncertainties and avenues for future improvement are discussed. The predicted streaming velocity shift would be a subdominant but not negligible effect (of order 0.26σ) for the upcoming DESI Lyman-α forest survey, and exceeds the cosmic variance floor.

  18. A variable-order fractal derivative model for anomalous diffusion

    Directory of Open Access Journals (Sweden)

    Liu Xiaoting

    2017-01-01

    Full Text Available This paper pays attention to develop a variable-order fractal derivative model for anomalous diffusion. Previous investigations have indicated that the medium structure, fractal dimension or porosity may change with time or space during solute transport processes, results in time or spatial dependent anomalous diffusion phenomena. Hereby, this study makes an attempt to introduce a variable-order fractal derivative diffusion model, in which the index of fractal derivative depends on temporal moment or spatial position, to characterize the above mentioned anomalous diffusion (or transport processes. Compared with other models, the main advantages in description and the physical explanation of new model are explored by numerical simulation. Further discussions on the dissimilitude such as computational efficiency, diffusion behavior and heavy tail phenomena of the new model and variable-order fractional derivative model are also offered.

  19. COMPETITIVE FEATURES IN THE MARKET STRUCTURE OF HOUSING PROPERTY WITH REGARD TO REGIONAL DEFINITIONS

    Directory of Open Access Journals (Sweden)

    Kostyantyn Pavlov

    2017-09-01

    Full Text Available The subject of research. Given the steady demand for residential real estate, the low solvency of the population, and unbalanced development of individual segments of the regional housing market, competition issues and the mechanism of its operation, today is very relevant. Real estate is one of the components of the national economy because it carries more than half of total world wealth and its stable functioning is one of the most complex processes of market transformations occurring in the country. Active functioning property markets are a prerequisite for the sustainable development of cities and regions of the country. This development is the basis for the effective management of regional and implemented in the system of national governance and local governance. In modern terms, Ukraine is at the stage of the market system, one of which is real estate market. From the way, the subject of study is a competitive relationship, and especially their formation in the regional real estate market. Methodology. In order to carry out a thorough study, there was elaborated numerous scientific literature authored by leading scientists of Ukraine, Europe, and the former Soviet Union camp to define the concepts of “competition”, “regional market”, “real estate”, “residential property”. According to the research of current problems and competitive features in the structure of the real estate market on the basis of regional specificity, a logical systematization of these concepts is made. Results of the research allowed us to “carry” a clear parallel between the correlation of factors and competitive impact on the regional real estate market of the potential buyers, the developer and manufacturer of products directly to real estate as an object relationship. Practical implications. The article is to study the specific competitive position in the regional real estate market in Ukraine and also features of exposure to it by consumers

  20. Fundamental structural aspects and features in the bioengineering of the gas exchangers: comparative perspectives.

    Science.gov (United States)

    Maina, J N

    2002-01-01

    the ubiquitous method of transfer of O2 across biological tissues. Gills, evaginated gas exchangers, were the primordial respiratory organs that evolved for water breathing, whereas lungs (invaginated gas exchangers) developed for terrestrial (air) breathing. Transitional (= bimodal = amphibious) breathing has evolved in animals with specialized organs that extract O2 from both water and air. Lungs are tidally (= bidirectionally) ventilated, while gills are unidirectionally ventilated, a feature that allows the highly efficient counter-current disposition between blood and water. Since animals occupy inconstant environmental milieus and their metabolic states vary, gas exchangers are designed to operate optimally across a spectrum of conditions that range from resting to exercise and even under hypoxia. Inbuilt structural and functional flexibility provides the requisite safety factors that allow adjustments to modest pressures. The fundamental structural features that determine the respiratory function of a gas exchanger are respiratory surface area, thickness of the blood-water/gas (tissue) barrier and volume of the pulmonary capillary blood. The diffusing capacity of a gas exchanger correlates directly with the surface area and inversely with the thickness of the blood-water/gas (tissue) barrier. An extensive surface area is generated in gills by extensive stratification of the gas exchanger and in lungs by profuse internal subdivision. Compartmentalization yields small terminal gas exchange compartments that compel greater commitment of energy to ventilate. The surfactant, a phospholipid lining, reduces the forces of surface tension at the air-water interface. This attenuates the propensity of physical collapse of the minute gas exchange units and minimizes the cost of ventilation. The surfactant characterizes all the gas exchangers derived from the piscine air bladder. In the lower air-breathing vertebrates, such as the lungfishes (Dipnoi), amphibians and certain

  1. Magnetic effects in anomalous dispersion

    International Nuclear Information System (INIS)

    Blume, M.

    1992-01-01

    Spectacular enhancements of magnetic x-ray scattering have been predicted and observed experimentally. These effects are the result of resonant phenomena closely related to anomalous dispersion, and they are strongest at near-edge resonances. The theory of these resonances will be developed with particular attention to the symmetry properties of the scatterer. While the phenomena to be discussed concern magnetic properties the transitions are electric dipole or electric quadrupole in character and represent a subset of the usual anomalous dispersion phenomena. The polarization dependence of the scattering is also considered, and the polarization dependence for magnetic effects is related to that for charge scattering and to Templeton type anisotropic polarization phenomena. It has been found that the strongest effects occur in rare-earths and in actinides for M shell edges. In addition to the scattering properties the theory is applicable to ''forward scattering'' properties such as the Faraday effect and circular dichroism

  2. Machine learning for the automatic detection of anomalous events

    Science.gov (United States)

    Fisher, Wendy D.

    In this dissertation, we describe our research contributions for a novel approach to the application of machine learning for the automatic detection of anomalous events. We work in two different domains to ensure a robust data-driven workflow that could be generalized for monitoring other systems. Specifically, in our first domain, we begin with the identification of internal erosion events in earth dams and levees (EDLs) using geophysical data collected from sensors located on the surface of the levee. As EDLs across the globe reach the end of their design lives, effectively monitoring their structural integrity is of critical importance. The second domain of interest is related to mobile telecommunications, where we investigate a system for automatically detecting non-commercial base station routers (BSRs) operating in protected frequency space. The presence of non-commercial BSRs can disrupt the connectivity of end users, cause service issues for the commercial providers, and introduce significant security concerns. We provide our motivation, experimentation, and results from investigating a generalized novel data-driven workflow using several machine learning techniques. In Chapter 2, we present results from our performance study that uses popular unsupervised clustering algorithms to gain insights to our real-world problems, and evaluate our results using internal and external validation techniques. Using EDL passive seismic data from an experimental laboratory earth embankment, results consistently show a clear separation of events from non-events in four of the five clustering algorithms applied. Chapter 3 uses a multivariate Gaussian machine learning model to identify anomalies in our experimental data sets. For the EDL work, we used experimental data from two different laboratory earth embankments. Additionally, we explore five wavelet transform methods for signal denoising. The best performance is achieved with the Haar wavelets. We achieve up to 97

  3. Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous (19)F-NMR spectra of fluorohistidine isomers and analogues.

    Science.gov (United States)

    Kasireddy, Chandana; Bann, James G; Mitchell-Koch, Katie R

    2015-11-11

    Fluorine NMR spectroscopy is a powerful tool for studying biomolecular structure, dynamics, and ligand binding, yet the origins of (19)F chemical shifts are not well understood. Herein, we use electronic structure calculations to describe the changes in (19)F chemical shifts of 2F- and 4F-histidine/(5-methyl)-imidazole upon acid titration. While the protonation of the 2F species results in a deshielded chemical shift, protonation of the 4F isomer results in an opposite, shielded chemical shift. The deshielding of 2F-histidine/(5-methyl)-imidazole upon protonation can be rationalized by concomitant decreases in charge density on fluorine and a reduced dipole moment. These correlations do not hold for 4F-histidine/(5-methyl)-imidazole, however. Molecular orbital calculations reveal that for the 4F species, there are no lone pair electrons on the fluorine until protonation. Analysis of a series of 4F-imidazole analogues, all with delocalized fluorine electron density, indicates that the deshielding of (19)F chemical shifts through substituent effects correlates with increased C-F bond polarity. In summary, the delocalization of fluorine electrons in the neutral 4F species, with gain of a lone pair upon protonation may help explain the difficulty in developing a predictive framework for fluorine chemical shifts. Ideas debated by chemists over 40 years ago, regarding fluorine's complex electronic effects, are shown to have relevance for understanding and predicting fluorine NMR spectra.

  4. Demystifying fluorine chemical shifts: Electronic structure calculations address origins of seemingly anomalous 19F-NMR spectra of fluorohistidine isomers and analogues

    Science.gov (United States)

    Kasireddy, Chandana; Bann, James G.

    2015-01-01

    Fluorine NMR spectroscopy is a powerful tool for studying biomolecular structure, dynamics, and ligand binding, yet the origins of 19F chemical shifts are not well understood. Herein, we use electronic structure calculations to describe the changes in 19F chemical shifts of 2F- and 4F-histidine/(5-methyl)-imidazole upon acid titration. While the protonation of the 2F species results in a deshielded chemical shift, protonation of the 4F results in an opposite, shielded chemical shift. The deshielding of 2F-histidine/(5-methyl)-imidazole upon protonation can be rationalized by concomitant decreases in charge density on fluorine and a reduced dipole moment. These correlations do not hold for 4F-histidine/(5-methyl)-imidazole, however. Molecular orbital calculations reveal that for the 4F species, there are no lone pair electrons on the fluorine until protonation. Analysis of a series of 4F-imidazole analogues, all with delocalized fluorine electron density, indicates that the deshielding of 19F chemical shifts through substituent effects correlates with increased C-F bond polarity. In summary, the delocalization of fluorine electrons in the neutral 4F species, with gain of a lone pair upon protonation may help explain the difficulty in developing a predictive framework for fluorine chemical shifts. Ideas debated by chemists over 40 years ago, regarding fluorine's complex electronic effects, are shown to have relevance for understanding and predicting fluorine NMR spectra. PMID:26524669

  5. Colligative properties of anomalous water.

    Science.gov (United States)

    Everett, D H; Haynes, J M; McElroy, P J

    1970-06-13

    Investigations of the phase behaviour on freezing and subsequent melting and of other properties indicate that anomalous water is a solution containing a fixed amount of relatively involatile material in normal water. There seems to be no need to postulate the existence of a new polymer of water in such solutions. If only water and silica are present, the properties are consistent with those of a silicic acid gel.

  6. Horizon universality and anomalous conductivities

    Energy Technology Data Exchange (ETDEWEB)

    Gürsoy, Umut [Institute for Theoretical Physics and Spinoza Institute, Utrecht University,3508 TD Utrecht (Netherlands); Tarrío, Javier [Departament de Física Fonamental and Institut de Ciències del Cosmos,Universitat de Barcelona, Martí i Franquès 1, ES-08028, Barcelona (Spain)

    2015-10-08

    We show that the value of chiral conductivities associated with anomalous transport is universal in a general class of strongly coupled quantum field theories that admit a gravitational holographic dual in the large N limit. Our result only applies to theories in the presence of external gauge fields with no dynamical gluon fields. On the gravity side the result follows from near horizon universality of the fluctuation equations, similar to the holographic calculation of the shear viscosity.

  7. Structure and origin of Australian ring and dome features with reference to the search for asteroid impact events

    Science.gov (United States)

    Glikson, Andrew

    2018-01-01

    Ring, dome and crater features on the Australian continent and shelf include (A) 38 structures of confirmed or probable asteroid and meteorite impact origin and (B) numerous buried and exposed ring, dome and crater features of undefined origin. A large number of the latter include structural and geophysical elements consistent with impact structures, pending test by field investigations and/or drilling. This paper documents and briefly describes 43 ring and dome features with the aim of appraising their similarities and differences from those of impact structures. Discrimination between impact structures and igneous plugs, volcanic caldera and salt domes require field work and/or drilling. Where crater-like morphological patterns intersect pre-existing linear structural features and contain central morphological highs and unique thrust and fault patterns an impact connection needs to tested in the field. Hints of potential buried impact structures may be furnished by single or multi-ring TMI patterns, circular TMI quiet zones, corresponding gravity patterns, low velocity and non-reflective seismic zones.

  8. Anomalous inelastic neutron scattering from calcite

    International Nuclear Information System (INIS)

    Dove, M.T.; Harris, M.J.; Winkler, B.; Hagen, M.E.; Keele Univ.; Powell, B.M.; Steigenberger, U.

    1992-01-01

    Inelastic neutron scattering measurements on calcite (CaCO 3 ) in its low temperature phase have revealed the existence of an unusual column of inelastic scattering at the wavevector corresponding to the F point of the high temperature Brillouin zone. At the same wavevector there is also a transverse acoustic soft mode and the column of scattering ranges in energy from zero up to the soft mode. The intensity of the anomalous scattering increases rapidly with temperature, and is consistent with an Arrhenius relation of the form exp(-T * /T), where T * = 1035 K. We speculate that this scattering arises from thermal fluctuations of the calcite structure into a different ordered structure, which is related to an ordering instability at the F point. Evidence for this possibility has also been obtained from lattice energy calculations. (author)

  9. Structural features of the αβTCR mechanotransduction apparatus that promote pMHC discrimination

    Directory of Open Access Journals (Sweden)

    Kristine N Brazin

    2015-09-01

    Full Text Available The αβTCR was recently revealed to function as a mechanoreceptor. That is, it leverages mechanical energy generated during immune surveillance and at the immunological synapse to drive biochemical signaling following ligation by a specific foreign peptide-MHC complex (pMHC. Here we review the structural features that optimize this transmembrane receptor for mechanotransduction. Specialized adaptations include: 1 the CβFG loop region positioned between Vβ and Cβ domains that allosterically gates both dynamic TCR-pMHC bond formation and lifetime; 2 the rigid super β-sheet amalgams of heterodimeric CD3εγ as well as CD3εδ ectodomain components of the αβTCR complex; 3 the αβTCR subunit connecting peptides (CP linking the extracellular and transmembrane (TM segments, particularly the oxidized CxxC motif in each CD3 heterodimeric subunit that facilitates force transfer through the TM segments and surrounding lipid, impacting cytoplasmic tail conformation; and 4 quaternary changes in the αβTCR complex that accompany pMHC ligation under load. How bioforces foster specific αβTCR-based pMHC discrimination and why dynamic bond formation is a primary basis for kinetic proofreading are discussed. We suggest that the details of the molecular rearrangements of individual αβTCR subunit components can be analyzed utilizing a combination of structural biology, single molecule FRET, optical tweezers and nanobiology, guided by insightful atomistic molecular dynamic studies. Finally, we review very recent data showing that the preTCR complex employs a similar mechanobiology to that of the αβTCR to interact with self-pMHC ligands, impacting early thymic repertoire selection prior to the CD4+CD8+ double positive thymocyte stage of development.

  10. Molecular dimensions and structural features of neutral polysaccharides from the seed mucilage of Hyptis suaveolens L.

    Science.gov (United States)

    Praznik, Werner; Čavarkapa, Andrea; Unger, Frank M; Loeppert, Renate; Holzer, Wolfgang; Viernstein, Helmut; Mueller, Monika

    2017-04-15

    The seed mucilage of Hyptis suaveolens L. includes acid - and neutral heteropolysaccharides in a ratio of about 1:1. The anionic charged fraction responsible for swelling and viscous behaviour possesses an average molar mass of Mw=350kg/mol, Mn=255kg/mol. The neutral polysaccharide fraction shows an average molar mass of Mw=47kg/mol and Mn=28kg/mol and is composed of d-Galp-, d-Glcp- and d-Manp residues in a molar ratio of about 3:2:1. The structural features present galactoglucan (30%) and galactoglucomannan (70%) with a high level of terminal β-linked d-Galp residues (18%). Structural details of galactoglucomannan are derived by combined enzymatic and chemical methods as well as NMR spectroscopy. Sequences of octa/nonasaccharide β-d-Glcp-(1→4)[β-d-Galp-(1→2)-α-d-Galp-(1→6)]-β-d-Manp-(1→4)-β-d-Glcp-(1→4)-β-d-Glcp-(1→4)[β-d-Galp-(1→2)-α-d-Galp-(1→6)]-β-d-Manp and lower mass tetrasaccharide repeating units β-d-Glcp-(1→4)[β-d-Galp-(1→2)-α-d-Galp-(1→6)]-β-d-Manp were found. The level of the prebiotic activity is related to the availability of β-linked d-Galp residues in the side chains of the molecules. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Anomalous Stars and Where to Find Them

    Science.gov (United States)

    Muna, Demitri; Huff, Eric

    2018-01-01

    The sky is now extensively mapped by imaging surveys in wavelengths that span the electromagnetic spectrum, ranging from Fermi and GALEX down to WISE, Planck, and radio surveys like FIRST and VLSS. Individual public catalogs now contain on order hundreds of millions of distinct sources. Recent progress in image analysis techniques makes possible great increases in the efficiency, sensitivity, and reliability of measurements that combine imaging data from multiple probes with heterogeneous properties. This is especially true for the identification of anomalous sources: traditional methods for finding ‘outliers’ typically rely on making hard cuts on noisy catalog properties, greatly restricting the potential discovery space. Cross-catalog matches confine investigation to objects that occur at signal-to-noise ratios sufficient to be independently detectable in a subset of all the available multi-wavelength coverage. The process of merging the latest analyses with existing data is severely hampered, however, by the fractured way in which these data are processed and stored, limitations of data access, the data volume involved, and the computation power required. This has left archive data far from fully exploited. Stellar anomalies present the best place to start: joint distributions of stellar colors and magnitudes have finer structures than extended sources, and modelling of point sources is computationally cheaper than for galaxies. We present a framework to solve the problem of applying new algorithms to old data while overcoming the limitations described above, in the search for the undiscovered anomalous.

  12. An index of anomalous convective instability to detect tornadic and hail storms

    Science.gov (United States)

    Qian, Weihong; Leung, Jeremy Cheuk-Hin; Luo, Weimeng; Du, Jun; Gao, Jidong

    2017-12-01

    In this article, the synoptic-scale spatial structures for raising tornadic and hail storms are compared by analyzing the total and anomalous variable fields from the troposphere to the stratosphere. 15 cases of tornado outbreaks and 20 cases of hail storms that occurred in the central United States during 1980-2011 were studied. The anomalous temperature-height field shows that a tornadic or hail storm usually occurs at the boundary of anomalous warm and cold air masses horizontally in the troposphere. In one side, an anomalous warm air mass in the mid-low troposphere and an anomalous cold air mass in the stratosphere are vertically separated by a positive center of height anomalies at the upper troposphere. In another side, an opposite vertical pattern shows that an anomalous cold air mass in the mid-low troposphere and an anomalous warm air mass in the stratosphere are separated by a negative center of height anomalies at the upper troposphere. Therefore, two pairs of adjacent anomalous warm/cold centers and one pair of anomalous high/low centers combining together form a major tornadic or hail storm paradigm, which can be physically considered as the storage of anomalous potential energy (APE) to generate severe weather. To quantitatively measure the APE, we define an index of anomalous convective instability (ACI) which is a difference of integrating temperature anomalies based on two vertically opposite anomalous air masses. The APE transformation to anomalous kinetic energy, which reduces horizontal and vertical gradients of temperature anomalies, produces anomalous rising and sinking flows in the lower-layer anomalous warm and cold air mass sides, respectively. The intensity of ACI index for tornadic storm cases is 1.5 times larger than that of hail storm cases in average. Thus, this expression of anomalous variables is better than total variables used in the traditional synoptic chart and the ACI index is better than other indices to detect potential

  13. A microscopy study of the structural features of post-LASIK human corneas.

    Directory of Open Access Journals (Sweden)

    Mohammad Abahussin

    Full Text Available To study the structural features of human post-LASIK corneas.A pair of post-mortem donor corneas, from a 55-year old patient who underwent uncomplicated LASIK surgery five years previously, were bisected and fixed in 4% paraformaldehyde. The right cornea and one half of the left cornea were processed for light microscopy and scanning electron microscopy. One half of the right cornea was also examined by transmission electron microscopy.The flap-bed interface could be easily detected several years after LASIK and, although the flap appeared to be in close association with the stromal bed, there was a noticeable absence of reconnection between adjacent severed lamellae. Tissue gaps were evident at the flap margin, which once free of cellular components revealed the presence of a few bridging fibres.Examination of corneas five years after LASIK revealed evidence of primitive reparative scar development at the wound interface, but no reconnection of severed collagen lamellae. Such findings may explain the occurrence of flap dislocation following trauma in some patients months or years after surgery.

  14. Mental Imagery Scale: a new measurement tool to assess structural features of mental representations

    International Nuclear Information System (INIS)

    D'Ercole, Martina; Giannini, Anna Maria; Castelli, Paolo; Sbrilli, Antonella

    2010-01-01

    Mental imagery is a quasi-perceptual experience which resembles perceptual experience, but occurring without (appropriate) external stimuli. It is a form of mental representation and is often considered centrally involved in visuo-spatial reasoning and inventive and creative thought. Although imagery ability is assumed to be functionally independent of verbal systems, it is still considered to interact with verbal representations, enabling objects to be named and names to evoke images. In literature, most measurement tools for evaluating imagery capacity are self-report instruments focusing on differences in individuals. In the present work, we applied a Mental Imagery Scale (MIS) to mental images derived from verbal descriptions in order to assess the structural features of such mental representations. This is a key theme for those disciplines which need to turn objects and representations into words and vice versa, such as art or architectural didactics. To this aim, an MIS questionnaire was administered to 262 participants. The questionnaire, originally consisting of a 33-item 5-step Likert scale, was reduced to 28 items covering six areas: (1) Image Formation Speed, (2) Permanence/Stability, (3) Dimensions, (4) Level of Detail/Grain, (5) Distance and (6) Depth of Field or Perspective. Factor analysis confirmed our six-factor hypothesis underlying the 28 items

  15. A new magnetorheological mount featured by changeable damping gaps using a moved-plate valve structure

    International Nuclear Information System (INIS)

    Phu, Do Xuan; Shah, Kruti; Choi, Seung-Bok

    2014-01-01

    In this work, a new type of a magnetorheological (MR) fluid mount is proposed and its performances are experimentally investigated. The design of this MR mount is based on two operating modes of MR fluid: flow mode and shear mode. These modes are applied to the mechanism design consisting of two components: a fixed plate for applying the flow mode, and a moved plate for applying the shear mode of MR fluid motion. These plates belong to the valve-type structure of MR mount. The primary objective using the moved plate is to overcome the block-up phenomenon which frequently occurs in the conventional-type MR mount, in which there is no flow of MR fluid through the damping gap. In this research, a laboratorial fluid (MRF140) is used in the design and optimization of MR mount. This fluid features plate-like particles unlike the sphere particles. The yield stress of the fluid is measured as a function of the magnetic field and the theoretical analysis for the mount design is undertaken using the properties of the MR fluid, followed by design optimization. The objective function is concentrated on maximal damping force of the MR mount subjected to parameter constraints. Based on the results of optimization, the proposed MR mount is manufactured and tested for the performance evaluation. Vibration control capability and block-up phenomenon are investigated and compared between the proposed and conventional MR mounts. (paper)

  16. The Structural Features of Sports and Race Betting Inducements: Issues for Harm Minimisation and Consumer Protection.

    Science.gov (United States)

    Hing, Nerilee; Sproston, Kerry; Brook, Kate; Brading, Richard

    2017-06-01

    Minimal research has been published about inducements for sports and race betting, despite their ready availability and aggressive advertising. This paper aimed to document the range and structural features of these inducements, and analyse their alignment with the harm minimisation and consumer protection goals of responsible gambling. A scan of all inducements offered on the websites of 30 major race and sports betting brands located 223 separate inducements which we categorised into 15 generic types, all offering financial incentives to purchase. These comprised sign-up offers, refer-a-friend offers, happy hours, mobile betting bonuses, multi-bet offers, refund/stake-back offers, matching stakes/deposits, winnings paid for 'close calls', bonus or better odds, bonus or better winnings, competitions, reduced commission, free bets to selected punters, cash rebates and other free bets. All inducements were subject to numerous terms and conditions which were complex, difficult to find, and obscured by legalistic language. Play-through conditions of bonus bets were particularly difficult to interpret and failed basic requirements for informed choice. Website advertisements for inducements were prominently promoted but few contained a responsible gambling message. The results were analysed to generate 12 research propositions considered worthy of empirical research to inform much needed regulatory reform in this area.

  17. Structural features of Fab fragments of rheumatoid factor IgM-RF in solution

    Energy Technology Data Exchange (ETDEWEB)

    Volkov, V. V., E-mail: vvo@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Lapuk, V. A. [Russian Academy of Sciences, Zelinskii Institute of Organic Chemistry (Russian Federation); Shtykova, E. V.; Stepina, N. D.; Dembo, K. A.; Sokolova, A. V.; Amarantov, S. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Timofeev, V. P. [Russian Academy of Sciences, Engelhardt Institute of Molecular Biology (Russian Federation); Ziganshin, R. Kh. [Russian Academy of Sciences, Shemyakin Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation); Varlamova, E. Yu. [Russian Academy of Medical Sciences, Hematology Research Center (Russian Federation)

    2008-05-15

    The structural features of the Fab fragments of monoclonal (Waldenstroem's disease) immunoglobulin M (IgM) and rheumatoid immunoglobulin M (IgM-RF) were studied by a complex of methods, including small-angle X-ray scattering (SAXS), electron spin resonance (ESR), and mass spectrometry (MS). The Fab-RF fragment was demonstrated to be much more flexible in the region of interdomain contacts, the molecular weights and the shapes of the Fab and Fab-RF macromolecules in solution being only slightly different. According to the ESR data, the rotational correlation time for a spin label introduced into the peptide sequence for Fab is twice as large as that for Fab-RF (21{+-}2 and 11{+-}1 ns, respectively), whereas the molecular weights of these fragments differ by only 0.5% (mass-spectrometric data), which correlates with the results of molecular-shape modeling by small-angle X-ray scattering. The conclusion about the higher flexibility of the Fab-RF fragment contributes to an understanding of the specificity of interactions between the rheumatoid factor and the antigens of the own organism.

  18. Features of Bayou Choctaw SPR caverns and internal structure of the salt dome.

    Energy Technology Data Exchange (ETDEWEB)

    Munson, Darrell E.

    2007-07-01

    The intent of this study is to examine the internal structure of the Bayou Choctaw salt dome utilizing the information obtained from graphical representations of sonar survey data of the internal cavern surfaces. Many of the Bayou Choctaw caverns have been abandoned. Some existing caverns were purchased by the Strategic Petroleum Reserve (SPR) program and have rather convoluted histories and complex cavern geometries. In fact, these caverns are typically poorly documented and are not particularly constructive to this study. Only two Bayou Choctaw caverns, 101 and 102, which were constructed using well-controlled solutioning methods, are well documented. One of these was constructed by the SPR for their use while the other was constructed and traded for another existing cavern. Consequently, compared to the SPR caverns of the West Hackberry and Big Hill domes, it is more difficult to obtain a general impression of the stratigraphy of the dome. Indeed, caverns of Bayou Choctaw show features significantly different than those encountered in the other two SPR facilities. In the number of abandoned caverns, and some of those existing caverns purchased by the SPR, extremely irregular solutioning has occurred. The two SPR constructed caverns suggest that some sections of the caverns may have undergone very regular solutioning to form uniform cylindrical shapes. Although it is not usually productive to speculate, some suggestions that point to the behavior of the Bayou Choctaw dome are examined. Also the primary differences in the Bayou Choctaw dome and the other SPR domes are noted.

  19. Structural features of Fab fragments of rheumatoid factor IgM-RF in solution

    International Nuclear Information System (INIS)

    Volkov, V. V.; Lapuk, V. A.; Shtykova, E. V.; Stepina, N. D.; Dembo, K. A.; Sokolova, A. V.; Amarantov, S. V.; Timofeev, V. P.; Ziganshin, R. Kh.; Varlamova, E. Yu.

    2008-01-01

    The structural features of the Fab fragments of monoclonal (Waldenstroem's disease) immunoglobulin M (IgM) and rheumatoid immunoglobulin M (IgM-RF) were studied by a complex of methods, including small-angle X-ray scattering (SAXS), electron spin resonance (ESR), and mass spectrometry (MS). The Fab-RF fragment was demonstrated to be much more flexible in the region of interdomain contacts, the molecular weights and the shapes of the Fab and Fab-RF macromolecules in solution being only slightly different. According to the ESR data, the rotational correlation time for a spin label introduced into the peptide sequence for Fab is twice as large as that for Fab-RF (21±2 and 11±1 ns, respectively), whereas the molecular weights of these fragments differ by only 0.5% (mass-spectrometric data), which correlates with the results of molecular-shape modeling by small-angle X-ray scattering. The conclusion about the higher flexibility of the Fab-RF fragment contributes to an understanding of the specificity of interactions between the rheumatoid factor and the antigens of the own organism.

  20. Features and structure of edition «Atlas of the Ukrainian Insurgent Army»

    Directory of Open Access Journals (Sweden)

    Володимир Грицеляк

    2017-09-01

    Full Text Available The article introduces the edition «Atlas of the Ukrainian Insurgent Army». Actuality for mapmaking of distorted Ukrainian history pages is showed. The approaches to structure of the atlas are noted. The atlas presents the origins of UPA, its armed struggle, territorial divisions, military organization and present-day memory places. The distortion of Ukrainian Insurgent Army’s history is one of the cornerstones of the Russian propaganda machine. Edition of «Atlas of the Ukrainian Insurgent Army» will contribute to the fight of the Ukrainians in the information warfare waged by the Russians for centuries, trying to assimilate the neighboring people and to appropriate its historical achievements. According to the concept, the structure of the atlas should cover a wide range of different aspects of the UPA’s struggle; bases on objective materials and destroy the Soviet myths; it discloses the territorial organization of the struggle; transmits different historical phases of social processes (origins, activity, today’s echo. The Atlas complies with such approaches as complexity and consistency, as well as scientific approach, clarity for consumer, Ukrainian centrism, objectivity. Its structure consists of five chapters: 1 «Origins of UPA», 2 «UPA armed struggle for the restoration of Ukrainian statehood», 3 «UPA territorial divisions», 4 «Characteristics of military organization», 5 «Memorable places of UPA». The introductory article to atlas «OUN and UPA: myths and slanders of the Russian propaganda» is intended to show the main Russian fakes. The first chapter gives the prerequisites for insurgency formation, the second reveals the theme of military confrontation of Ukrainian rebels to all invaders during World War II (German Nazis with Hungarians and Romanians, Polish chauvinists, Russian and Soviet imperialists, the third reveals territorial divisions of the armed struggle, the fourth is without maps, it shows features of

  1. Analysis on anomalous degradation in silicon solar cell designed for space use

    Energy Technology Data Exchange (ETDEWEB)

    Ohshima, Takeshi; Morita, Yousuke; Nashiyama, Isamu [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Kawasaki, Osamu; Hisamatsu, Tadashi; Yamamoto, Yasunari; Matsuda, Sumio; Nakao, Tetsuya; Wakow, Yoshihito

    1997-03-01

    Recently, we have found the anomalous degradation of electrical performance in silicon solar cells irradiated with charged particles in a high-fluence region. This anomalous phenomenon has two typical features, which are sudden-drop-down of electrical performances in a high-fluence region and slight recovery of the short circuit current I{sub SC} just before the sudden-drop-down. These features cannot be understood by a conventional model coming from the decrease of minority-carriers life-time. We introduce this anomalous degradation of the electrical performance in Si solar cells irradiated with electrons or protons. We also report the result of simulation for the fluence dependence of the I{sub SC}, and discuss the mechanism of this anomalous phenomenon. (author)

  2. Anomalous small-angle x-ray scattering of a femtosecond irradiated germano silicate fibre preform.

    Energy Technology Data Exchange (ETDEWEB)

    Hindle, F.; Fertein, E.; Seifert, S.; Przygodski, C.S.; Bocquet, R.; Douay, M.; Bychkov, E.; Experimental Facilities Division (APS); LPCA, CNRS; PhLAM; Univ. des Sciences et Tech. de Lille

    2005-01-01

    RADIATION is shown to induce significant mesoscopic structure. The scattering intensity for irradiated glasses is close to two orders of magnitude greater than that of unexposed material. Anomalous small-angle X-ray scattering (ASAXS) around the germanium K-edge for the silica and germanium doped silica regions of a fiber preform is used to demonstrate that identical structures are induced in both glass materials, with germanium displaying a capacity to isomorphically replace silicon in the case of the germanium doped silica. Analysis of measured scattering indicates that photo-inscribed features are produced at two distinct scales with typical radii of R {approx} 20 Angstroms and R{sub min} {approx} 200 Angstroms.

  3. Crystal structures and inhibitor binding properties of plant class V chitinases: the cycad enzyme exhibits unique structural and functional features.

    Science.gov (United States)

    Umemoto, Naoyuki; Kanda, Yuka; Ohnuma, Takayuki; Osawa, Takuo; Numata, Tomoyuki; Sakuda, Shohei; Taira, Toki; Fukamizo, Tamo

    2015-04-01

    A class V (glycoside hydrolase family 18) chitinase from the cycad Cycas revoluta (CrChiA) is a plant chitinase that has been reported to possess efficient transglycosylation (TG) activity. We solved the crystal structure of CrChiA, and compared it with those of class V chitinases from Nicotiana tabacum (NtChiV) and Arabidopsis thaliana (AtChiC), which do not efficiently catalyze the TG reaction. All three chitinases had a similar (α/β)8 barrel fold with an (α + β) insertion domain. In the acceptor binding site (+1, +2 and +3) of CrChiA, the Trp168 side chain was found to stack face-to-face with the +3 sugar. However, this interaction was not found in the identical regions of NtChiV and AtChiC. In the DxDxE motif, which is essential for catalysis, the carboxyl group of the middle Asp (Asp117) was always oriented toward the catalytic acid Glu119 in CrChiA, whereas the corresponding Asp in NtChiV and AtChiC was oriented toward the first Asp. These structural features of CrChiA appear to be responsible for the efficient TG activity. When binding of the inhibitor allosamidin was evaluated using isothermal titration calorimetry, the changes in binding free energy of the three chitinases were found to be similar to each other, i.e. between -9.5 and -9.8 kcal mol(-1) . However, solvation and conformational entropy changes in CrChiA were markedly different from those in NtChiV and AtChiC, but similar to those of chitinase A from Serratia marcescens (SmChiA), which also exhibits significant TG activity. These results provide insight into the molecular mechanism underlying the TG reaction and the molecular evolution from bacterial chitinases to plant class V chitinases. © 2015 The Authors The Plant Journal © 2015 John Wiley & Sons Ltd.

  4. MR features of the developing perianterior horn structure including subcallosal fasciculus in infants and children

    Energy Technology Data Exchange (ETDEWEB)

    Utsunomiya, Hidetsuna [Fukuoka University School of Medicine, Department of Diagnostic Radiology, Nanakuma, Jonan-ku, Fukuoka (Japan); Nakamura, Yasuhiro [St. Mary' s Hospital, Department of Pathology, Kurume (Japan)

    2007-11-15

    To describe the changes in the magnetic resonance (MR) signal of the perianterior horn structure (PAS) with increasing age, we studied 69 infants and children aged between 3 days and 9.4 years (average: 2.8 years) without any neurological deficits. T1- and T2-weighted images and FLAIR (fluid attenuation inversion recovery) images were obtained in the axial plane. Based on a comparison of the intensity of the PAS with that of the cortex in each sequence (T1-WI/FLAIR/T2-WI), we classified the signal-intensity patterns into four types: I, low/low/high; II, low/high/high; III, iso/high/high; IV, high/low/low. Signal-intensity types I, II, III and IV were seen in 22, 8, 17, and 22 subjects, respectively, with younger subjects showing type I or II intensity patterns and older subjects showing type III or IV. In addition, T1-weighted and FLAIR images of subjects with a type I intensity pattern showed a rim of an isointensity component around the PAS that histologically coincided with migrating glial cells. The low-intensity area on FLAIR and T2-WI images of subjects with a type IV intensity pattern may represent myelinated fibers of the subcallosal fasciculus (ScF). The intensity of the MR signals of the PAS changes with increasing age, and this change may reflect histological features. A better understanding of these characteristics may help us to clarify myelination abnormalities, particularly those related to the ScF in the frontal lobe in infants and children. (orig.)

  5. Structural Features of Sugars That Trigger or Support Conidial Germination in the Filamentous Fungus Aspergillus niger

    Science.gov (United States)

    Hayer, Kimran; Stratford, Malcolm

    2013-01-01

    The asexual spores (conidia) of Aspergillus niger germinate to produce hyphae under appropriate conditions. Germination is initiated by conidial swelling and mobilization of internal carbon and energy stores, followed by polarization and emergence of a hyphal germ tube. The effects of different pyranose sugars, all analogues of d-glucose, on the germination of A. niger conidia were explored, and we define germination as the transition from a dormant conidium into a germling. Within germination, we distinguish two distinct stages, the initial swelling of the conidium and subsequent polarized growth. The stage of conidial swelling requires a germination trigger, which we define as a compound that is sensed by the conidium and which leads to catabolism of d-trehalose and isotropic growth. Sugars that triggered germination and outgrowth included d-glucose, d-mannose, and d-xylose. Sugars that triggered germination but did not support subsequent outgrowth included d-tagatose, d-lyxose, and 2-deoxy-d-glucose. Nontriggering sugars included d-galactose, l-glucose, and d-arabinose. Certain nontriggering sugars, including d-galactose, supported outgrowth if added in the presence of a complementary triggering sugar. This division of functions indicates that sugars are involved in two separate events in germination, triggering and subsequent outgrowth, and the structural features of sugars that support each, both, or none of these events are discussed. We also present data on the uptake of sugars during the germination process and discuss possible mechanisms of triggering in the absence of apparent sugar uptake during the initial swelling of conidia. PMID:23995938

  6. Structural features of sugars that trigger or support conidial germination in the filamentous fungus Aspergillus niger.

    Science.gov (United States)

    Hayer, Kimran; Stratford, Malcolm; Archer, David B

    2013-11-01

    The asexual spores (conidia) of Aspergillus niger germinate to produce hyphae under appropriate conditions. Germination is initiated by conidial swelling and mobilization of internal carbon and energy stores, followed by polarization and emergence of a hyphal germ tube. The effects of different pyranose sugars, all analogues of d-glucose, on the germination of A. niger conidia were explored, and we define germination as the transition from a dormant conidium into a germling. Within germination, we distinguish two distinct stages, the initial swelling of the conidium and subsequent polarized growth. The stage of conidial swelling requires a germination trigger, which we define as a compound that is sensed by the conidium and which leads to catabolism of d-trehalose and isotropic growth. Sugars that triggered germination and outgrowth included d-glucose, d-mannose, and d-xylose. Sugars that triggered germination but did not support subsequent outgrowth included d-tagatose, d-lyxose, and 2-deoxy-d-glucose. Nontriggering sugars included d-galactose, l-glucose, and d-arabinose. Certain nontriggering sugars, including d-galactose, supported outgrowth if added in the presence of a complementary triggering sugar. This division of functions indicates that sugars are involved in two separate events in germination, triggering and subsequent outgrowth, and the structural features of sugars that support each, both, or none of these events are discussed. We also present data on the uptake of sugars during the germination process and discuss possible mechanisms of triggering in the absence of apparent sugar uptake during the initial swelling of conidia.

  7. On the Casimir scaling violation in the cusp anomalous dimension at small angle

    Science.gov (United States)

    Grozin, Andrey; Henn, Johannes; Stahlhofen, Maximilian

    2017-10-01

    We compute the four-loop n f contribution proportional to the quartic Casimir of the QCD cusp anomalous dimension as an expansion for small cusp angle ϕ. This piece is gauge invariant, violates Casimir scaling, and first appears at four loops. It requires the evaluation of genuine non-planar four-loop Feynman integrals. We present results up to O({φ}^4) . One motivation for our calculation is to probe a recent conjecture on the all-order structure of the cusp anomalous dimension. As a byproduct we obtain the four-loop HQET wave function anomalous dimension for this color structure.

  8. A comparison of supervised machine learning algorithms and feature vectors for MS lesion segmentation using multimodal structural MRI.

    Science.gov (United States)

    Sweeney, Elizabeth M; Vogelstein, Joshua T; Cuzzocreo, Jennifer L; Calabresi, Peter A; Reich, Daniel S; Crainiceanu, Ciprian M; Shinohara, Russell T

    2014-01-01

    Machine learning is a popular method for mining and analyzing large collections of medical data. We focus on a particular problem from medical research, supervised multiple sclerosis (MS) lesion segmentation in structural magnetic resonance imaging (MRI). We examine the extent to which the choice of machine learning or classification algorithm and feature extraction function impacts the performance of lesion segmentation methods. As quantitative measures derived from structural MRI are important clinical tools for research into the pathophysiology and natural history of MS, the development of automated lesion segmentation methods is an active research field. Yet, little is known about what drives performance of these methods. We evaluate the performance of automated MS lesion segmentation methods, which consist of a supervised classification algorithm composed with a feature extraction function. These feature extraction functions act on the observed T1-weighted (T1-w), T2-weighted (T2-w) and fluid-attenuated inversion recovery (FLAIR) MRI voxel intensities. Each MRI study has a manual lesion segmentation that we use to train and validate the supervised classification algorithms. Our main finding is that the differences in predictive performance are due more to differences in the feature vectors, rather than the machine learning or classification algorithms. Features that incorporate information from neighboring voxels in the brain were found to increase performance substantially. For lesion segmentation, we conclude that it is better to use simple, interpretable, and fast algorithms, such as logistic regression, linear discriminant analysis, and quadratic discriminant analysis, and to develop the features to improve performance.

  9. Effect of anomalous drift during ion implantation

    International Nuclear Information System (INIS)

    Aleksandrov, P.A.; Baranova, E.K.; Beloshitskii, V.V.; Demakov, K.D.; Starostin, V.A.

    1986-01-01

    Experimental and theoretical results are presented on Tl-ion implantation into hot silicon substrates (approx. 1200 0 C). a An anomalously large (by more than an order of magnitude) displacement of the peak position of the implanted impurity distribution into the bulk of the substrate is found. b) The conclusion is drawn that the basic process responsible for this displacement of the peak is radiation-enhanced diffusion (RED) due to nonequilibrium concentration of point defects produced in the heated target directly under implantation. c) The crystalline structure of the resulting ion-implanted layer indicates that in-situ annealing of the exposed layer occurs during high-temperature implantation. d) Experimental impurity distributions confirm the possibility of producing an implanted-impurity 'buried layer' below the layer of a single crystal silicon, the 'buried layer' depth depending on the implantation regime. (author)

  10. Anomalous Hall effect in polycrystalline Ni films

    KAUST Repository

    Guo, Zaibing

    2012-02-01

    We systematically studied the anomalous Hall effect in a series of polycrystalline Ni films with thickness ranging from 4 to 200 nm. It is found that both the longitudinal and anomalous Hall resistivity increased greatly as film thickness decreased. This enhancement should be related to the surface scattering. In the ultrathin films (46 nm thick), weak localization corrections to anomalous Hall conductivity were studied. The granular model, taking into account the dominated intergranular tunneling, has been employed to explain this phenomenon, which can explain the weak dependence of anomalous Hall resistivity on longitudinal resistivity as well. © 2011 Elsevier Ltd. All rights reserved.

  11. Linguistic Features and Schematic Textual Structure in Look-Good Advertisements in the Indian Print Media in English

    Science.gov (United States)

    Singh, Sukhdev; Bedi, Navkiran Kaur

    2013-01-01

    Every text has a communicative purpose that it performs by dividing itself into generic stages. These stages are assigned specific goals and have differing linguistic structures. This paper makes an attempt to investigate whether there is a definable co-relation between linguistic features and stages in the genre of look-good advertisements. It…

  12. Expanding spectrum of human RYR2-related disease: new electrocardiographic, structural, and genetic features

    NARCIS (Netherlands)

    Bhuiyan, Zahurul A.; van den Berg, Maarten P.; van Tintelen, J. Peter; Bink-Boelkens, Margreet T. E.; Wiesfeld, Ans C. P.; Alders, Marielle; Postma, Alex V.; van Langen, Irene; Mannens, Marcel M. A. M.; Wilde, Arthur A. M.

    2007-01-01

    BACKGROUND: Catecholaminergic polymorphic ventricular tachycardia is a disease characterized by ventricular arrhythmias elicited exclusively under adrenergic stress. Additional features include baseline bradycardia and, in some patients, right ventricular fatty displacement. The clinical spectrum is

  13. Expanding spectrum of human RYR2-related disease - New electrocardiographic, structural, and genetic features

    NARCIS (Netherlands)

    Bhuiyan, Zahurul A.; van den Berg, Maarten P.; van Tintelen, J. Peter; Bink-Boelkens, Margreet T. E.; Wiesfeld, Ans C. P.; Alders, Marielle; Postma, Alex V.; van Langen, Irene; Mannens, Marcel M. A. M.; Wilde, Arthur A. M.

    2007-01-01

    Background - Catecholaminergic polymorphic ventricular tachycardia is a disease characterized by ventricular arrhythmias elicited exclusively under adrenergic stress. Additional features include baseline bradycardia and, in some patients, right ventricular fatty displacement. The clinical spectrum

  14. Stable feature selection for clinical prediction: exploiting ICD tree structure using Tree-Lasso.

    Science.gov (United States)

    Kamkar, Iman; Gupta, Sunil Kumar; Phung, Dinh; Venkatesh, Svetha

    2015-02-01

    Modern healthcare is getting reshaped by growing Electronic Medical Records (EMR). Recently, these records have been shown of great value towards building clinical prediction models. In EMR data, patients' diseases and hospital interventions are captured through a set of diagnoses and procedures codes. These codes are usually represented in a tree form (e.g. ICD-10 tree) and the codes within a tree branch may be highly correlated. These codes can be used as features to build a prediction model and an appropriate feature selection can inform a clinician about important risk factors for a disease. Traditional feature selection methods (e.g. Information Gain, T-test, etc.) consider each variable independently and usually end up having a long feature list. Recently, Lasso and related l1-penalty based feature selection methods have become popular due to their joint feature selection property. However, Lasso is known to have problems of selecting one feature of many correlated features randomly. This hinders the clinicians to arrive at a stable feature set, which is crucial for clinical decision making process. In this paper, we solve this problem by using a recently proposed Tree-Lasso model. Since, the stability behavior of Tree-Lasso is not well understood, we study the stability behavior of Tree-Lasso and compare it with other feature selection methods. Using a synthetic and two real-world datasets (Cancer and Acute Myocardial Infarction), we show that Tree-Lasso based feature selection is significantly more stable than Lasso and comparable to other methods e.g. Information Gain, ReliefF and T-test. We further show that, using different types of classifiers such as logistic regression, naive Bayes, support vector machines, decision trees and Random Forest, the classification performance of Tree-Lasso is comparable to Lasso and better than other methods. Our result has implications in identifying stable risk factors for many healthcare problems and therefore can

  15. Anomalous transport in toroidal plasmas

    International Nuclear Information System (INIS)

    Punjabi, A.

    1989-12-01

    When the magnetic moment of particle is conserved, there are three mechanisms which cause anomalous transport. These are: variation of magnetic field strength in flux surface, variation of electrostatic potential in flux surface, and destruction of flux surface. The anomalous transport of different groups of particles resulting from each of these mechanisms is different. This fact can be exploited to determine the cause of transport operative in an experimental situation. This approach can give far more information on the transport than the standard confinement time measurements. To implement this approach, we have developed Monte Carlo codes for toroidal geometries. The equations of motion are developed in a set of non-canonical, practical Boozer co-ordinates by means of Jacobian transformations of the particle drift Hamiltonian equations of motion. Effects of collisions are included by appropriate stochastic changes in the constants of motion. Effects of the loop voltage on particle motions are also included. We plan to apply our method to study two problems: the problem of the hot electron tail observed in edge region of ZT-40, and the energy confinement time in TOKAPOLE II. For the ZT-40 problem three situations will be considered: a single mode in the core, a stochastic region that covers half the minor radius, a stochastic region that covers the entire plasma. A turbulent spectrum of perturbations based on the experimental data of TOKAPOLE II will be developed. This will be used to simulate electron transport resulting from ideal instabilities and resistive instabilities in TOKAPOLE II

  16. A spectral-structural bag-of-features scene classifier for very high spatial resolution remote sensing imagery

    Science.gov (United States)

    Zhao, Bei; Zhong, Yanfei; Zhang, Liangpei

    2016-06-01

    Land-use classification of very high spatial resolution remote sensing (VHSR) imagery is one of the most challenging tasks in the field of remote sensing image processing. However, the land-use classification is hard to be addressed by the land-cover classification techniques, due to the complexity of the land-use scenes. Scene classification is considered to be one of the expected ways to address the land-use classification issue. The commonly used scene classification methods of VHSR imagery are all derived from the computer vision community that mainly deal with terrestrial image recognition. Differing from terrestrial images, VHSR images are taken by looking down with airborne and spaceborne sensors, which leads to the distinct light conditions and spatial configuration of land cover in VHSR imagery. Considering the distinct characteristics, two questions should be answered: (1) Which type or combination of information is suitable for the VHSR imagery scene classification? (2) Which scene classification algorithm is best for VHSR imagery? In this paper, an efficient spectral-structural bag-of-features scene classifier (SSBFC) is proposed to combine the spectral and structural information of VHSR imagery. SSBFC utilizes the first- and second-order statistics (the mean and standard deviation values, MeanStd) as the statistical spectral descriptor for the spectral information of the VHSR imagery, and uses dense scale-invariant feature transform (SIFT) as the structural feature descriptor. From the experimental results, the spectral information works better than the structural information, while the combination of the spectral and structural information is better than any single type of information. Taking the characteristic of the spatial configuration into consideration, SSBFC uses the whole image scene as the scope of the pooling operator, instead of the scope generated by a spatial pyramid (SP) commonly used in terrestrial image classification. The experimental

  17. Revisiting the Anomalous rf Field Penetration into a Warm Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Igor D. Kaganovich; Oleg V. Polomarov; Constantine E. Theodosiou

    2005-06-24

    Radio-frequency [rf] waves do not penetrate into a plasma and are damped within it. The electric field of the wave and plasma current are concentrated near the plasma boundary in a skin layer. Electrons can transport the plasma current away from the skin layer due to their thermal motion. As a result, the width of the skin layer increases when electron temperature effects are taken into account. This phenomenon is called anomalous skin effect. The anomalous penetration of the rf electric field occurs not only for transversely propagating to the plasma boundary wave (inductively coupled plasmas) but also for the wave propagating along the plasma boundary (capacitively coupled plasmas). Such anomalous penetration of the rf field modifies the structure of the capacitive sheath. Recent advances in the nonlinear, non-local theory of the capacitive sheath are reported. It is shown that separating the electric field profile into exponential and non-exponential parts yields an efficient qualitative and quantitative description of the anomalous skin effect in both inductively and capacitively coupled plasma.

  18. Navigation by anomalous random walks on complex networks.

    Science.gov (United States)

    Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

    2016-11-23

    Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

  19. Navigation by anomalous random walks on complex networks

    Science.gov (United States)

    Weng, Tongfeng; Zhang, Jie; Khajehnejad, Moein; Small, Michael; Zheng, Rui; Hui, Pan

    2016-11-01

    Anomalous random walks having long-range jumps are a critical branch of dynamical processes on networks, which can model a number of search and transport processes. However, traditional measurements based on mean first passage time are not useful as they fail to characterize the cost associated with each jump. Here we introduce a new concept of mean first traverse distance (MFTD) to characterize anomalous random walks that represents the expected traverse distance taken by walkers searching from source node to target node, and we provide a procedure for calculating the MFTD between two nodes. We use Lévy walks on networks as an example, and demonstrate that the proposed approach can unravel the interplay between diffusion dynamics of Lévy walks and the underlying network structure. Moreover, applying our framework to the famous PageRank search, we show how to inform the optimality of the PageRank search. The framework for analyzing anomalous random walks on complex networks offers a useful new paradigm to understand the dynamics of anomalous diffusion processes, and provides a unified scheme to characterize search and transport processes on networks.

  20. Structural and Phylogenetic Analysis of Rhodobacter capsulatus NifF: Uncovering General Features of Nitrogen-fixation (nif-Flavodoxins

    Directory of Open Access Journals (Sweden)

    Inmaculada Pérez-Dorado

    2013-01-01

    Full Text Available Analysis of the crystal structure of NifF from Rhodobacter capsulatus and its homologues reported so far reflects the existence of unique structural features in nif flavodoxins: a leucine at the re face of the isoalloxazine, an eight-residue insertion at the C-terminus of the 50’s loop and a remarkable difference in the electrostatic potential surface with respect to non-nif flavodoxins. A phylogenetic study on 64 sequences from 52 bacterial species revealed four clusters, including different functional prototypes, correlating the previously defined as “short-chain” with the firmicutes flavodoxins and the “long-chain” with gram-negative species. The comparison of Rhodobacter NifF structure with other bacterial flavodoxin prototypes discloses the concurrence of specific features of these functional electron donors to nitrogenase.

  1. Structural and phylogenetic analysis of Rhodobacter capsulatus NifF: uncovering general features of nitrogen-fixation (nif)-flavodoxins.

    Science.gov (United States)

    Pérez-Dorado, Inmaculada; Bortolotti, Ana; Cortez, Néstor; Hermoso, Juan A

    2013-01-09

    Analysis of the crystal structure of NifF from Rhodobacter capsulatus and its homologues reported so far reflects the existence of unique structural features in nif flavodoxins: a leucine at the re face of the isoalloxazine, an eight-residue insertion at the C-terminus of the 50's loop and a remarkable difference in the electrostatic potential surface with respect to non-nif flavodoxins. A phylogenetic study on 64 sequences from 52 bacterial species revealed four clusters, including different functional prototypes, correlating the previously defined as "short-chain" with the firmicutes flavodoxins and the "long-chain" with gram-negative species. The comparison of Rhodobacter NifF structure with other bacterial flavodoxin prototypes discloses the concurrence of specific features of these functional electron donors to nitrogenase.

  2. Structural and sequence variants in patients with Silver-Russell syndrome or similar features-Curation of a disease database

    DEFF Research Database (Denmark)

    Tümer, Zeynep; López-Hernández, Julia Angélica; Netchine, Irène

    2018-01-01

    Silver-Russell syndrome (SRS) is a clinically and molecularly heterogeneous disorder involving prenatal and postnatal growth retardation, and the term SRS-like is broadly used to describe individuals with clinical features resembling SRS. The main molecular subgroups are loss of methylation...... data of these patients. The clinical features are scored according to the Netchine-Harbison clinical scoring system (NH-CSS), which has recently been accepted as standard by consensus. The structural and sequence variations are reviewed and where necessary redescribed according to recent...

  3. Mammographic density and structural features can individually and jointly contribute to breast cancer risk assessment in mammography screening

    DEFF Research Database (Denmark)

    Winkel, Rikke Rass; von Euler-Chelpin, My Catarina; Nielsen, Mads

    2016-01-01

    BACKGROUND: Mammographic density is a well-established risk factor for breast cancer. We investigated the association between three different methods of measuring density or parenchymal pattern/texture on digitized film-based mammograms, and examined to what extent textural features independently......-RADS alone). CONCLUSION: Our findings suggest that the (relative) amount of fibroglandular tissue (density) and mammographic structural features (texture/parenchymal pattern) jointly can improve risk segregation of screening women, using information already available from normal screening routine, in respect...

  4. Anomalous osmosis resulting from preferential absorption

    NARCIS (Netherlands)

    Staverman, A.J.; Kruissink, C.A.; Pals, D.T.F.

    1965-01-01

    An explanation of the anomalous osmosis described in the preceding paper is given in terms of friction coefficients in the glass membrane. It is shown that anomalous osmosis may be expected when the friction coefficients are constant and positive provided that the membrane absorbs solute strongly

  5. Features of Household Lexics, Their Characteristics and Structural Analysis in the Modern English Language

    Science.gov (United States)

    Yusifova, Aygun

    2014-01-01

    The present paper aims to analyze the most inherent features and characteristics of household lexis in English. Special emphasis has been placed on their names of the objects used in everyday life, kitchen utensils, animal and birds. Lexical units concerning ceremonies, habits and traditions are also among the scope of the paper. Moreover, the…

  6. Soft theorems from anomalous symmetries

    Science.gov (United States)

    Huang, Yu-tin; Wen, Congkao

    2015-12-01

    We discuss constraints imposed by soft limits for effective field theories arising from symmetry breaking. In particular, we consider those associated with anomalous conformal symmetry as well as duality symmetries in supergravity. We verify these soft theorems for the dilaton effective action relevant for the a-theorem, as well as the one-loop effective action for N=4 supergravity. Using the universality of leading transcendental coefficients in the α' expansion of string theory amplitudes, we study the matrix elements of operator R 4 with half maximal supersymmetry. We construct the non-linear completion of R 4 that satisfies both single and double soft theorems up to seven points. This supports the existence of duality invariant completion of R 4.

  7. Soft theorems from anomalous symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yu-tin [Department of Physics and Astronomy, National Taiwan University,Taipei 10617, Taiwan, ROC (China); Wen, Congkao [I.N.F.N. Sezione di Roma “Tor Vergata”,Via della Ricerca Scientifica, 00133 Roma (Italy)

    2015-12-22

    We discuss constraints imposed by soft limits for effective field theories arising from symmetry breaking. In particular, we consider those associated with anomalous conformal symmetry as well as duality symmetries in supergravity. We verify these soft theorems for the dilaton effective action relevant for the a-theorem, as well as the one-loop effective action for N=4 supergravity. Using the universality of leading transcendental coefficients in the α{sup ′} expansion of string theory amplitudes, we study the matrix elements of operator R{sup 4} with half maximal supersymmetry. We construct the non-linear completion of R{sup 4} that satisfies both single and double soft theorems up to seven points. This supports the existence of duality invariant completion of R{sup 4}.

  8. Dinotor model for anomalous nuclei

    International Nuclear Information System (INIS)

    Castillejo, L.; Goldhaber, A.S.; Jackson, A.D.; Johnson, M.B.

    1986-01-01

    The simplest version of the MIT bag model implies the existence of metastable toroidal bags, with large radius proportional to the enclosed baryon number, and small radius comparable to that of an ordinary nucleon (we refer to those toroidal bags as dinotors). Considerations of various possible instabilities, and of the effects of quark interactions through intermediate gluons, suggest that the metastability is still valid when the model is treated more realistically. These results might provide an explanation for reports of anomalously large interaction cross sections of secondary fragments (''anomalons'') observed in visual track detectors. However, it appears that the most likely characteristics of toroidal bags would not be compatible with those of anomalons, and would not be as easy to detect in emulsions. copyright 1986 Academic Press, Inc

  9. Anomalous transport in mirror systems

    International Nuclear Information System (INIS)

    Post, R.F.

    1979-01-01

    As now being explored for fusion applications confinement systems based on the mirror principle embody two kinds of plasma regimes. These two regimes are: (a) high-beta plasmas, stabilized against MHD and other low frequency plasma instabilities by magnetic-well fields, but characterized by non-Maxwellian ion distributions; (b) near-Maxwellian plasmas, confined electrostatically (as in the tandem mirror) or in a field-reversed region within the mirror cell. Common to both situations are the questions of anomalous transport owing to high frequency instabilities in the non-maxwellian portions of the plasmas. This report will summarize the status of theory and of experimental data bearing on these questions, with particular reference to the high temperature regimes of interest for fusion power

  10. Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustrate the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.

  11. Correlations in Scattered X-Ray Laser Pulses Reveal Nanoscale Structural Features of Viruses

    Science.gov (United States)

    Kurta, Ruslan P.; Donatelli, Jeffrey J.; Yoon, Chun Hong; Berntsen, Peter; Bielecki, Johan; Daurer, Benedikt J.; DeMirci, Hasan; Fromme, Petra; Hantke, Max Felix; Maia, Filipe R. N. C.; Munke, Anna; Nettelblad, Carl; Pande, Kanupriya; Reddy, Hemanth K. N.; Sellberg, Jonas A.; Sierra, Raymond G.; Svenda, Martin; van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu; Aquila, Andrew; Zwart, Peter H.; Mancuso, Adrian P.

    2017-10-01

    We use extremely bright and ultrashort pulses from an x-ray free-electron laser (XFEL) to measure correlations in x rays scattered from individual bioparticles. This allows us to go beyond the traditional crystallography and single-particle imaging approaches for structure investigations. We employ angular correlations to recover the three-dimensional (3D) structure of nanoscale viruses from x-ray diffraction data measured at the Linac Coherent Light Source. Correlations provide us with a comprehensive structural fingerprint of a 3D virus, which we use both for model-based and ab initio structure recovery. The analyses reveal a clear indication that the structure of the viruses deviates from the expected perfect icosahedral symmetry. Our results anticipate exciting opportunities for XFEL studies of the structure and dynamics of nanoscale objects by means of angular correlations.

  12. Structural features of various kinds of carbon fibers as determined by small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Li, Denghua; Du, Sujun [Shanxi Transportation Research Institute, National and Local Joint Engineering Laboratory of Advanced Road Materials, Taiyuan (China); Lu, Chunxiang; Wu, Gangping; Yang, Yu; Wang, Lina [Chinese Academy of Sciences, National Engineering Laboratory for Carbon Fiber Technology, Institute of Coal Chemistry, Taiyuan (China)

    2016-11-15

    The structural features of polyacrylonitrile and pitch-based carbon fibers were analyzed from a comprehensive point of view by X-ray measurements and related techniques. The results indicated that the undulating graphite ribbon with embedded microvoid was the main structural unit for graphitic fibers. The void's parameters for these fibers could be obtained directly by small-angle X-ray scattering following the classic method deduced based on the typical two-phase system (i.e., Porod's law, Guinier's law and Debye's law). The non-graphitic fibers, however, were composed of two-dimensional turbostratic crystallites in the aggregation of microfibril and thus had a quasi two-phase structure (microfibril, interfibrillar amorphous structure and microvoid embedded within the microfibril). The extended Debye or Beaucage model in this case should be applied in order to obtain the structural parameters. It also revealed that the quasi two-phase system would complete its transformation to two-phase system during high-temperature graphitization. Therefore, the degree of graphitization was speculated to be the essential indicator distinguishing graphitic fibers from non-graphitic ones and would be helpful in understanding the transformation of structural features during the graphitization of carbon fibers. (orig.)

  13. Structural features of various kinds of carbon fibers as determined by small-angle X-ray scattering

    International Nuclear Information System (INIS)

    Li, Denghua; Du, Sujun; Lu, Chunxiang; Wu, Gangping; Yang, Yu; Wang, Lina

    2016-01-01

    The structural features of polyacrylonitrile and pitch-based carbon fibers were analyzed from a comprehensive point of view by X-ray measurements and related techniques. The results indicated that the undulating graphite ribbon with embedded microvoid was the main structural unit for graphitic fibers. The void's parameters for these fibers could be obtained directly by small-angle X-ray scattering following the classic method deduced based on the typical two-phase system (i.e., Porod's law, Guinier's law and Debye's law). The non-graphitic fibers, however, were composed of two-dimensional turbostratic crystallites in the aggregation of microfibril and thus had a quasi two-phase structure (microfibril, interfibrillar amorphous structure and microvoid embedded within the microfibril). The extended Debye or Beaucage model in this case should be applied in order to obtain the structural parameters. It also revealed that the quasi two-phase system would complete its transformation to two-phase system during high-temperature graphitization. Therefore, the degree of graphitization was speculated to be the essential indicator distinguishing graphitic fibers from non-graphitic ones and would be helpful in understanding the transformation of structural features during the graphitization of carbon fibers. (orig.)

  14. Emergence of Anomalous Transport in Stressed Rough Fractures

    Science.gov (United States)

    Kang, P. K.; Brown, S.; Alves da Silva, J.; Juanes, R.

    2015-12-01

    Fluid flow and tracer transport in fractured rock controls many natural and engineered processes in the geosciences, and therefore has been extensively studied. Geologic fractures, however, are always under significant overburden stress. While confining stress has been shown to impact fluid flow through rough-walled fractures in a fundamental way, studies of anomalous tracer transport at the scale of individual fractures have so far ignored the potential role of confining stress.Here, we report the emergence of anomalous (non-Fickian) transport through a rough-walled fracture as a result of increasing the normal stress on the fracture. We generate fracture surfaces with fractal roughness, and solve the elastic contact problem between the two surfaces to obtain the 3D fracture geometry for increasing levels of normal stress. We then simulate fluid flow and particle transport through the stressed rough fracture. We observe a transition from Fickian to anomalous transport as the normal stress on the fracture increases.We show that the origin of this anomalous transport behavior can be traced to the self-organization of the flow field into a heterogeneous structure dominated by preferential channels and stagnation zones, as a result of the larger number of contacts in a highly stressed fracture. We also propose a spatial Markov model that reproduces the transport behavior at the scale of the entire fracture with only three physical parameters. Our results point to a heretofore unrecognized link between geomechanics and anomalous particle transport in fractured media. Finally, we show preliminary laboratory experiment results that confirm our findings. (a) Magnitude of the volumetric flux at each discretization grid block at low stress. (b) Magnitude of the volumetric flux for a highly stressed fracture. Values are normalized with the mean volumetric flux.

  15. A comparison of supervised machine learning algorithms and feature vectors for MS lesion segmentation using multimodal structural MRI.

    Directory of Open Access Journals (Sweden)

    Elizabeth M Sweeney

    Full Text Available Machine learning is a popular method for mining and analyzing large collections of medical data. We focus on a particular problem from medical research, supervised multiple sclerosis (MS lesion segmentation in structural magnetic resonance imaging (MRI. We examine the extent to which the choice of machine learning or classification algorithm and feature extraction function impacts the performance of lesion segmentation methods. As quantitative measures derived from structural MRI are important clinical tools for research into the pathophysiology and natural history of MS, the development of automated lesion segmentation methods is an active research field. Yet, little is known about what drives performance of these methods. We evaluate the performance of automated MS lesion segmentation methods, which consist of a supervised classification algorithm composed with a feature extraction function. These feature extraction functions act on the observed T1-weighted (T1-w, T2-weighted (T2-w and fluid-attenuated inversion recovery (FLAIR MRI voxel intensities. Each MRI study has a manual lesion segmentation that we use to train and validate the supervised classification algorithms. Our main finding is that the differences in predictive performance are due more to differences in the feature vectors, rather than the machine learning or classification algorithms. Features that incorporate information from neighboring voxels in the brain were found to increase performance substantially. For lesion segmentation, we conclude that it is better to use simple, interpretable, and fast algorithms, such as logistic regression, linear discriminant analysis, and quadratic discriminant analysis, and to develop the features to improve performance.

  16. A Comparison of Supervised Machine Learning Algorithms and Feature Vectors for MS Lesion Segmentation Using Multimodal Structural MRI

    Science.gov (United States)

    Sweeney, Elizabeth M.; Vogelstein, Joshua T.; Cuzzocreo, Jennifer L.; Calabresi, Peter A.; Reich, Daniel S.; Crainiceanu, Ciprian M.; Shinohara, Russell T.

    2014-01-01

    Machine learning is a popular method for mining and analyzing large collections of medical data. We focus on a particular problem from medical research, supervised multiple sclerosis (MS) lesion segmentation in structural magnetic resonance imaging (MRI). We examine the extent to which the choice of machine learning or classification algorithm and feature extraction function impacts the performance of lesion segmentation methods. As quantitative measures derived from structural MRI are important clinical tools for research into the pathophysiology and natural history of MS, the development of automated lesion segmentation methods is an active research field. Yet, little is known about what drives performance of these methods. We evaluate the performance of automated MS lesion segmentation methods, which consist of a supervised classification algorithm composed with a feature extraction function. These feature extraction functions act on the observed T1-weighted (T1-w), T2-weighted (T2-w) and fluid-attenuated inversion recovery (FLAIR) MRI voxel intensities. Each MRI study has a manual lesion segmentation that we use to train and validate the supervised classification algorithms. Our main finding is that the differences in predictive performance are due more to differences in the feature vectors, rather than the machine learning or classification algorithms. Features that incorporate information from neighboring voxels in the brain were found to increase performance substantially. For lesion segmentation, we conclude that it is better to use simple, interpretable, and fast algorithms, such as logistic regression, linear discriminant analysis, and quadratic discriminant analysis, and to develop the features to improve performance. PMID:24781953

  17. Understanding Legacy Features with Featureous

    DEFF Research Database (Denmark)

    Olszak, Andrzej; Jørgensen, Bo Nørregaard

    2011-01-01

    Feature-centric comprehension of source code is essential during software evolution. However, such comprehension is oftentimes difficult to achieve due the discrepancies between structural and functional units of object-oriented programs. We present a tool for feature-centric analysis of legacy...

  18. [Structure-activity features of serum albumin in athletes under physical load].

    Science.gov (United States)

    Konoshenko, S V; Zhurba, V A; Popichev, M I

    2000-01-01

    By circular dichroism the secondary structure of serum albumin has been studied in organism of high-qualified volleyball-sportsmen. It has been determined that changes in percentage correlation of alpha- and beta-structures of sportsmen serum albumin were combined with decrease of protein reserve functional activity and with its intensified liganding by substance of lipid and carbohydrate nature.

  19. Ellipsis as a Diagnostic Tool of Feature Strength and the Syntactic Structure of Ilocano

    Science.gov (United States)

    Anderson, Michael Don

    2009-01-01

    This dissertation examines Ilocano, an Austronesian Filipino language, within the Minimalist Framework, in an effort to tease apart the general syntactic properties of the language. I show that Ilocano underlying structure can easily be captured within the standard syntactic structures proposed for languages generally (Universal Grammar). In my…

  20. Investigation of structural features of aqueous salt solutions by means of electronic spectroscopy

    International Nuclear Information System (INIS)

    Lyashchenko, A.K.; Borina, A.F.

    1985-01-01

    Electronic spectroscopy and structural-geometric analysis have been used in studying ionic interactions in aqueous solutions of Co(NO 3 ) 2 , CoSO 4 , CoCl 2 , and NiSO 4 . The processes influencing the structural environment of the cations in solution and the character of the electronic spectra of Co(II) and Ni(II) have been distinguished: replacement of ligands in the first coordination sphere of the transition-metal ion, change in mobility of the particles in the medium, and change in the structural matrix on the solution upon going from one concentration region to another. A small change in the structure of bulk water in the solutions of these salts has been demonstrated. For Co(NO 3 ) 2 solutions, the limit of existence of a water-like structure of the solution has been defined

  1. Quasi-one-dimensional quantum anomalous Hall systems as new platforms for scalable topological quantum computation

    Science.gov (United States)

    Chen, Chui-Zhen; Xie, Ying-Ming; Liu, Jie; Lee, Patrick A.; Law, K. T.

    2018-03-01

    Quantum anomalous Hall insulator/superconductor heterostructures emerged as a competitive platform to realize topological superconductors with chiral Majorana edge states as shown in recent experiments [He et al. Science 357, 294 (2017), 10.1126/science.aag2792]. However, chiral Majorana modes, being extended, cannot be used for topological quantum computation. In this work, we show that quasi-one-dimensional quantum anomalous Hall structures exhibit a large topological regime (much larger than the two-dimensional case) which supports localized Majorana zero energy modes. The non-Abelian properties of a cross-shaped quantum anomalous Hall junction is shown explicitly by time-dependent calculations. We believe that the proposed quasi-one-dimensional quantum anomalous Hall structures can be easily fabricated for scalable topological quantum computation.

  2. SAD phasing with in-house cu Ka radiation using barium as anomalous scatterer.

    Science.gov (United States)

    Dhanasekaran, V; Velmurugan, D

    2011-12-01

    Phasing of lysozyme crystals using co-crystallized barium ions was performed using single-wavelength anomalous diffraction (SAD) method using Cu Ka radiation with in-house source of data collection. As the ion binding sites vary with respect to the pH of the buffer during crystallization, the highly isomorphic forms of lysozyme crystals grown at acidic and alkaline pH were used for the study. Intrinsic sulphur anomalous signal was also utilized with anomalous signal from lower occupancy ions for phasing. The study showed that to solve the structure by SAD technique, 2.8-fold data redundancy was sufficient when barium was used as an anomalous marker in the in-house copper X-ray radiation source for data collection. Therefore, co-crystallization of proteins with barium containing salt can be a powerful tool for structure determination using lab source.

  3. Features of the Calculation Deployment Large Transformable Structures of Different Configurations

    Directory of Open Access Journals (Sweden)

    V. N. Zimin

    2014-01-01

    Full Text Available Despite the significant progress achieved in the design of space transformable structures to ensure a smooth and reliable deployment remains an important task. This type of construction can consist of dozens, hundreds or even thousands of interconnected elements. Deployment transformable space structures in orbit to test their performance in orbital conditions are associated with high material costs. Full deploy: experimental development process transformable structures involve a number of fundamental difficulties: It is impossible to eliminate the influence of gravity and resistance forces conditions. Thus, to calculate deploy of large transformable structures of various configurations is an important stage of their creation. Simulation provides an opportunity to analyze various schemes of deploy, to reveal their advantages and possible disadvantages. For numerical analysis of deploy of such structures is necessary to use modern software modeling of the dynamics of multi-component of mechanical systems such as EULER and Adams. Simulation of deployment space transformable structures was performed taking as example folding flat antenna contours diameter of 5 m and 20 m, foldable spatial calibration reflector diameter of 3 m, deployable antenna reflector truss-type aperture 3×6 m.The results of the calculations represent following characteristics: the time of adoption of the working position structures; form intermediate positions structures during deployment; dependence of opening angles and angular velocities of the design links on the time. The parameters of these calculations can be used as input in the development of structural elements providing deployment. They can also be used to prepare stands for experimental testing of disclosure designs in ground conditions. It should be noted that the theoretical models are the only way to analyze the deployment of such structures for possible emergency situations.

  4. Effect of certain structural features of coal on Its tendency towards reduction

    Energy Technology Data Exchange (ETDEWEB)

    Grigor' yeva, Ye. A.; Bakirova, Ye.V.; Dzhalyabova, L.V.; Larina, N.K.; Lesnikova, Ye.B.; Zharova, M.N.,

    1981-01-01

    A study is made of the effect of easily destroyed ether groupings and organic-mineral bonds in coal structure on the tendency towards reduction with the help of hydrolytic destruction of coals and subsequent selective reduction by sodium borohydride.

  5. Layout Optimization of Structures with Finite-size Features using Multiresolution Analysis

    DEFF Research Database (Denmark)

    Chellappa, S.; Diaz, A. R.; Bendsøe, Martin P.

    2004-01-01

    A scheme for layout optimization in structures with multiple finite-sized heterogeneities is presented. Multiresolution analysis is used to compute reduced operators (stiffness matrices) representing the elastic behavior of material distributions with heterogeneities of sizes that are comparable...

  6. Probing features in the primordial perturbation spectrum with large-scale structure data

    Science.gov (United States)

    L'Huillier, Benjamin; Shafieloo, Arman; Hazra, Dhiraj Kumar; Smoot, George F.; Starobinsky, Alexei A.

    2018-03-01

    The form of the primordial power spectrum (PPS) of cosmological scalar (matter density) perturbations is not yet constrained satisfactorily in spite of the tremendous amount of information from the Cosmic Microwave Background (CMB) data. While a smooth power-law-like form of the PPS is consistent with the CMB data, some PPS with small non-smooth features at large scales can also fit the CMB temperature and polarization data with similar statistical evidence. Future CMB surveys cannot help distinguish all such models due to the cosmic variance at large angular scales. In this paper, we study how well we can differentiate between such featured forms of the PPS not otherwise distinguishable using CMB data. We ran 15 N-body DESI-like simulations of these models to explore this approach. Showing that statistics such as the halo mass function and the two-point correlation function are not able to distinguish these models in a DESI-like survey, we advocate to avoid reducing the dimensionality of the problem by demonstrating that the use of a simple three-dimensional count-in-cell density field can be much more effective for the purpose of model distinction.

  7. Structural features of indium antimonide quantum dots on the indium arsenide substrate

    Directory of Open Access Journals (Sweden)

    Liliya A. Sokura

    2015-06-01

    Full Text Available The properties of InSb/InAs quantum dots (QDs have been investigated by transmission electron microscopy (TEM. Specific features of diffraction contrast were discovered in plan-view TEM images of big (9–10 nm in height and 38–50 nm in diameter InSb QDs. To understand the origin of such distortions, a model of an InSb QD on InAs substrate containing a partial Frank dislocation (FD was developed and used for calculations of the displacement field and the subsequent diffraction image simulation of an InSb QD for the first time. The shape of the QD was established to have an insignificant influence on the magnitude of radial displacements. The insertion of a misfit defect (a partial Frank dislocation into the QD reduces the strain at the edges of the QD almost by 30%. The comparison of experimental and simulated data allowed us to explain the observed features of the moiré pattern in the image of a big InSb QD by the presence of a misfit defect at the QD-substrate interface.

  8. Structure-function features of a Mycoplasma glycolipid synthase derived from structural data integration, molecular simulations, and mutational analysis.

    Science.gov (United States)

    Romero-García, Javier; Francisco, Carles; Biarnés, Xevi; Planas, Antoni

    2013-01-01

    Glycoglycerolipids are structural components of mycoplasma membranes with a fundamental role in membrane properties and stability. Their biosynthesis is mediated by glycosyltransferases (GT) that catalyze the transfer of glycosyl units from a sugar nucleotide donor to diacylglycerol. The essential function of glycolipid synthases in mycoplasma viability, and the absence of glycoglycerolipids in animal host cells make these GT enzymes a target for drug discovery by designing specific inhibitors. However, rational drug design has been hampered by the lack of structural information for any mycoplasma GT. Most of the annotated GTs in pathogenic mycoplasmas belong to family GT2. We had previously shown that MG517 in Mycoplasma genitalium is a GT-A family GT2 membrane-associated glycolipid synthase. We present here a series of structural models of MG517 obtained by homology modeling following a multiple-template approach. The models have been validated by mutational analysis and refined by long scale molecular dynamics simulations. Based on the models, key structure-function relationships have been identified: The N-terminal GT domain has a GT-A topology that includes a non-conserved variable region involved in acceptor substrate binding. Glu193 is proposed as the catalytic base in the GT mechanism, and Asp40, Tyr126, Tyr169, Ile170 and Tyr218 define the substrates binding site. Mutation Y169F increases the enzyme activity and significantly alters the processivity (or sequential transferase activity) of the enzyme. This is the first structural model of a GT-A glycoglycerolipid synthase and provides preliminary insights into structure and function relationships in this family of enzymes.

  9. Biochemical and structural features of extracellular vesicle-binding RNA aptamers

    Science.gov (United States)

    Murakami, Kazuyoshi; Zhao, Jing; Yamasaki, Kazuhiko; Miyagishi, Makoto

    2017-01-01

    Extracellular vesicles are particles in mammalian body fluids that have attracted considerable attention as biomarkers for various diseases. In the present study, the authors isolated RNA aptamers with an affinity for extracellular vesicles from two library pools that encoded randomized sequences of different lengths. After the several rounds of selection, two conserved motifs are identified in the sequences that are obtained by next-generation sequencing. Most of the sequences were predicted to adopt a secondary structure that consisted of a non-conserved stem structure and a conserved loop sequence. Two minimal similar sequences are synthesized and confirmed the ability of these sequences to bind to extracellular vesicles. Circular dichroism spectroscopy and melting temperature analysis demonstrated that the aptamers were able to form a G-quadruplex structure in their loop regions and these structures were stabilized by potassium ions. Consistent with these structural data, the affinity of each aptamer for extracellular vesicles was dependent on potassium ions. The aptamers that were identified may be useful molecular tools for the development of diagnostic methods that utilize body fluids, such as blood, saliva and urine. PMID:28584632

  10. [Structural features of the pulp ground substance and its significance for acute and chronic pulpitis].

    Science.gov (United States)

    Davarashvili, Capital Ka Cyrillich; Dgebuadze, M; Melikadze, E; Zhvitiashvili, T; Jandieri, K

    2012-12-01

    The goal of the research study is an analysis of amorphous material, fibers and cellular elements of the dental pulp and evaluation of their interactions with a variety of fibrouse structures in the norm and inflammation. To solve this problem used dental pulp tissue bioptats (10 cases) of patients with acute and chronic pulpitis and 10 control specimens (orthodontic operations). The material was studied by histological and electron microscopic methods of research. It was determined that in acute pulpitis develope changes promoting dissociation of fibrouse and cellular structures of pulp components, and thus, loss the cementing binding role of the ground substance. Acute pulpitis characterized by the recruitment of mast cells. ; The reorganization and remodeling of ground substance associated with neoangiogenesis, especially capillaries, and the replacement of collagen fibers by the fibrouse structures are major points in chronic pulpitis.

  11. Structural features and kinetic characterization of alanine racemase from Bacillus pseudofirmus OF4.

    Science.gov (United States)

    Dong, Hui; Hu, Tingting; He, Guangzheng; Lu, Deren; Qi, Jianxun; Dou, Yanshu; Long, Wei; He, Xin; Ju, Jiansong; Su, Dan

    2018-02-26

    Alanine racemase (Alr) is a pyridoxal-5'-phosphate-dependent (PLP) enzyme that catalyzes a reversible racemization between the enantiomers of alanine. d-Alanine is an indispensable constituent in the biosynthesis of bacterial cell-wall peptidoglycan, and its inhibition is lethal to prokaryotes, which makes it an attractive target for designing antibacterial drugs. In this study, the molecular structure of alanine racemase from Bacillus pseudofirmus OF4 (DadX OF4 ) was determined by X-ray crystallography to a resolution of 1.8 Å. The comparison of DadX OF4 with alanine racemases from other bacteria demonstrated a conserved overall fold. Enzyme kinetics analysis showed that the conserved residues at the substrate entryway and the salt bridge at the dimer interface are critical for enzyme activity. These structural and biochemical findings provide a template for future structure-based drug-development efforts targeting alanine racemases. Copyright © 2018 Elsevier Inc. All rights reserved.

  12. Nonplanar Organic Sensitizers Featuring a Tetraphenylethene Structure and Double Electron-Withdrawing Anchoring Groups.

    Science.gov (United States)

    Zhang, Fangshuai; Fan, Jie; Yu, Huijuan; Ke, Zhuofeng; Nie, Changming; Kuang, Daibin; Shao, Guang; Su, Chengyong

    2015-09-18

    Two metal-free organic sensitizers containing two N,N-diethylaniline (DEA) moieties and a twisted 1,1,2,2-tetraphenylethene (TPE) structure, dye SD with one anchoring group and dye DD with two anchoring groups, were synthesized and applied in dye-sensitized solar cells (DSSCs). The introduction of a nonplanar TPE structure was used to form a series of propeller-like structures and reduce the tendency of dyes to randomly aggregate on TiO2 surface, but without importing an aggregation-induced emission (AIE) property. The thermal stabilities, UV-vis absorption spectra, electrochemical properties, and photovoltaic parameters of DSSCs with these two dyes were systematically studied and compared with each other. The overall conversion efficiencies (η) of 4.56% for dye SD and 6.08% for dye DD were obtained under AM 1.5 G irradiation.

  13. Features of structural and technological solutions for receiving system of small radio telescopes

    Directory of Open Access Journals (Sweden)

    Gluschechenko E. N.

    2016-05-01

    Full Text Available The article presents new technological solutions and structural approaches for design of radiometric receiving systems for small diameter antennas. Problems which need to be dealt with in the process of realization of such systems are formulated. All of the considered problems, both structural and technological, encountered when creating radiometric receiving systems for small diameter antennas, were not only tested on the mockups, but also successfully implemented in three sets of radiometric systems of modern radio astronomy facilities. In addition, the described approach to solving these problems is recommended for the wide application by the international VLBI service.

  14. Anomalous refraction of infrared waves through ultrathin all dielectric metasurfaces

    Science.gov (United States)

    Vieira, R. A.; Simões de Castro, T. F.; Rodriguez-Esquerre, V. F.

    2017-08-01

    A multipeak Metasurfaces are the two dimensional equivalents of bulk metamaterials [1, 2], which represent a sudden variation of optical properties when an incident wave interacts with it, yielding the most exotic optical phenomena, such as broadband absorption, wavefront shaping or the anomalous refraction and reflection. This paper proposes, through simulations, a model of a purely dielectric metasurface without losses, allowing the incident wave's global phase control, from - π to π, for operation on optical frequencies (1.55 μm) by inserting structures that have contrasting refractive indexes. To demonstrate the phase control, a linear phase profile has been utilized to cause the anomalous refraction phenomena, which has applications in wireless optical communications.

  15. Anomalous Amplitude Attenuation Method to Enhance Seismic Resolution

    Directory of Open Access Journals (Sweden)

    Muchlis .

    2015-05-01

    Full Text Available Anomalous Amplitude Attenuation (AAA is a method to process seismic data with multilevel processing (multi step flow. AAA is indicated for identifying anomalous seismic amplitude (amplitude noise such as: spike noise, noise and noised trace. AAA is a filter applied to the data in the frequency domain, range, both in CMP/CDP, offset or gather shot. Processing of the data depends on how the sensor (the geophone receives seismic waves, and then set the data back into the format demultiplex (SEG-Y and then processed according to the rules (flowchart seismic reflection processing.This method has been applied to improve the old seismic data of an exploration company in prospecting the unseen structure in prospecting the hydrocarbon trapped within sedimentary rock subsurface.

  16. Anomalous diffusion and diffusion anomaly in confined Janus dumbbells.

    Science.gov (United States)

    B Krott, Leandro; Gavazzoni, Cristina; Bordin, José Rafael

    2016-12-28

    Self-assembly and dynamical properties of Janus nanoparticles have been studied by molecular dynamic simulations. The nanoparticles are modeled as dimers and they are confined between two flat parallel plates to simulate a thin film. One monomer from the dumbbells interacts by a standard Lennard-Jones potential and the other by a two-length scales shoulder potential, typically used for anomalous fluids. Here, we study the effects of removing the Brownian effects, typical from colloidal systems immersed in aqueous solution, and consider a molecular system, without the drag force and the random collisions from the Brownian motion. Self-assembly and diffusion anomaly are preserved in relation to the Brownian system. Additionally, a superdiffusive regime associated to a collective reorientation in a highly structured phase is observed. Diffusion anomaly and anomalous diffusion are explained in the two length scale framework.

  17. Anomalous diffusion and diffusion anomaly in confined Janus dumbbells

    Science.gov (United States)

    Krott, Leandro B.; Gavazzoni, Cristina; Bordin, José Rafael

    2016-12-01

    Self-assembly and dynamical properties of Janus nanoparticles have been studied by molecular dynamic simulations. The nanoparticles are modeled as dimers and they are confined between two flat parallel plates to simulate a thin film. One monomer from the dumbbells interacts by a standard Lennard-Jones potential and the other by a two-length scales shoulder potential, typically used for anomalous fluids. Here, we study the effects of removing the Brownian effects, typical from colloidal systems immersed in aqueous solution, and consider a molecular system, without the drag force and the random collisions from the Brownian motion. Self-assembly and diffusion anomaly are preserved in relation to the Brownian system. Additionally, a superdiffusive regime associated to a collective reorientation in a highly structured phase is observed. Diffusion anomaly and anomalous diffusion are explained in the two length scale framework.

  18. Structural features of flower trichomes in drug eyebright (Euphrasia stricta D. Wolff EX J. F. Lehm.

    Directory of Open Access Journals (Sweden)

    Weronika Haratym

    2014-01-01

    Full Text Available Euphrasia stricta D. Wolff ex J. F. Lehm. (Orobanchaceae is a representative of plants that are widely used in folk medicine, phytomedicine, and homeopathy. The medicinal raw material derived from the drug eyebright is applied primarily in treatment of ophthalmic diseases. The investigations of trichomes in drug eyebright (Euphrasia stricta D. Wolff ex J. F. Lehm were conducted in 2010–2011. Using light microscopy and scanning electron microscopy, their location and morphological and anatomical features were identified. Three types of non-glandular trichomes were found: short unicellular, long 1–2 celled, and long 2-celled with wall ornamentation. Additionally, 7 types of glandular trichomes were found; these included: unicellular clavate, 2–3-celled clavate, capitate with a unicellular head and a 3-cel- led stalk, capitate with a unicellular head and a 2-celled stalk, capitate with a 2-celled head, conical papillae, and ribbon-like trichomes with wall thickening.

  19. A composite method based on formal grammar and DNA structural features in detecting human polymerase II promoter region.

    Directory of Open Access Journals (Sweden)

    Sutapa Datta

    Full Text Available An important step in understanding gene regulation is to identify the promoter regions where the transcription factor binding takes place. Predicting a promoter region de novo has been a theoretical goal for many researchers for a long time. There exists a number of in silico methods to predict the promoter region de novo but most of these methods are still suffering from various shortcomings, a major one being the selection of appropriate features of promoter region distinguishing them from non-promoters. In this communication, we have proposed a new composite method that predicts promoter sequences based on the interrelationship between structural profiles of DNA and primary sequence elements of the promoter regions. We have shown that a Context Free Grammar (CFG can formalize the relationships between different primary sequence features and by utilizing the CFG, we demonstrate that an efficient parser can be constructed for extracting these relationships from DNA sequences to distinguish the true promoter sequences from non-promoter sequences. Along with CFG, we have extracted the structural features of the promoter region to improve upon the efficiency of our prediction system. Extensive experiments performed on different datasets reveals that our method is effective in predicting promoter sequences on a genome-wide scale and performs satisfactorily as compared to other promoter prediction techniques.

  20. Research of features and structure of electoral space of Ukraine in 2014 with the use of synthetic approach

    Directory of Open Access Journals (Sweden)

    M. M. Shelemba

    2015-02-01

    Full Text Available The article is aimed at the ground of expediency of the use of synthetic authorial model for research of features and structure of electoral space of Ukraine in 2014 year. Methodological principles of the use of synthetic model are expounded with the use of quality and quantitative methods researches of electoral space, among that methods of factor and cross­correlation analysis. A synthetic model (approach that is built on the basis of the use of the best scientific approaches takes into account features and progress of electoral space of Ukraine trends. The analysis of features and structure of electoral space of Ukraine is conducted in 2014 with the use of an offer model. The application author synthetic model allows the study of the use of association factor and correlation analysis to justify support to political parties during election campaigns, respectively, depending on the factors and the most important correlates. It was found that electoral choice depends on the actions of those factors in the highest degree the expectations of the region. This article has shown that the use of Ukraine at this stage of the investigated during election campaigns as the most significant social correlates of «Human Development Index» is reasonable and one that makes it possible to obtain reliable results. It is proved that a high level of correlation holds at a high level of support the party and, consequently, high sense of social correlates all variants of expert research.

  1. A Composite Method Based on Formal Grammar and DNA Structural Features in Detecting Human Polymerase II Promoter Region

    Science.gov (United States)

    Datta, Sutapa; Mukhopadhyay, Subhasis

    2013-01-01

    An important step in understanding gene regulation is to identify the promoter regions where the transcription factor binding takes place. Predicting a promoter region de novo has been a theoretical goal for many researchers for a long time. There exists a number of in silico methods to predict the promoter region de novo but most of these methods are still suffering from various shortcomings, a major one being the selection of appropriate features of promoter region distinguishing them from non-promoters. In this communication, we have proposed a new composite method that predicts promoter sequences based on the interrelationship between structural profiles of DNA and primary sequence elements of the promoter regions. We have shown that a Context Free Grammar (CFG) can formalize the relationships between different primary sequence features and by utilizing the CFG, we demonstrate that an efficient parser can be constructed for extracting these relationships from DNA sequences to distinguish the true promoter sequences from non-promoter sequences. Along with CFG, we have extracted the structural features of the promoter region to improve upon the efficiency of our prediction system. Extensive experiments performed on different datasets reveals that our method is effective in predicting promoter sequences on a genome-wide scale and performs satisfactorily as compared to other promoter prediction techniques. PMID:23437045

  2. Effect of B2O3 addition on microhardness and structural features of ...

    Indian Academy of Sciences (India)

    Phosphate glasses having composition, 40Na2O–10BaO–B2O3–(50–)P2O5, where = 0–20 mol% were prepared using conventional melt quench technique. Density of these glasses was measured using Archimedes principle. Microhardness (MH) was measured by Vicker's indentation technique. Structural studies ...

  3. [3.3]Dithia-bridged cyclophanes featuring a thienothiophene ring : synthesis, structures and conformational analysis

    NARCIS (Netherlands)

    Mashraqui, Sabir H.; Sanghvikar, Yogesh; Ghadhigaonkar, Shailesh; Kumar, Sukeerthi; Meetsma, Auke; Dau, Elise Tran Huu

    2009-01-01

    The synthesis of [3.3]dithia-bridgedcyclophanes 7, 9 and 11 incorporating a fused heterocycle, thieno[2,3-b] thiophene is described. The structures are established by H-1 NMR analysis and, in the case of 11, also by single crystal X-ray crystallography. Conformational analysis by variable

  4. Structural features of condensed tannins affect in vitro ruminal methane production and fermentation characteristics

    NARCIS (Netherlands)

    HUYEN, N. T.; FRYGANAS, C.; UITTENBOGAARD, G.; MUELLER-HARVEY, I.; VERSTEGEN, M. W. A.; HENDRIKS, W. H.; PELLIKAAN, W. F.

    2016-01-01

    An in vitro study was conducted to investigate the effects of condensed tannin (CT) structural properties, i.e. average polymer size (or mean degree of polymerization), percentage of cis flavan-3-ols and percentage of prodelphinidins in CT extracts on methane (CH 4 ) production and fermentation

  5. Structural features of condensed tannins affect in vitro ruminal methane production and fermentation characteristics

    NARCIS (Netherlands)

    Huyen, N.T.; Fryganas, C.; Uittenbogaard, G.; Mueller-Harvey, I.; Verstegen, M.W.A.; Hendriks, W.H.; Pellikaan, W.F.

    2016-01-01

    An in vitro study was conducted to investigate the effects of condensed tannin (CT) structural properties, i.e. average polymer size (or mean degree of polymerization), percentage of cis flavan-3-ols and percentage of prodelphinidins in CT extracts on methane (CH4) production and

  6. Salient design features of secondary containment structure of Narora Atomic Power Project

    International Nuclear Information System (INIS)

    Rahalkar, B.D.

    1975-01-01

    Design of the secondary containment structure for Narora Atomic Power Project is an improvement over the two earlier structures at of Rajasthan and Kalpakkam wherein Candu-type of reactors are involved. The major improvements envisaged are : to limit the leakage through the double containment envelope to 0.1% of volume of the building per day as against 0.1% per hour achieved for earlier stations; to separate heavy water atmosphere from that of light water for effective heavy water recovery; and better man-rem budgetting by limiting inner containment structure upto boiler room floor level and making boiler room area accessible during normal operation for servicing of light water system equipment. Narora Atomic Power Station is located in the Indo-Gangetic alluvial plains in seismically active zone IV. Comprehensive soil investigation, including dynamic properties of soil is required to be undertaken as the foundation level of the containment structure is 17 M below the ground level. The salient results of this investigation relevant to the foundations as well as type of foundation proposed are presented in brief. Double containment concept similar to that adopted for Kalpakkam station is provided for this station also. However, necessary changes in design to withstand large earthquake forces are required to be made. These design problems are discussed in brief. (author)

  7. 2D plasmonic and diffractive structures with sharp features by UV laser patterning

    Czech Academy of Sciences Publication Activity Database

    Peláez, R.J.; Afonso, C.N.; Bulíř, Jiří; Novotný, Michal; Lančok, Ján; Piksová, K.

    2013-01-01

    Roč. 24, č. 9 (2013), "095301-1"-"095301-7" ISSN 0957-4484 R&D Projects: GA AV ČR IAA100100718 Institutional support: RVO:68378271 Keywords : silver thin film * silver nanoparticles * plasmonics * diffractive structures * laser processing Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.672, year: 2013

  8. Structural features, substrate specificity, kinetic properties of insect α-amylase and specificity of plant α-amylase inhibitors.

    Science.gov (United States)

    Kaur, Rimaljeet; Kaur, Narinder; Gupta, Anil Kumar

    2014-11-01

    α-Amylase is an important digestive enzyme required for the optimal growth and development of insects. Several insect α-amylases had been purified and their physical and chemical properties were characterized. Insect α-amylases of different orders display variability in structure, properties and substrate specificity. Such diverse properties of amylases could be due to different feeding habits and gut environment of insects. In this review, structural features and properties of several insect α-amylases were compared. This could be helpful in exploring the diversity in characteristics of α-amylase between the members of the same class (insecta). Properties like pH optima are reflected in enzyme structural features. In plants, α-amylase inhibitors (α-AIs) occur as part of natural defense mechanisms against pests by interfering in their digestion process and thus could also provide access to new pest management strategies. AIs are quite specific in their action; therefore, these could be employed according to their effectiveness against target amylases. Potential of transgenics with α-AIs has also been discussed for insect resistance and controlling infestation. The differences in structural features of insect α-amylases provided reasons for their efficient functioning at different pH and the specificity towards various substrates. Various proteinaceous and non-proteinaceous inhibitors discussed could be helpful in controlling pest infestation. In depth detailed studies are required on proteinaceous α-AI-α-amylase interaction at different pH's as well as the insect proteinase action on these inhibitors before selecting the α-AI for making transgenics resistant to particular insect. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Anomalous Hall effect in Fe/Gd bilayers

    KAUST Repository

    Xu, W. J.

    2010-04-01

    Non-monotonic dependence of anomalous Hall resistivity on temperature and magnetization, including a sign change, was observed in Fe/Gd bilayers. To understand the intriguing observations, we fabricated the Fe/Gd bilayers and single layers of Fe and Gd simultaneously. The temperature and field dependences of longitudinal resistivity, Hall resistivity and magnetization in these films have also been carefully measured. The analysis of these data reveals that these intriguing features are due to the opposite signs of Hall resistivity/or spin polarization and different Curie temperatures of Fe and Gd single-layer films. Copyright (C) EPLA, 2010

  10. Features of morpho-anatomic structure of vegetative organs of Sedum antiquum Omelcz et Zaverucha (Crassulaceae DC.

    Directory of Open Access Journals (Sweden)

    Valentyna Berezkina

    2015-05-01

    Full Text Available The study results of biological features and morpho-anatomical structure of vegetative organs of Sedum antiquum Omelcz et Zaverucha (Crassulaceae DC. are given. S. antiquum is Eastern Carpathian-Opillia rare endemic species. It is listed in the Red Book of Ukraine and in the European Red List of Animals and Plants and is endangered in world scale. As a result of study of morpho-anatomic structure of leaves and stems of S. antiquum the anisocytic type of stomata and presence of cuticle have been determined. It was ascertained that structure of leaves is adapted to the accumulation of significant water reserves and its further gradual use. Ecological and phytocenotic conditions of growth are studied too. S. antiquum has been determined here as petrophyte, calcephyl, and succulent ephemer. This rare species need protection and control of population state in all natural habitats.

  11. Features of Psychological Well-being Structure in Secondary School Students and Students from Different Areas of Vocational Training

    Directory of Open Access Journals (Sweden)

    Buchatskaya M. V.

    2015-08-01

    Full Text Available We raise the problem of generating a differential approach to the construction of psychological programs facilitating students depending on the direction of their training. We reveal that a significant criterion for professional competence of the future professional is his psychological well-being, which structure allows to estimate the potential psychological and pedagogical assistance. The results of empirical studies of the structure of psychological well-being (with the use of C.D. Ryff Scales of Psychological Well-Being based on the diagnostic sample of 300 people: students of universities and colleges, students enrolled in the areas of training “State and municipal management” and “Psychology”. The results reveal the structural features of the psychological well-being as subjective integral index in each group of students and allow them to be regarded as a differential criterion of optimization of educational resources

  12. Anomalous transport in heterogeneous media

    Science.gov (United States)

    Horbach, Jürgen; Siboni, Nima H.; Schnyder, Simon K.

    2017-08-01

    The diffusion dynamics of particles in heterogeneous media is studied using particle-based simulation techniques. A special focus is placed on systems where the transport of particles at long times exhibits anomalies such as subdiffusive or superdiffusive behavior. First, a two-dimensional model system is considered containing gas particles (tracers) that diffuse through a random arrangement of pinned, disk-shaped particles. This system is similar to a classical Lorentz gas. However, different from the original Lorentz model, soft instead of hard interactions are considered and we also discuss the case where the tracer particles interact with each other. We show that the modification from hard to soft interactions strongly affects anomalous-diffusive transport at high obstacle densities. Second, non-linear active micro-rheology in a glass-forming binary Yukawa mixture is investigated, pulling single particles through a deeply supercooled state by applying a constant force. Here, we observe superdiffusion in force direction and analyze its origin. Finally, we consider the Brownian dynamics of a particle which is pulled through a two-dimensional random force field. We discuss the similarities of this model with the Lorentz gas as well as active micro-rheology in glass-forming systems.

  13. Observation of the Zero Hall Plateau in a Quantum Anomalous Hall Insulator

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Yang; Feng, Xiao; Ou, Yunbo; Wang, Jing; Liu, Chang; Zhang, Liguo; Zhao, Dongyang; Jiang, Gaoyuan; Zhang, Shou-Cheng; He, Ke; Ma, Xucun; Xue, Qi-Kun; Wang, Yayu

    2015-09-16

    We report experimental investigations on the quantum phase transition between the two opposite Hall plateaus of a quantum anomalous Hall insulator. We observe a well-defined plateau with zero Hall conductivity over a range of magnetic field around coercivity when the magnetization reverses. The features of the zero Hall plateau are shown to be closely related to that of the quantum anomalous Hall effect, but its temperature evolution exhibits a significant difference from the network model for a conventional quantum Hall plateau transition. We propose that the chiral edge states residing at the magnetic domain boundaries, which are unique to a quantum anomalous Hall insulator, are responsible for the novel features of the zero Hall plateau.

  14. Renal Epithelial Cell Injury Induced by Calcium Oxalate Monohydrate Depends on their Structural Features: Size, Surface, and Crystalline Structure.

    Science.gov (United States)

    Sun, Xin-Yuan; Ouyang, Jian-Ming; Gan, Qiong-Zhi; Liu, Ai-Jie

    2016-11-01

    Urinary crystals in normal and kidney stone patients often differ in crystal sizes and surface structures, but the effects of different crystal properties on renal tubular epithelial cells remain unclear. This study aimed to compare the cytotoxicity of micron/nano-calcium oxalate monohydrate (COM) crystals with sizes of 50 nm, 200 nm, 1 μm, 3 μm, and 10 μm to African green monkey renal epithelial (Vero) cells, to reveal the effect of crystal size and surface structure on cell injury, and to investigate the pathological mechanism of calcium oxalate kidney stones. Cell viability, cellular biochemical parameters, and internalized crystal amount in Vero cells were closely associated with the size of COM crystals. At the same concentration (200 μg/mL), COM-1 μm induced the most serious injury to Vero cells and caused the most significant change to cellular biochemical parameters, which were related to the specific porous structure and highest internalized amount in Vero cells. By contrast, COM-50 nm and COM-200 nm crystals lost their small size effect because of serious aggregation and weakened their toxicity to cells. COM-3 μm and COM-10 μm crystals were too large for cells to completely internalize; these crystals also exhibited a low specific surface area and thus weakened their toxicity. The excessive expression of intracellular ROS and reduction of the free-radical scavenger SOD were the main reasons for cell injury and eventually caused necrotic cell death. Crystal size, surface structure, aggregation, and internalization amount were closely related to the cytotoxicity of COM crystals.

  15. Tunneling Anomalous and Spin Hall Effects.

    Science.gov (United States)

    Matos-Abiague, A; Fabian, J

    2015-07-31

    We predict, theoretically, the existence of the anomalous Hall effect when a tunneling current flows through a tunnel junction in which only one of the electrodes is magnetic. The interfacial spin-orbit coupling present in the barrier region induces a spin-dependent momentum filtering in the directions perpendicular to the tunneling current, resulting in a skew tunneling even in the absence of impurities. This produces an anomalous Hall conductance and spin Hall currents in the nonmagnetic electrode when a bias voltage is applied across the tunneling heterojunction. If the barrier is composed of a noncentrosymmetric material, the anomalous Hall conductance and spin Hall currents become anisotropic with respect to both the magnetization and crystallographic directions, allowing us to separate this interfacial phenomenon from the bulk anomalous and spin Hall contributions. The proposed effect should be useful for proving and quantifying the interfacial spin-orbit fields in metallic and metal-semiconductor systems.

  16. Anomalous effects of dense matter under rotation

    Science.gov (United States)

    Huang, Xu-Guang; Nishimura, Kentaro; Yamamoto, Naoki

    2018-02-01

    We study the anomaly induced effects of dense baryonic matter under rotation. We derive the anomalous terms that account for the chiral vortical effect in the low-energy effective theory for light Nambu-Goldstone modes. The anomalous terms lead to new physical consequences, such as the anomalous Hall energy current and spontaneous generation of angular momentum in a magnetic field (or spontaneous magnetization by rotation). In particular, we show that, due to the presence of such anomalous terms, the ground state of the quantum chromodynamics (QCD) under sufficiently fast rotation becomes the "chiral soliton lattice" of neutral pions that has lower energy than the QCD vacuum and nuclear matter. We briefly discuss the possible realization of the chiral soliton lattice induced by a fast rotation in noncentral heavy ion collisions.

  17. Prediction of protein structural features from sequence data based on Shannon entropy and Kolmogorov complexity.

    Science.gov (United States)

    Bywater, Robert Paul

    2015-01-01

    While the genome for a given organism stores the information necessary for the organism to function and flourish it is the proteins that are encoded by the genome that perhaps more than anything else characterize the phenotype for that organism. It is therefore not surprising that one of the many approaches to understanding and predicting protein folding and properties has come from genomics and more specifically from multiple sequence alignments. In this work I explore ways in which data derived from sequence alignment data can be used to investigate in a predictive way three different aspects of protein structure: secondary structures, inter-residue contacts and the dynamics of switching between different states of the protein. In particular the use of Kolmogorov complexity has identified a novel pathway towards achieving these goals.

  18. Prediction of protein structural features from sequence data based on Shannon entropy and Kolmogorov complexity.

    Directory of Open Access Journals (Sweden)

    Robert Paul Bywater

    Full Text Available While the genome for a given organism stores the information necessary for the organism to function and flourish it is the proteins that are encoded by the genome that perhaps more than anything else characterize the phenotype for that organism. It is therefore not surprising that one of the many approaches to understanding and predicting protein folding and properties has come from genomics and more specifically from multiple sequence alignments. In this work I explore ways in which data derived from sequence alignment data can be used to investigate in a predictive way three different aspects of protein structure: secondary structures, inter-residue contacts and the dynamics of switching between different states of the protein. In particular the use of Kolmogorov complexity has identified a novel pathway towards achieving these goals.

  19. Geology and structural features of vein-type lead and zinc deposits

    Science.gov (United States)

    Nekrasov, E. M.

    2007-12-01

    The geological and structural position and localization conditions of the vein-type Pb-Zn deposits of the Sadon (North Ossetia) and East Karamazar (North Tajikistan) ore districts are considered. The leading role of long-lived deep faults in the control of large deposits is emphasized. Examples of such deposits in different provinces are given. The study of fractures and faults at Pb-Zn deposits is important for understanding of the formation conditions of other hydrothermal deposits.

  20. Effect of B2O3 addition on microhardness and structural features of ...

    Indian Academy of Sciences (India)

    Unknown

    31P MAS NMR spectra of 40Na2O–10BaO–xB2O3–(50–x)P2O5, where x = 0–20 mol%, glass samples (α = spinning side bands). atoms). As B2O3 concentration increases at the expense of. P2O5, Q2 structural units get converted to Q1 and Q0 struc- tural units of P (P, having one and zero bridging oxygens, respectively).

  1. STRUCTURE FEATURES OF THE SODIUM-GERMANATE GLASSES DOPED WITH YTTERBIUM ERBIUM RETRIEVED FROM RAMAN SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    I. M. Sevastianova

    2016-09-01

    Full Text Available Subject of Research.The paper deals with study of Raman spectra and luminescence spectra in the visible region of the sodium-germanate glass: 49 GeO2 – 13 Na2O – 27 Yb2O3 – 11 La2O3 - 0,25 Er2O3 and presents research results. In addition, this glass is doped with 5 mol% of the following components MgO, BaO, Al2O3, PbO, Nb2O5, TiO2, SiO2, P2O5 in order to study the effect of these additives on the structure of the glassy matrix and the anti-Stokes luminescence spectra of erbium ions. Method. Raman scatteringspectra were recorded by Renishaw inVia Raman Microscope. Excitation source is a helium neon laser (λ= 633 nm with power equal to 50Wt. Anti-Stokes luminescence of erbium ions was registered in spectral region of 450–750 nm at room temperature (excitation laser wavelength is 975 nm, power is 1Wt. Main Results. It was shown that the structure of the initial glass does not change with the introduction of niobium as Nb2O5 in any coordination plays a role of network forming, building a single mixed grid with tetrahedrons [GeO4]. Introduction of the second glass former P2O5 leads to loosening germanate structure due to the appearance of the phosphate sublattice. This leads to a redistribution of the relative intensity of up-conversion luminescence bands with maxima at 540 and 670 nm compared with the initial glass. Introduction of additives PbO, MgO, Al2O3, TiO2 results in a multicenter structure. In case of titanium oxide addition it leads to a change in the relative intensities of the erbium luminescence.

  2. Synthesis and structural features of resorcinol–formaldehyde resin chars containing nickel nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Galaburda, M.V., E-mail: mashagayeva@yandex.ua [Chuiko Institute of Surface Chemistry, 17 General Naumov Str., Kyiv 03164 (Ukraine); Bogatyrov, V.M. [Chuiko Institute of Surface Chemistry, 17 General Naumov Str., Kyiv 03164 (Ukraine); Skubiszewska-Zięba, J. [Faculty of Chemistry, Maria Curie-Skłodowska University, Maria Curie-Sklodowska Sq.3, 20-031 Lublin (Poland); Oranska, O.I. [Chuiko Institute of Surface Chemistry, 17 General Naumov Str., Kyiv 03164 (Ukraine); Sternik, D. [Faculty of Chemistry, Maria Curie-Skłodowska University, Maria Curie-Sklodowska Sq.3, 20-031 Lublin (Poland); Gun’ko, V.M. [Chuiko Institute of Surface Chemistry, 17 General Naumov Str., Kyiv 03164 (Ukraine)

    2016-01-01

    Graphical abstract: - Highlights: • Facile synthesis of the Ni-doped carbon sorbents via carbonization of resorcinol–formaldehyde polymers/nickel(II) acetate mixtures in the inert atmosphere. • Effects of Ni content, as well as water volume and temperature treatment on the morphology and texture of the chars. • Ni/C composites are characterized by a core–shell structure with well-crystallized graphitic shells. • Ni content influences the structure of the carbon. • Nickel-doped carbon nanocomposites were used as a magnetically separable adsorbent. - Abstract: A series of meso- and microporous carbons containing magnetic Ni nanoparticles (Ni/C) with a variety of Ni loadings were synthesized by a simple one-pot procedure through carbonization of resorcinol–formaldehyde polymers containing various amounts of nickel(II) acetate. Such composite materials were characterized by N{sub 2} sorption, Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and Transmission electron microscope (TEM). The XRD patterns reveal peaks corresponding to face centered cubic nickel with the average size of crystallites of 17–18 nm. SEM and TEM results reveal that the formation of the nanoparticles took place mainly in the carbon spheres (1–2 μm in size) and on the outer surface as well. The as-prepared composites are characterized by a core–shell structure with well-crystallized graphitic shells about 8–15 nm in thickness. The Raman spectra show that Ni content influences the structure of the carbon. It was also shown that the morphology (particle shape and sizes) and porosity (pore volume and pore size distribution) of the chars are strongly dependent on water and nickel contents in the blends. One of the applications of Ni/C was demonstrated as a magnetically separable adsorbent.

  3. Quantitative analysis of composition, structure and features of hemoglobin under the influence of radiation in vivo

    International Nuclear Information System (INIS)

    Kurbanov, F.F.; Mamedov, T.G.; Abdullaev, Kh.D.; Akhmedov, N.A.; Manojlov, S.K.

    1995-01-01

    The literature data on the changes in composition, structure and properties of hemoglobin under the influence of ionizing radiation in vivo are reviewed. The algorithm of calculation of damaged hemoglobin molecule percentage is proposed. Four main realizations of radiation-chemical damage are considered. By the algorithm the estimation of the damaged molecules percentage resulted from the exposure to 10 Gy is given. Hemoglobin radiation damage is considered as one of the most important mechanisms triggering radiation sickness. 11 refs

  4. Atomic layer deposition TiO2 coated porous silicon surface: Structural characterization and morphological features

    International Nuclear Information System (INIS)

    Iatsunskyi, Igor; Jancelewicz, Mariusz; Nowaczyk, Grzegorz; Kempiński, Mateusz; Peplińska, Barbara; Jarek, Marcin; Załęski, Karol; Jurga, Stefan; Smyntyna, Valentyn

    2015-01-01

    TiO 2 thin films were grown on highly-doped p-Si (100) macro- and mesoporous structures by atomic layer deposition (ALD) using TiCl 4 and deionized water as precursors at 300 °C. The crystalline structure, chemical composition, and morphology of the deposited films and initial silicon nanostructures were investigated by scanning electron microscopy, transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, micro-Raman spectroscopy and X-ray diffraction (XRD). The mean size of TiO 2 crystallites was determined by TEM, XRD and Raman spectroscopy. It was shown that the mean crystallite size and the crystallinity of the TiO 2 are influenced dramatically by the morphology of the porous silicon, with the mesoporous silicon resulting in a much finer grain size and amorphous structure than the macroporous silicon having a partially crystal anatase phase. A simple model of the ALD layer growth inside the pores was presented. - Highlights: • The morphology and chemical composition of TiO 2 and porous Si were established. • The approximate size of TiO 2 nanocrystals was estimated. • The model of the atomic layer deposition coating in the porous Si was presented

  5. Structure and electronic properties features of amorphous chalhogenide semiconductor films prepared by ion-plasma spraying

    Energy Technology Data Exchange (ETDEWEB)

    Korobova, N., E-mail: korobova3@mail.ru; Timoshenkov, S. [Department of Microelectronics, National Research University of Electronic Technology (MIET), Zelenograd (Russian Federation); Almasov, N.; Prikhodko, O. [al-Farabi Kazakh National University, Almaty (Kazakhstan); Tsendin, K. [Ioffe Physical-Technical Institute, Russian Academy of Sciences, St. Petersburg (Russian Federation)

    2014-10-21

    Structure of amorphous chalcogenide semiconductor glassy As-S-Se films, obtained by high-frequency (HF) ion-plasma sputtering has been investigated. It was shown that the length of the atomic structure medium order and local structure were different from the films obtained by thermal vacuum evaporation. Temperature dependence of dark conductivity, as well as the dependence of the spectral transmittance has been studied. Conductivity value was determined at room temperature. Energy activation conductivity and films optical band gap have been calculated. Temperature and field dependence of the drift mobility of charge carriers in the HF As-S-Se films have been shown. Bipolarity of charge carriers drift mobility has been confirmed. Absence of deep traps for electrons in the As{sub 40}Se{sub 30}S{sub 30} spectrum of localized states for films obtained by HF plasma ion sputtering was determined. Bipolar drift of charge carriers was found in amorphous As{sub 40}Se{sub 30}S{sub 30} films obtained by ion-plasma sputtering of high-frequency, unlike the films of these materials obtained by thermal evaporation.

  6. Establishing whether the structural feature controlling the mechanical properties of starch films is molecular or crystalline.

    Science.gov (United States)

    Li, Ming; Xie, Fengwei; Hasjim, Jovin; Witt, Torsten; Halley, Peter J; Gilbert, Robert G

    2015-03-06

    The effects of molecular and crystalline structures on the tensile mechanical properties of thermoplastic starch (TPS) films from waxy, normal, and high-amylose maize were investigated. Starch structural variations were obtained through extrusion and hydrothermal treatment (HTT). The molecular and crystalline structures were characterized using size-exclusion chromatography and X-ray diffractometry, respectively. TPS from high-amylose maize showed higher elongation at break and tensile strength than those from normal maize and waxy maize starches when processed with 40% plasticizer. Within the same amylose content, the mechanical properties were not affected by amylopectin molecular size or the crystallinity of TPS prior to HTT. This lack of correlation between the molecular size, crystallinity and mechanical properties may be due to the dominant effect of the plasticizer on the mechanical properties. Further crystallization of normal maize TPS by HTT increased the tensile strength and Young's modulus, while decreasing the elongation at break. The results suggest that the crystallinity from the remaining ungelatinized starch granules has less significant effect on the mechanical properties than that resulting from starch recrystallization, possibly due to a stronger network from leached-out amylose surrounding the remaining starch granules. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Parallel-stranded DNA and RNA duplexes - structural features and potential applications.

    Science.gov (United States)

    Szabat, Marta; Kierzek, Ryszard

    2017-12-01

    Nowadays, decades after the discovery of the right-handed B form of DNA, it is well known that nucleic acids have great conformational flexibility, exhibiting a large degree of variation in their structure. In nature, DNA and RNA exist in an antiparallel orientation, stabilized by Watson-Crick base pairs. However, in some cases, nucleic acid fragments with specific nucleotide sequences can adopt a parallel orientation involving non-canonical base pairing. Interestingly, parallel-stranded duplexes have been found in specific chromosome regions. Furthermore, parallel oriented regions have also been found in bacterial (Escherichia coli, Listeria innocua) and insect genomes (Drosophila melanogaster). These unusual structures could have a remarkable evolutionary role, as well as significant impact on biological processes. For example, parallel stretches were shown to be involved in processing the 3' ends of mRNAs and in specific gene silencing. Moreover, certain types of parallel-stranded duplexes may be useful tools, with several practical applications. They can constitute excellent templates for the formation of other structures and for the development of antigene and antisense approaches. © 2017 Federation of European Biochemical Societies.

  8. An electrocardiography algorithm combined with clinical features could localize the origins of focal atrial tachycardias in adjacent structures.

    Science.gov (United States)

    Uhm, Jae-Sun; Shim, Jaemin; Wi, Jin; Mun, Hee-Sun; Pak, Hui-Nam; Lee, Moon-Hyoung; Joung, Boyoung

    2014-07-01

    It is difficult to differentiate the origins of focal atrial tachycardias (ATs) in adjacent structures by electrocardiography (ECG) alone. The aim of this study was to evaluate whether the clinical features of these ATs may help differentiate their origins. One hundred and ninety-four patients (mean age, 43.5 ± 17.9 years; male, 53.6%) who underwent electrophysiological study for focal AT were included. We evaluated accuracy in differentiating the origin of AT by using ECG alone as well as with the addition of the clinical features. Electrocardiographs of ATs originating from the left superior pulmonary vein (LSPV, n = 24) vs. the left atrial appendage (LAA, n = 6), and from the right superior pulmonary vein (RSPV, n = 14) vs. the superior vena cava (SVC, n = 8) showed similar patterns. However, while no ATs from the LAA were found to be related to paroxysmal atrial fibrillation, 22 out of 24 ATs from the LSPV were associated with this condition. After localizing AT by using ECG, this clinical feature helped differentiate the ATs from the LSPV vs. the LAA with 93% accuracy. Moreover, while an on-and-off tachycardia (initiated and terminated more than 10 times per day) was observed in 4 of 8 ATs from the SVC, this pattern was observed in 13 of 14 ATs from the RSPV. After localizing the ATs by using ECG, on-and-off tachycardia helped differentiate the ATs from the RSPV vs. the SVC with 82% accuracy. The clinical features and Holter monitoring can give additional information for differentiating the focal ATs originating from the adjacent structures. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2013. For permissions please email: journals.permissions@oup.com.

  9. The structure of Haemophilus influenzae prephenate dehydrogenase suggests unique features of bifunctional TyrA enzymes

    International Nuclear Information System (INIS)

    Chiu, Hsiu-Ju; Abdubek, Polat; Astakhova, Tamara; Axelrod, Herbert L.; Carlton, Dennis; Clayton, Thomas; Das, Debanu; Deller, Marc C.; Duan, Lian; Feuerhelm, Julie; Grant, Joanna C.; Grzechnik, Anna; Han, Gye Won; Jaroszewski, Lukasz; Jin, Kevin K.; Klock, Heath E.; Knuth, Mark W.; Kozbial, Piotr; Krishna, S. Sri; Kumar, Abhinav; Marciano, David; McMullan, Daniel; Miller, Mitchell D.; Morse, Andrew T.; Nigoghossian, Edward; Okach, Linda; Reyes, Ron; Tien, Henry J.; Trame, Christine B.; Bedem, Henry van den; Weekes, Dana; Xu, Qingping; Hodgson, Keith O.; Wooley, John; Elsliger, Marc-André; Deacon, Ashley M.; Godzik, Adam; Lesley, Scott A.; Wilson, Ian A.

    2010-01-01

    The crystal structure of the prephenate dehydrogenase component of the bifunctional H. influenzae TyrA reveals unique structural differences between bifunctional and monofunctional TyrA enzymes. Chorismate mutase/prephenate dehydrogenase from Haemophilus influenzae Rd KW20 is a bifunctional enzyme that catalyzes the rearrangement of chorismate to prephenate and the NAD(P) + -dependent oxidative decarboxylation of prephenate to 4-hydroxyphenylpyruvate in tyrosine biosynthesis. The crystal structure of the prephenate dehydrogenase component (HinfPDH) of the TyrA protein from H. influenzae Rd KW20 in complex with the inhibitor tyrosine and cofactor NAD + has been determined to 2.0 Å resolution. HinfPDH is a dimeric enzyme, with each monomer consisting of an N-terminal α/β dinucleotide-binding domain and a C-terminal α-helical dimerization domain. The structure reveals key active-site residues at the domain interface, including His200, Arg297 and Ser179 that are involved in catalysis and/or ligand binding and are highly conserved in TyrA proteins from all three kingdoms of life. Tyrosine is bound directly at the catalytic site, suggesting that it is a competitive inhibitor of HinfPDH. Comparisons with its structural homologues reveal important differences around the active site, including the absence of an α–β motif in HinfPDH that is present in other TyrA proteins, such as Synechocystis sp. arogenate dehydrogenase. Residues from this motif are involved in discrimination between NADP + and NAD + . The loop between β5 and β6 in the N-terminal domain is much shorter in HinfPDH and an extra helix is present at the C-terminus. Furthermore, HinfPDH adopts a more closed conformation compared with TyrA proteins that do not have tyrosine bound. This conformational change brings the substrate, cofactor and active-site residues into close proximity for catalysis. An ionic network consisting of Arg297 (a key residue for tyrosine binding), a water molecule, Asp206 (from

  10. Discriminative Analysis of Migraine without Aura: Using Functional and Structural MRI with a Multi-Feature Classification Approach.

    Directory of Open Access Journals (Sweden)

    Qiongmin Zhang

    Full Text Available Magnetic resonance imaging (MRI is by nature a multi-modality technique that provides complementary information about different aspects of diseases. So far no attempts have been reported to assess the potential of multi-modal MRI in discriminating individuals with and without migraine, so in this study, we proposed a classification approach to examine whether or not the integration of multiple MRI features could improve the classification performance between migraine patients without aura (MWoA and healthy controls. Twenty-one MWoA patients and 28 healthy controls participated in this study. Resting-state functional MRI data was acquired to derive three functional measures: the amplitude of low-frequency fluctuations, regional homogeneity and regional functional correlation strength; and structural MRI data was obtained to measure the regional gray matter volume. For each measure, the values of 116 pre-defined regions of interest were extracted as classification features. Features were first selected and combined by a multi-kernel strategy; then a support vector machine classifier was trained to distinguish the subjects at individual level. The performance of the classifier was evaluated using a leave-one-out cross-validation method, and the final classification accuracy obtained was 83.67% (with a sensitivity of 92.86% and a specificity of 71.43%. The anterior cingulate cortex, prefrontal cortex, orbitofrontal cortex and the insula contributed the most discriminative features. In general, our proposed framework shows a promising classification capability for MWoA by integrating information from multiple MRI features.

  11. Very high resolution Earth observation features for monitoring plant and animal community structure across multiple spatial scales in protected areas

    Science.gov (United States)

    Mairota, Paola; Cafarelli, Barbara; Labadessa, Rocco; Lovergine, Francesco; Tarantino, Cristina; Lucas, Richard M.; Nagendra, Harini; Didham, Raphael K.

    2015-05-01

    Monitoring the status and future trends in biodiversity can be prohibitively expensive using ground-based surveys. Consequently, significant effort is being invested in the use of satellite remote sensing to represent aspects of the proximate mechanisms (e.g., resource availability) that can be related to biodiversity surrogates (BS) such as species community descriptors. We explored the potential of very high resolution (VHR) satellite Earth observation (EO) features as proxies for habitat structural attributes that influence spatial variation in habitat quality and biodiversity change. In a semi-natural grassland mosaic of conservation concern in southern Italy, we employed a hierarchical nested sampling strategy to collect field and VHR-EO data across three spatial extent levels (landscape, patch and plot). Species incidence and abundance data were collected at the plot level for plant, insect and bird functional groups. Spectral and textural VHR-EO image features were derived from a Worldview-2 image. Three window sizes (grains) were tested for analysis and computation of textural features, guided by the perception limits of different organisms. The modelled relationships between VHR-EO features and BS responses differed across scales, suggesting that landscape, patch and plot levels are respectively most appropriate when dealing with birds, plants and insects. This research demonstrates the potential of VHR-EO for biodiversity mapping and habitat modelling, and highlights the importance of identifying the appropriate scale of analysis for specific taxonomic groups of interest. Further, textural features are important in the modelling of functional group-specific indices which represent BS in high conservation value habitat types, and provide a more direct link to species interaction networks and ecosystem functioning, than provided by traditional taxonomic diversity indices.

  12. Evaluation of machine learning algorithms and structural features for optimal MRI-based diagnostic prediction in psychosis

    Science.gov (United States)

    Salvador, Raymond; Radua, Joaquim; Canales-Rodríguez, Erick J.; Solanes, Aleix; Sarró, Salvador; Goikolea, José M.; Valiente, Alicia; Monté, Gemma C.; Natividad, María del Carmen; Guerrero-Pedraza, Amalia; Moro, Noemí; Fernández-Corcuera, Paloma; Amann, Benedikt L.; Maristany, Teresa; Vieta, Eduard; McKenna, Peter J.; Pomarol-Clotet, Edith

    2017-01-01

    A relatively large number of studies have investigated the power of structural magnetic resonance imaging (sMRI) data to discriminate patients with schizophrenia from healthy controls. However, very few of them have also included patients with bipolar disorder, allowing the clinically relevant discrimination between both psychotic diagnostics. To assess the efficacy of sMRI data for diagnostic prediction in psychosis we objectively evaluated the discriminative power of a wide range of commonly used machine learning algorithms (ridge, lasso, elastic net and L0 norm regularized logistic regressions, a support vector classifier, regularized discriminant analysis, random forests and a Gaussian process classifier) on main sMRI features including grey and white matter voxel-based morphometry (VBM), vertex-based cortical thickness and volume, region of interest volumetric measures and wavelet-based morphometry (WBM) maps. All possible combinations of algorithms and data features were considered in pairwise classifications of matched samples of healthy controls (N = 127), patients with schizophrenia (N = 128) and patients with bipolar disorder (N = 128). Results show that the selection of feature type is important, with grey matter VBM (without data reduction) delivering the best diagnostic prediction rates (averaging over classifiers: schizophrenia vs. healthy 75%, bipolar disorder vs. healthy 63% and schizophrenia vs. bipolar disorder 62%) whereas algorithms usually yielded very similar results. Indeed, those grey matter VBM accuracy rates were not even improved by combining all feature types in a single prediction model. Further multi-class classifications considering the three groups simultaneously made evident a lack of predictive power for the bipolar group, probably due to its intermediate anatomical features, located between those observed in healthy controls and those found in patients with schizophrenia. Finally, we provide MRIPredict (https

  13. Crystal structures of two transcriptional regulators from Bacillus cereus define the conserved structural features of a PadR subfamily.

    Directory of Open Access Journals (Sweden)

    Guntur Fibriansah

    Full Text Available PadR-like transcriptional regulators form a structurally-related family of proteins that control the expression of genes associated with detoxification, virulence and multi-drug resistance in bacteria. Only a few members of this family have been studied by genetic, biochemical and biophysical methods, and their structure/function relationships are still largely undefined. Here, we report the crystal structures of two PadR-like proteins from Bacillus cereus, which we named bcPadR1 and bcPadR2 (products of gene loci BC4206 and BCE3449 in strains ATCC 14579 and ATCC 10987, respectively. BC4206, together with its neighboring gene BC4207, was previously shown to become significantly upregulated in presence of the bacteriocin AS-48. DNA mobility shift assays reveal that bcPadR1 binds to a 250 bp intergenic region containing the putative BC4206-BC4207 promoter sequence, while in-situ expression of bcPadR1 decreases bacteriocin tolerance, together suggesting a role for bcPadR1 as repressor of BC4206-BC4207 transcription. The function of bcPadR2 (48% identical in sequence to bcPadR1 is unknown, but the location of its gene just upstream from genes encoding a putative antibiotic ABC efflux pump, suggests a role in regulating antibiotic resistance. The bcPadR proteins are structurally similar to LmrR, a PadR-like transcription regulator in Lactococcus lactis that controls expression of a multidrug ABC transporter via a mechanism of multidrug binding and induction. Together these proteins define a subfamily of conserved, relatively small PadR proteins characterized by a single C-terminal helix for dimerization. Unlike LmrR, bcPadR1 and bcPadR2 lack a central pore for ligand binding, making it unclear whether the transcriptional regulatory roles of bcPadR1 and bcPadR2 involve direct ligand recognition and induction.

  14. Sustainable Corporate Social Media Marketing Based on Message Structural Features: Firm Size Plays a Significant Role as a Moderator

    Directory of Open Access Journals (Sweden)

    Moon Young Kang

    2018-04-01

    Full Text Available Social media has been receiving attention as a cost-effective tool to build corporate brand image and to enrich customer relationships. This phenomenon calls for more attention to developing a model that measures the impact of structural features, used in corporate social media messages. Based on communication science, this study proposes a model to measure the impact of three essential message structural features (interactivity, formality, and immediacy in corporate social media on customers’ purchase intentions, mediated by brand attitude and corporate trust. Especially, social media platforms are believed to provide a good marketing platform for small and medium enterprises (SMEs by providing access to huge audiences at a very low cost. The findings from this study based on a structural equation model suggest that brand attitude and corporate trust have larger impacts on purchase intention for SMEs than large firms. This implies that SMEs with little to no presence in the market should pay more attention to building corporate trust and brand attitude for their sustainable growth.

  15. Unique Structural and Nucleotide Exchange Features of the Rho1 GTPase of Entamoeba histolytica

    Energy Technology Data Exchange (ETDEWEB)

    Bosch, Dustin E.; Wittchen, Erika S.; Qiu, Connie; Burridge, Keith; Siderovski, David P. (UNC)

    2012-08-10

    The single-celled human parasite Entamoeba histolytica possesses a dynamic actin cytoskeleton vital for its intestinal and systemic pathogenicity. The E. histolytica genome encodes several Rho family GTPases known to regulate cytoskeletal dynamics. EhRho1, the first family member identified, was reported to be insensitive to the Rho GTPase-specific Clostridium botulinum C3 exoenzyme, raising the possibility that it may be a misclassified Ras family member. Here, we report the crystal structures of EhRho1 in both active and inactive states. EhRho1 is activated by a conserved switch mechanism, but diverges from mammalian Rho GTPases in lacking a signature Rho insert helix. EhRho1 engages a homolog of mDia, EhFormin1, suggesting a role in mediating serum-stimulated actin reorganization and microtubule formation during mitosis. EhRho1, but not a constitutively active mutant, interacts with a newly identified EhRhoGDI in a prenylation-dependent manner. Furthermore, constitutively active EhRho1 induces actin stress fiber formation in mammalian fibroblasts, thereby identifying it as a functional Rho family GTPase. EhRho1 exhibits a fast rate of nucleotide exchange relative to mammalian Rho GTPases due to a distinctive switch one isoleucine residue reminiscent of the constitutively active F28L mutation in human Cdc42, which for the latter protein, is sufficient for cellular transformation. Nonconserved, nucleotide-interacting residues within EhRho1, revealed by the crystal structure models, were observed to contribute a moderating influence on fast spontaneous nucleotide exchange. Collectively, these observations indicate that EhRho1 is a bona fide member of the Rho GTPase family, albeit with unique structural and functional aspects compared with mammalian Rho GTPases.

  16. Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins

    DEFF Research Database (Denmark)

    Nielsen, Maja Holch; Kidmose, Rune Thomas; Jenner, Lasse Bohl

    2016-01-01

    Saccharomyces cerevisiae TSA2 belongs to the family of typical 2-Cys peroxiredoxins, a ubiquitously expressed family of redox-active enzymes that utilize a conserved peroxidatic cysteine to reduce peroxides. Typical 2-Cys peroxiredoxins have been shown to be involved in protection against oxidati...... the reactivity and the sensitivity to hyperoxidation. Furthermore, the structure also explains the observed difference in the pKa values of the peroxidatic cysteines of S. cerevisiae TSA1 and TSA2 despite their very high sequence identity....

  17. Features of acoustic wave propagation in the Me/ZnO/Me/diamond waveguide structure.

    Science.gov (United States)

    Burkov, Sergey I; Zolotova, Olga P; Sorokin, Boris P; Turchin, Pavel P; Talismanov, Vladimir S

    2018-01-01

    The effect of mass loading on the phase velocities of the surface acoustic wave dispersion modes in the Me/ZnO/Me/diamond piezoelectric layered structure as a function of frequency, metallic, and piezoelectric layer thickness has been investigated. Aluminum, molybdenum, and platinum were considered as the metallic layer materials. It has been demonstrated that the change in the phase velocities substantially depends on the acoustic impedance of the metal layer and its thickness. Results obtained can be useful in the development of controlled acoustoelectronic devices and sensors operating on the Rayleigh and Love waves.

  18. Structural and Morphological Features of Acid-Bearing Polymers for PEM Fuel Cells

    DEFF Research Database (Denmark)

    Yang, Yunsong; Siu, Ana; Peckham, Timothy J.

    2008-01-01

    Chemical structure, polymer microstructure, sequence distribution, and morphology of acid-bearing polymers are important factors in the design of polymer electrolyte membranes (PEMs) for fuel cells. The roles of ion aggregation and phase separation in vinylic- and aromatic-based polymers in proton...... conductivity and water transport are described. The formation, dimensions, and connectivity of ionic pathways are consistently found to play an important role in determining the physicochemical properties of PEMs. For polymers that possess low water content, phase separation and ionic channel formation...... in the design of the next generation of PEMs....

  19. Аssociation of spectral closeness of flicker-noise parameters with features of underlying structure of system

    Directory of Open Access Journals (Sweden)

    Kolodiy Z. A.

    2009-02-01

    Full Text Available The results of computer design of chaotic motion of elementary particles are resulted in a flat rectangle which can be put in accordance to a pellicle resistor with the electrons of conductivity. The analysis of spectral closeness of chaotic motion shows that one of parameters of flicker-noise depends only on the amount of elementary particles and middle rate of their movement. The second parameter of flicker-noise (time of relaxation depends on the features of underlying structure of the system. It can be used for prognostication of reliability as separate elements of electronics so apparatus as a whole on the measured level of their flicker-noise.

  20. Structural features and thermal stability of shrimp 14-3-3ε

    Directory of Open Access Journals (Sweden)

    Chutintorn Chauywong

    2017-08-01

    Full Text Available In our previous study, we reported that the nucleotide sequence of a 14-3-3ε cDNA clone from Litopenaeus vannamei encodes two transcripts, designated as 14-3-3EL and 14-3-3ES. Based on the retained introns we observed in 14-3-3EL by alternative splicing, we aimed to investigate the genomic structure of this gene. The 14-3-3ε gene, encoded by 2,311 bp of DNA sequence, is interrupted by three introns of 48, 1,124 and 365 bp in size. In addition, using the SWISS-MODEL, the predicted 3D model of 14-3-3EL has twelve α-helices and two β-sheets, whereas 14-3-3ES has only eleven helices in its tertiary structure. Additionally, we generated the 14-3-3EL and 14-3-3ES proteins and measured their thermal stabilities. The results demonstrated that the quantity of the 14-3-3EL protein decreased significantly at all temperatures tested. In contrast, the quantity of the 14-3-3ES protein remained unchanged, suggesting that 143-3-3EL is less stable than 14-3-3ES.

  1. Structural features and oil-and-gas bearing of the Caribbean region

    Science.gov (United States)

    Zabanbark, A.; Lobkovsky, L. I.

    2017-09-01

    The structure of the Caribbean region testifies to the extremely unstable condition of the terrestrial crust of this intercontinental and simultaneously interoceanic area. In the recent geological epoch, the Caribbean region is represented by a series of structural elements, the main of which are the Venezuelan and Colombian deep-sea suboceanic depressions, the Nicaraguan Rise, and the Greater and Lesser Antilles bordering the Caribbean Sea in the north and east. There are 63 sedimentary basins in the entire Caribbean region. However, only the Venezuelan and Colombian basins, the Miskito Basin in Nicaragua, and the northern and eastern shelves of the Antilles, Paria Bay, Barbodos-Tobago, and Grenada basins are promising in terms of oil-and-gas bearig. In the Colombian Basin, the southwestern part, located in the rift zone of the Gulf of Uraba, is the most promising. In the Venezuelan Basin, possible oil-and-gas-bearing basins showing little promise are assumed to be in the northern and eastern margins. The main potential of the eastern Caribbean region is attributed to the southern margin, at the shelf zone of which are the Tokuyo-Bonaire, Tuy-Cariaco, Margarita, Paria Bay, Barbados-Tobago, and Grenada oil-and-gas-bearing basins. The rest of the deepwater depressions of the Caribbean Sea show little promise for hydrocarbon research due to the small thickness of the deposits, their flat bedding, and probably a lack of fluid seals.

  2. Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis.

    Directory of Open Access Journals (Sweden)

    Kuo-Hsiang Hsu

    Full Text Available With advances in the development and application of Ames mutagenicity in silico prediction tools, the International Conference on Harmonisation (ICH has amended its M7 guideline to reflect the use of such prediction models for the detection of mutagenic activity in early drug safety evaluation processes. Since current Ames mutagenicity prediction tools only focus on functional group alerts or side chain modifications of an analog series, these tools are unable to identify mutagenicity derived from core structures or specific scaffolds of a compound. In this study, a large collection of 6512 compounds are used to perform scaffold tree analysis. By relating different scaffolds on constructed scaffold trees with Ames mutagenicity, four major and one minor novel mutagenic groups of scaffold are identified. The recognized mutagenic groups of scaffold can serve as a guide for medicinal chemists to prevent the development of potentially mutagenic therapeutic agents in early drug design or development phases, by modifying the core structures of mutagenic compounds to form non-mutagenic compounds. In addition, five series of substructures are provided as recommendations, for direct modification of potentially mutagenic scaffolds to decrease associated mutagenic activities.

  3. Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis

    Science.gov (United States)

    Hsu, Kuo-Hsiang; Su, Bo-Han; Tu, Yi-Shu; Lin, Olivia A.; Tseng, Yufeng J.

    2016-01-01

    With advances in the development and application of Ames mutagenicity in silico prediction tools, the International Conference on Harmonisation (ICH) has amended its M7 guideline to reflect the use of such prediction models for the detection of mutagenic activity in early drug safety evaluation processes. Since current Ames mutagenicity prediction tools only focus on functional group alerts or side chain modifications of an analog series, these tools are unable to identify mutagenicity derived from core structures or specific scaffolds of a compound. In this study, a large collection of 6512 compounds are used to perform scaffold tree analysis. By relating different scaffolds on constructed scaffold trees with Ames mutagenicity, four major and one minor novel mutagenic groups of scaffold are identified. The recognized mutagenic groups of scaffold can serve as a guide for medicinal chemists to prevent the development of potentially mutagenic therapeutic agents in early drug design or development phases, by modifying the core structures of mutagenic compounds to form non-mutagenic compounds. In addition, five series of substructures are provided as recommendations, for direct modification of potentially mutagenic scaffolds to decrease associated mutagenic activities. PMID:26863515

  4. Role of water on formation and structural features of Maya blue

    Science.gov (United States)

    Mondelli, C.; Sánchez del Río, M.; González, M. A.; Magazzú, A.; Cavallari, C.; Suárez, M.; García-Romero, E.; Romano, P.

    2012-02-01

    The Maya blue (MB) is an artificial pigment created between 500-800 A.D. and used in murals, pottery and sculptures by Mayas and other people in Mesoamerica. MB is resistant to age, acid, weathering, biodegradation and even modern chemical solvents, but the chemical reasons behind the resistance to chemical aggressions are still under debate. Water plays a fundamental role in the interactions between indigo and clay. The dynamics of the clay's zeolitic and structural water molecules during the formation of MB, usually stabilized by moderate heating, has been monitored by means of neutron inelastic scattering. Neutron incoherent scattering in these samples is only due to the hydrogen atoms, so the signal is very sensitive to the amount of released water, providing detailed information on the dehydration process. A simultaneous analysis of the coherent elastic scattering and the incoherent scattering allows observing and quantifying how the structure of the clay is affected by dehydration. Here we show that a quite resistant pigment can be obtained at room temperature simply by dehydrating a palygorskite-indigo mixture employing only vacuum, without any thermal treatment.

  5. Thermal stability of the structural features in the superhydrophobic boehmite films on austenitic stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Xiaoxue [Department of Materials Science, Tampere University of Technology, P.O. Box 589, FI-33101 Tampere (Finland)], E-mail: xiaoxue.zhang@tut.fi; Honkanen, Mari [Department of Materials Science, Tampere University of Technology, P.O. Box 589, FI-33101 Tampere (Finland); Jaern, Mikael; Peltonen, Jouko [Department of Physical Chemistry, Abo Akademi University, Porthaninkatu 3-5, FI-20500 Turku (Finland); Pore, Viljami [Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 Helsinki (Finland); Levaenen, Erkki; Maentylae, Tapio [Department of Materials Science, Tampere University of Technology, P.O. Box 589, FI-33101 Tampere (Finland)

    2008-06-15

    Boehmite thin film with 50-100 nm surface flake structure has been synthesized on AISI 316 type austenitic stainless steel by immersing boehmite gel film into boiling water. When further coated with hydrolyzed (heptadecafluoro-1,1,2,2-tetrahydrodecyl) trimethoxysilane (FAS), the boehmite film becomes superhydrophobic with a contact angle for water of 152 deg. The superhydrophobic property results from both the nanoscale surface flake structure and the low surface energy of the FAS top layer. The topography of such film was revealed by atomic force microscope (AFM) and a set of roughness parameters of such film was discussed. The degradation of superhydrophobicity of the surface was studied as a function of the heat-treatment temperatures. Below 600 deg. C, the surface remained to be superhydrophobic with the FAS top layer. Above 700 deg. C, the surface was not superhydrophobic anymore due to a gradual loss in surface roughness which was revealed by field emission scanning electron microscope (FESEM). A phase change from boehmite to {gamma}-Al{sub 2}O{sub 3} occurred during the heat-treatments from 700 to 900 deg. C which was studied by the selected area electron diffraction (SAED) patterns from the transmission electron microscope (TEM) measurement.

  6. The sense of balance in humans: Structural features of otoconia and their response to linear acceleration.

    Directory of Open Access Journals (Sweden)

    Rüdiger Kniep

    Full Text Available We explored the functional role of individual otoconia within the otolith system of mammalians responsible for the detection of linear accelerations and head tilts in relation to the gravity vector. Details of the inner structure and the shape of intact human and artificial otoconia were studied using environmental scanning electron microscopy (ESEM, including decalcification by ethylenediaminetetraacetic acid (EDTA to discriminate local calcium carbonate density. Considerable differences between the rhombohedral faces of human and artificial otoconia already indicate that the inner architecture of otoconia is not consistent with the point group -3m. This is clearly confirmed by decalcified otoconia specimen which are characterized by a non-centrosymmetric volume distribution of the compact 3+3 branches. This structural evidence for asymmetric mass distribution was further supported by light microscopy in combination with a high speed camera showing the movement of single otoconia specimen (artificial specimen under gravitational influence within a viscous medium (artificial endolymph. Moreover, the response of otoconia to linear acceleration forces was investigated by particle dynamics simulations. Both, time-resolved microscopy and computer simulations of otoconia acceleration show that the dislocation of otoconia include significant rotational movement stemming from density asymmetry. Based on these findings, we suggest an otolith membrane expansion/stiffening mechanism for enhanced response to linear acceleration transmitted to the vestibular hair cells.

  7. Synthesis and structural features of resorcinol⿿formaldehyde resin chars containing nickel nanoparticles

    Science.gov (United States)

    Galaburda, M. V.; Bogatyrov, V. M.; Skubiszewska-ZiĿba, J.; Oranska, O. I.; Sternik, D.; Gun⿿ko, V. M.

    2016-01-01

    A series of meso- and microporous carbons containing magnetic Ni nanoparticles (Ni/C) with a variety of Ni loadings were synthesized by a simple one-pot procedure through carbonization of resorcinol⿿formaldehyde polymers containing various amounts of nickel(II) acetate. Such composite materials were characterized by N2 sorption, Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and Transmission electron microscope (TEM). The XRD patterns reveal peaks corresponding to face centered cubic nickel with the average size of crystallites of 17⿿18 nm. SEM and TEM results reveal that the formation of the nanoparticles took place mainly in the carbon spheres (1⿿2 μm in size) and on the outer surface as well. The as-prepared composites are characterized by a core⿿shell structure with well-crystallized graphitic shells about 8⿿15 nm in thickness. The Raman spectra show that Ni content influences the structure of the carbon. It was also shown that the morphology (particle shape and sizes) and porosity (pore volume and pore size distribution) of the chars are strongly dependent on water and nickel contents in the blends. One of the applications of Ni/C was demonstrated as a magnetically separable adsorbent.

  8. Distinct structural features of TFAM drive mitochondrial DNA packaging versus transcriptional activation.

    Science.gov (United States)

    Ngo, Huu B; Lovely, Geoffrey A; Phillips, Rob; Chan, David C

    2014-01-01

    TFAM (transcription factor A, mitochondrial) is a DNA-binding protein that activates transcription at the two major promoters of mitochondrial DNA (mtDNA)--the light strand promoter (LSP) and the heavy strand promoter 1 (HSP1). Equally important, it coats and packages the mitochondrial genome. TFAM has been shown to impose a U-turn on LSP DNA; however, whether this distortion is relevant at other sites is unknown. Here we present crystal structures of TFAM bound to HSP1 and to nonspecific DNA. In both, TFAM similarly distorts the DNA into a U-turn. Yet, TFAM binds to HSP1 in the opposite orientation from LSP explaining why transcription from LSP requires DNA bending, whereas transcription at HSP1 does not. Moreover, the crystal structures reveal dimerization of DNA-bound TFAM. This dimerization is dispensable for DNA bending and transcriptional activation but is important in DNA compaction. We propose that TFAM dimerization enhances mitochondrial DNA compaction by promoting looping of the DNA.

  9. Role of water on formation and structural features of Maya blue

    International Nuclear Information System (INIS)

    Mondelli, C; Río, M Sánchez del; González, M A; Magazzú, A; Cavallari, C; Suárez, M; García-Romero, E; Romano, P

    2012-01-01

    The Maya blue (MB) is an artificial pigment created between 500-800 A.D. and used in murals, pottery and sculptures by Mayas and other people in Mesoamerica. MB is resistant to age, acid, weathering, biodegradation and even modern chemical solvents, but the chemical reasons behind the resistance to chemical aggressions are still under debate. Water plays a fundamental role in the interactions between indigo and clay. The dynamics of the clay's zeolitic and structural water molecules during the formation of MB, usually stabilized by moderate heating, has been monitored by means of neutron inelastic scattering. Neutron incoherent scattering in these samples is only due to the hydrogen atoms, so the signal is very sensitive to the amount of released water, providing detailed information on the dehydration process. A simultaneous analysis of the coherent elastic scattering and the incoherent scattering allows observing and quantifying how the structure of the clay is affected by dehydration. Here we show that a quite resistant pigment can be obtained at room temperature simply by dehydrating a palygorskite-indigo mixture employing only vacuum, without any thermal treatment.

  10. Features structure of iron-bearing strata’s of the Bakchar deposit, Western Siberia

    Science.gov (United States)

    Asochakova, E. M.

    2017-12-01

    The ore-bearing strata’s of Bakchar deposit have complicated structural-textural heterogeneity and variable mineral composition. This deposit is one of the most promising areas of localization of sedimentary iron ore. The ore-bearing strata’s are composed mainly of sandstones (sometimes with ferruginous pebbles, less often conglomerates), siltstones and clays. The ironstones are classified according to their lithology and geochemistry into three types: goethite–hydrogoethitic oolitic, glauconite-chloritic and transitional (intermediate) type iron ores. The mineral composition includes many different minerals: terrigenous, authigenic and clayey. Ironstones are characterized by elevated concentrations of many rare and valuable metals present in them as trace elements, additionally alloying (Mn, V, Cr, Ti, Zr, Mo, etc.) and harmful impurities (S, As, Cu, Pb, Zn, P). There are prerequisites for the influence of numerous factors, such as prolonged transgression of the sea, swamping of paleo-river deltas, the appearance of a tectonic fracture zone associated with active bottom tectonics and unloading of catagenetic waters, regression and natural ore enrichment due to the re-washing of slightly-iron rocks. These factors are reflected in the structure of the ore-bearing strata in which rhythmic cycles of ore sedimentation with successive changes in them are distinguished by an association of different mineral composition.

  11. 14-Membered cyclic bis-semicarbazones: Stereoselective synthesis and structural features

    Science.gov (United States)

    Shutalev, Anatoly D.; Fesenko, Anastasia A.; Yankov, Alexander N.; Tafeenko, Victor A.; Chernyshev, Vladimir V.

    2017-12-01

    Stereoselectivity of acid-catalyzed cyclization of 4-(1-aryl-3-oxobutyl)semicarbazide hydrazones into mixtures of trans- and cis-isomers of 14-membered cyclic bis-semicarbazones has been studied. The isomer ratio is dependent on solvent, catalyst acidity, substrate structure and concentration, reaction temperature and time, catalyst loading. The experimental data show that the macrocyclization of acyclic precursors initially formed from two molecules of substrates proceeds with low diastereoselectivity to give mixtures of trans- and cis-macrocycles followed by slow transformation of cis-isomers into trans-isomers via ring opening by a retro-aza-Michael reaction resulting in high trans-selectivity. The driving force of this isomerization is shown to be a lower solubility of trans-isomers compared with cis-isomers. Some mechanistical aspects of the macrocycle formation were confirmed by calculations performed at the DFT B3LYP/6-311++G(d,p) level of theory. Molecular structure of the obtained hexaaza macrocycles was established using single crystal and powder X-ray diffraction, IR, UV-Vis, 1H and 13C NMR spectroscopy, and DFT calculations.

  12. Line-feature-based calibration method of structured light plane parameters for robot hand-eye system

    Science.gov (United States)

    Qi, Yuhan; Jing, Fengshui; Tan, Min

    2013-03-01

    For monocular-structured light vision measurement, it is essential to calibrate the structured light plane parameters in addition to the camera intrinsic parameters. A line-feature-based calibration method of structured light plane parameters for a robot hand-eye system is proposed. Structured light stripes are selected as calibrating primitive elements, and the robot moves from one calibrating position to another with constraint in order that two misaligned stripe lines are generated. The images of stripe lines could then be captured by the camera fixed at the robot's end link. During calibration, the equations of two stripe lines in the camera coordinate system are calculated, and then the structured light plane could be determined. As the robot's motion may affect the effectiveness of calibration, so the robot's motion constraints are analyzed. A calibration experiment and two vision measurement experiments are implemented, and the results reveal that the calibration accuracy can meet the precision requirement of robot thick plate welding. Finally, analysis and discussion are provided to illustrate that the method has a high efficiency fit for industrial in-situ calibration.

  13. Temperature and Magnetic Field Driven Modifications in the I-V Features of Gold-DNA-Gold Structure

    Directory of Open Access Journals (Sweden)

    Nadia Mahmoudi Khatir

    2014-10-01

    Full Text Available The fabrication of Metal-DNA-Metal (MDM structure-based high sensitivity sensors from DNA micro-and nanoarray strands is a key issue in their development. The tunable semiconducting response of DNA in the presence of external electromagnetic and thermal fields is a gift for molecular electronics. The impact of temperatures (25–55 °C and magnetic fields (0–1200 mT on the current-voltage (I-V features of Au-DNA-Au (GDG structures with an optimum gap of 10 μm is reported. The I-V characteristics acquired in the presence and absence of magnetic fields demonstrated the semiconducting diode nature of DNA in GDG structures with high temperature sensitivity. The saturation current in the absence of magnetic field was found to increase sharply with the increase of temperature up to 45 °C and decrease rapidly thereafter. This increase was attributed to the temperature-assisted conversion of double bonds into single bond in DNA structures. Furthermore, the potential barrier height and Richardson constant for all the structures increased steadily with the increase of external magnetic field irrespective of temperature variations. Our observation on magnetic field and temperature sensitivity of I-V response in GDG sandwiches may contribute towards the development of DNA-based magnetic sensors.

  14. Effect of several structural features in coal on its tendency to reduce

    Energy Technology Data Exchange (ETDEWEB)

    Grigor' eva, E.A.; Bakirova, E.V.; Lesnikova, E.B.; Larina, N.K.; Zharova, M.N.; Dzhalyabova, L.V.

    1981-07-01

    Relationship between the tendency of coal to be reduced and the nature and quantity of the ether and organo-mineral bonds in the structure of coals is studied. The purpose of the study was to determine the intensity of the reaction during coal hydrogenation. Sodium borhydrate was used as a reducing agent because of its selective action on carbonyl groups and because of the possibility of describing the nature of hydrolyzed bonds in coal which form carbonyl groups. By hydrolysis of hard and brown coals and subsequent selective reduction, the effect of various carbonyl groups and organo-mineral bonds formed as a result of the destruction of ether groupings and carbon to carbon cross linkages were demonstrated. (17 refs.) (In Russian)

  15. The bats (Chiroptera; Mammalia of Mordovia: specific structure and features of distribution

    Directory of Open Access Journals (Sweden)

    Oleg N. Artaev

    2016-05-01

    Full Text Available This article presents the specific structure and distribution of the bats made in the territory of the Republic of Mordovia (Central Russia from the first half of the 20th century to the present. Occurence, relative abundance and patterns of distribution are briefly assessed for rare species. On this base, recommendations for inclusion these bats in the regional Red Data Book are presented. .In Mordovia twelve species of bats have been observed. There are widespread and numerous species: Pipistrellus nathusii, Myotis daubentonii, M. dasycneme, Nyctalus noctula and Vespertilio murinus. Widespread but less numerous species are: Myotis brandtii and Plecotus auritus. Finally, rare species are: Myotis nattereri, Nyctalus lasiopterus, N. leisleri, Pipistrellus pygmaeus and P. kuhlii.

  16. Structural features of HNb3O8 nanosheets and their catalytic performance in toluene nitration

    Science.gov (United States)

    Zhou, Pan; Li, Qingjie; He, Jie; Li, Dewei; Li, Zhong

    2015-11-01

    HNb3O8 nanosheet aggregates ( e-HNb3O8) were prepared by exfoliation and aggregation of layered HNb3O8, which was obtained by protonation of KNb3O8. Especially, in this research, KNb3O8 was synthesized through a novel polymerized complex method (PC) from niobium oxalate. The as-prepared samples were characterized by SEM, HRTEM, XRD, LRS, NH3-TPD, and FT-IR methods. The toluene nitration was used to evaluate the acid catalytic performance of HNb3O8 and e-HNb3O8 samples. The catalytic activity in toluene nitration was related to the structure and acidity of the as-prepared samples. The results show that e-HNb3O8 has a higher specific surface area, stronger acidity and better para-selectivity than the precursor HNb3O8.

  17. Prediction of protein structural features by use of artificial neural networks

    DEFF Research Database (Denmark)

    Petersen, Bent

    like for example GenBank are increasing considerably in size and GenBank currently contains more than 132 million sequences. Similar the Protein Data Bank currently contains more than 71,000 experimentally determined structures of nucleic acids, proteins and nucleic acid/protein complexes...... and accuracy is an important factor, hence the developed tools are expected to return a result in a rapid and efficient manner. Our way of solving that problem was to pre calculate protein sequence data. Currently, more than 500,000 protein sequences are in the local cache. In relation to surface exposure......In the past decades we have seen an exponential growth of biological sequence data. The cost for DNA sequencing has dropped significantly since the announcement of the first sequenced genome and newly sequenced genomes are published almost every week. Publicly available genetic sequence databases...

  18. Features of highly structured equatorial plasma irregularities deduced from CHAMP observations

    DEFF Research Database (Denmark)

    Xiong, C.; Luhr, H.; Ma, S. Y.

    2012-01-01

    In this study five years of CHAMP (Challenging Mini-satellite Payload) fluxgate magnetometer (FGM) data is used to investigate the characteristics of Equatorial Plasma Bubbles (EPBs). We filtered the FGM data by using bandpasses with four different cut-off periods to get the EPBs with different...... maximum spatial scale sizes in the meridional plane ranging from 76-608 km. Associated with the EPB observations at about 400km, the typical altitude of CHAMP during the year 2000-2005, we also investigate the postsunset equatorial vertical plasma drift data from ROCSAT1 (Republic of China Satellite 1...... for different scale sizes with the global distribution of plasma vertical uplift, we have found that EPBs reaching higher altitudes are more structured than those which are sampled by CHAMP near the top side of the depleted fluxtube. Such a result is in accord with 3-D model simulations (Aveiro and Hysell, 2010...

  19. The Jiuxi basin, Hexi Corridor, NW China: foreland structural features and hydrocarbon potential

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Q.M. (JAPEX Geoscience Inst. Inc., Tokyo (Japan)); Coward, M.P. (Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Geology)

    1993-04-01

    The Jiuxi (Western Jiuquan) Basin, located in the west of the Hexi Corridor, NW China, is a foreland basin which has been active since the Early Jurassic. It was formed as a consequence of the progressive northwards migration of the North Qilian thrusts in response to sinistral shearing along the 2,000-km long Aerjin (Altun) Fault. Sedimentary deposits in the basin are controlled not only by foreland loading and thrusting, but also by the development of listric normal faults at high angles to the thrust belt. At the junctions of these two sets of faults, thick organic-rich sediments and reservoirs have accumulated. During the Tertiary and Quaternary, thrusts propagated along the foot-wall of the North Qilian Fault, truncating earlier-formed oil pools and source-rock layers and thereby causing great difficulties for petroleum exploration. A basin development model is proposed in this paper from an integrated study of sedimentary facies, drilling and seismic data, structural analyses and cross-section reconstructions. The average northwards movement in the frontal zone of the North Qilian Mountains since the Pliocene is estimated at about 8 mm/yr. Therefore, about one-half of the Jurassic-Cretaceous oil-bearing basin could be buried beneath the Laojunmiao and North Qilian Marginal Faults and is virtually untouched by drilling. Source rocks in the basin are black, lacustrine shales of Late Jurassic through Early Cretaceous ages, with a maximum thickness of up to 1.2 km in the Qingxi Depression. The generation of liquid hydrocarbons began in the Late Cretaceous or mid-Oligocene: seven stratigraphical reservoirs, ranging in age from Silurian to Miocene, are described - anticlinal, fault- and ''buriedhill'' structures are the most important traps. The petroleum potential of individual depressions is discussed, and suggestions for potential regional oil prospects are made. (author)

  20. Comparative structural and enzymatic studies on Salmonella typhimurium diaminopropionate ammonia lyase reveal its unique features.

    Science.gov (United States)

    Deka, G; Bisht, S; Savithri, H S; Murthy, M R N

    2018-05-01

    Cellular metabolism of amino acids is controlled by a large number of pyridoxal 5'-phosphate (PLP) dependent enzymes. Diaminopropionate ammonia lyase (DAPAL), a fold type II PLP-dependent enzyme, degrades both the D and L forms of diaminopropionic acid (DAP) to pyruvate and ammonia. Earlier studies on the Escherichia coli DAPAL (EcDAPAL) had suggested that a disulfide bond located close to the active site may be crucial for maintaining the geometry of the substrate entry channel and the active site. In order to obtain further insights into the catalytic properties of DAPAL, structural and functional studies on Salmonella typhimurium DAPAL (StDAPAL) were initiated. The three-dimensional X-ray crystal structure of StDAPAL was determined at 2.5 Å resolution. As expected, the polypeptide fold and dimeric organization of StDAPAL is similar to those of EcDAPAL. A phosphate group was located in the active site of StDAPAL and expulsion of this phosphate is probably essential to bring Asp125 to a conformation suitable for proton abstraction from the substrate (D-DAP). The unique disulfide bond of EcDAPAL was absent in StDAPAL, although the enzyme displayed comparable catalytic activity. Site directed mutagenesis of the cysteine residues involved in disulfide bond formation in EcDAPAL followed by functional and biophysical studies further confirmed that the disulfide bond is not necessary either for substrate binding or for catalysis. The activity of StDAPAL but not EcDAPAL was enhanced by monovalent cations suggesting subtle differences in the active site geometries of these two closely related enzymes. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

    International Nuclear Information System (INIS)

    Moumeni, Hayet; Nemamcha, Abderrafik; Alleg, Safia; Grenèche, Jean Marc

    2013-01-01

    Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B 1 = 35.0 T and B 2 = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field

  2. Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

    Energy Technology Data Exchange (ETDEWEB)

    Moumeni, Hayet, E-mail: hmoumeni@yahoo.fr [Laboratoire de Chimie Computationnelle et Nanostructures, Département des Sciences de la Matière, Faculté des Mathématiques et de l' Informatique et des Sciences de la Matière, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Nemamcha, Abderrafik [Laboratoire d' Analyses Industrielles et Génie des Matériaux, Faculté des Sciences et de la Technologie, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Alleg, Safia [Laboratoire de Magnétisme et de Spectroscopie des Solides, Département de Physique, Faculté des Sciences, Université de Annaba, B.P. 12, Annaba 23000 (Algeria); Grenèche, Jean Marc [Laboratoire de Physique de l' Etat Condensé, UMR CNRS 6087, Institut de Recherche en Ingénierie Moléculaire et Matériaux Fonctionnels IRIM2F, FR CNRS 2575, Université du Maine, 72085 Le Mans Cedex 9 (France)

    2013-02-15

    Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B{sub 1} = 35.0 T and B{sub 2} = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field.

  3. Structural features and activity of Brazzein and its mutants upon substitution of a surfaced exposed alanine.

    Science.gov (United States)

    Ghanavatian, Parisa; Khalifeh, Khosrow; Jafarian, Vahab

    2016-12-01

    Brazzein (Brz) is a member of sweet-tasting protein containing four disulfide bonds. It was reported as a compact and heat-resistant protein. Here, we have used site-directed mutagenesis and replaced a surface-exposed alanine with aspartic acid (A19D mutant), lysine (A19K mutant) and glycine (A19G mutant). Activity comparisons of wild-type (WT) and mutants using taste panel test procedure showed that A19G variant has the same activity as WT protein. However, introduction of a positive charge in A19K mutant led to significant increase in Brz's sweetness, while A19D has reduced sweetness compared to WT protein. Docking studies showed that mutation at position 19 results in slight chain mobility of protein at the binding surface and changing the patterns of interactions toward more effective binding of E9K variant in the concave surface of sweet taste receptor. Far-UV CD data spectra have a characteristic shape of beta structure for all variants, however different magnitudes of spectra suggest that beta-sheet structure in WT and A19G is more stable than that of A19D and A19K. Equilibrium unfolding studies with fluorescence spectroscopy and using urea and dithiothritol (DTT) as chemical denaturants indicates that A19G mutant gains more stability against urea denaturation; while conformational stability of A19D and A19K decreases when compared with WT and A19G variants. We concluded that the positive charge at the surface of protein is important factor responsible for the interaction of protein with the human sweet receptor and Ala 19 can be considered as a key region for investigating the mechanism of the interaction of Brz with corresponding receptor. Copyright © 2016 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  4. Temperature and high pressure effects on the structural features of catalytic nanocomposites oxides by Raman spectroscopy.

    Science.gov (United States)

    da Silva, Antonio N; Pinto, Raffael C F; Freire, Paulo T C; Junior, Jose Alves L; Oliveira, Alcineia C; Filho, Josué M

    2015-03-05

    Structural characterizations of nanostructured oxides were studied by X-ray diffraction (XRD), Raman and infrared spectroscopy. The oxides catalysts namely, SnO2, ZrO2, CeO2, MnOx, Al2O3 and TiO2 were prepared by a nanocasting route and the effect of the temperature and pressure on the stability of the solids was evaluated. Raman spectra showed that ZrO2 and TiO2 exhibited phase transitions at moderate temperatures whereas CeO2, SnO2 and MnOx had an effective creation of defects in their structures upon annealing at elevated temperatures. The results suggested also that the effect of the temperature on the particles growth is related to the type of oxide. In this regard, phase transition by up to 600°C accelerated the sintering of ZrO2 and CeO2 grains compared to TiO2, SnO2 and MnOx counterparts. Under hydrostatic pressures lower than 10GPa, rutile TiO2 and tetragonal ZrO2 exhibited pressure induced phase transition whereas CeO2 and SnO2 were stable at pressures close to 15GPa. The experiments revealed that the nanostructured SnO2 oxide exhibited stable performance at relatively high temperatures without phase transition or sintering, being suitable to be used as catalysts in the range of temperature and pressure studied. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Structural features of silver-doped phosphate glasses in zone of femtosecond laser-induced modification

    International Nuclear Information System (INIS)

    Vasileva, A.A.; Nazarov, I.A.; Olshin, P.K.; Povolotskiy, A.V.; Sokolov, I.A.; Manshina, A.A.

    2015-01-01

    Femtosecond (fs) laser writing of two-dimensional microstructures (waveguides) is demonstrated in bulk phosphate glasses doped with silver ions. Silver-content phosphate and silver-content niobium–phosphate glasses with high concentration of silver oxide 55 mol% were used as samples for fs laser writing. The chemical network structure of the synthesized samples is analyzed through Raman spectroscopy and was found to be strongly sensitive to Nb incorporation. It was found that the direct laser writing process enables not only reorganization of glass network, but also formation of color centers and silver nanoparticles that are revealed in appearance of luminescence signal and plasmon absorption. The process of NPs' formation is more efficient for Nb-phosphate glass, while color centers are preferably formed in phosphate glass. - Graphical abstract: Formation of silver NPs on the surface of 0.5Ag 2 O–0.4P 2 O 5 –0,1Nb 2 O 5 glass induced by CW laser irradiation. - Highlights: • The structure of 0.5Ag 2 O–0.1Nb 2 O 5 –0.4P 2 O 5 and 0.55Ag 2 O–0.45P 2 O 5 glasses was investigated by Raman spectroscopy. • Fs laser writing induces formation of silver NPs in investigated glasses. • Surface plasmon resonance in the absorption spectra confirms the formation of NP. • The possibility of CW laser induced formation of silver NPs on the surface of sample with niobium is shown

  6. Nitrogen fertilization strategies, morphogenetic and structural features in Brachiaria decumbens deferred for 95 days

    Directory of Open Access Journals (Sweden)

    Fábio Andrade Teixeira

    2014-02-01

    Full Text Available The aim this work was to evaluate the morphogenic and structural characteristics of Brachiaria decumbens pastures to determine the most suitable nitrogen fertilization strategies, for pastures deferred for a period of 95 days. Four strategies of fertilization at the beginning and end of the summer (0-0, 100- 0, 50-50, 0-100 kg ha-1 N were studied, respectively, with four replications. The strategy of 100 kg ha-1 N applied at the end of the summer (0-100, followed the parceling strategy at the beginning and end of the summer (50-50 favored higher rates of leaf appearance and lower values of phyllochron. Greater rate of leaf elongation was observed for 0-100 strategy, resulting in 40% increase compared to pastures that were not fertilized. However, there was no effect of fertilization strategies on stem elongation rate, registering an average of 0.28 cm.dia-1. There was a higher blade:stem ratio for the stratum A (40 cm above the soil in all treatments, observing higher blade:stem ratio for strategies 0-100 and 50-50, at this stratum. There was no effect for the total number of leaves and final leaf length. However, greater stem lengths were observed in pastures with 0-100 fertilizer strategy, followed by the 50-50 strategy. The strategy of applying 100 kg ha-1 at the end of summer, followed by the strategy of 50 kg ha-1 nitrogen divided at the beginning and end of summer, promote greater influence on the morphogenic and structural traits, in pastures deferred for 95 days.

  7. Anomalous transport in the crowded world of biological cells

    International Nuclear Information System (INIS)

    Höfling, Felix; Franosch, Thomas

    2013-01-01

    A ubiquitous observation in cell biology is that the diffusive motion of macromolecules and organelles is anomalous, and a description simply based on the conventional diffusion equation with diffusion constants measured in dilute solution fails. This is commonly attributed to macromolecular crowding in the interior of cells and in cellular membranes, summarizing their densely packed and heterogeneous structures. The most familiar phenomenon is a sublinear, power-law increase of the mean-square displacement (MSD) as a function of the lag time, but there are other manifestations like strongly reduced and time-dependent diffusion coefficients, persistent correlations in time, non-Gaussian distributions of spatial displacements, heterogeneous diffusion and a fraction of immobile particles. After a general introduction to the statistical description of slow, anomalous transport, we summarize some widely used theoretical models: Gaussian models like fractional Brownian motion and Langevin equations for visco-elastic media, the continuous-time random walk model, and the Lorentz model describing obstructed transport in a heterogeneous environment. Particular emphasis is put on the spatio-temporal properties of the transport in terms of two-point correlation functions, dynamic scaling behaviour, and how the models are distinguished by their propagators even if the MSDs are identical. Then, we review the theory underlying commonly applied experimental techniques in the presence of anomalous transport like single-particle tracking, fluorescence correlation spectroscopy (FCS) and fluorescence recovery after photobleaching (FRAP). We report on the large body of recent experimental evidence for anomalous transport in crowded biological media: in cyto- and nucleoplasm as well as in cellular membranes, complemented by in vitro experiments where a variety of model systems mimic physiological crowding conditions. Finally, computer simulations are discussed which play an important

  8. Anomalous transport in the crowded world of biological cells.

    Science.gov (United States)

    Höfling, Felix; Franosch, Thomas

    2013-04-01

    A ubiquitous observation in cell biology is that the diffusive motion of macromolecules and organelles is anomalous, and a description simply based on the conventional diffusion equation with diffusion constants measured in dilute solution fails. This is commonly attributed to macromolecular crowding in the interior of cells and in cellular membranes, summarizing their densely packed and heterogeneous structures. The most familiar phenomenon is a sublinear, power-law increase of the mean-square displacement (MSD) as a function of the lag time, but there are other manifestations like strongly reduced and time-dependent diffusion coefficients, persistent correlations in time, non-Gaussian distributions of spatial displacements, heterogeneous diffusion and a fraction of immobile particles. After a general introduction to the statistical description of slow, anomalous transport, we summarize some widely used theoretical models: Gaussian models like fractional Brownian motion and Langevin equations for visco-elastic media, the continuous-time random walk model, and the Lorentz model describing obstructed transport in a heterogeneous environment. Particular emphasis is put on the spatio-temporal properties of the transport in terms of two-point correlation functions, dynamic scaling behaviour, and how the models are distinguished by their propagators even if the MSDs are identical. Then, we review the theory underlying commonly applied experimental techniques in the presence of anomalous transport like single-particle tracking, fluorescence correlation spectroscopy (FCS) and fluorescence recovery after photobleaching (FRAP). We report on the large body of recent experimental evidence for anomalous transport in crowded biological media: in cyto- and nucleoplasm as well as in cellular membranes, complemented by in vitro experiments where a variety of model systems mimic physiological crowding conditions. Finally, computer simulations are discussed which play an important

  9. Structural, thermal and optical absorption features of heavy metal oxides doped tellurite rich glasses

    Directory of Open Access Journals (Sweden)

    Kawa M. Kaky

    Full Text Available In order to improve tellurite glass stability to be applicable for optical fiber amplifier applications, glasses with the composition of (70 − xTeO2. (10ZnO. (10WO3. (5Na2O. (5TiO2. (xBi2O3 (x = 1, 2, 3, 4, and 5 mol% have been produced and characterized using the related methods. Structural properties were investigated using X-ray diffraction (XRD which confirms the non-crystalline structure and scanning electron microscopy (SEM micrographs also confirm the XRD results. The energy dispersive X-ray (EDX analysis profiles show that all the mentioned elements are present in the prepared glasses. Following the IR spectra, all the tellurium bonds such as stretching vibrations of TeO4 tbp and TeO3/TeO3+1 unit are revealed. Raman spectra confirm the presence of different functional groups, actually, it shows bands mainly in four spectral regions: R1 (65–150 cm−1, R2 (280–550 cm−1, R3 (880–950 cm−1 and R4 (916–926 cm−1 and the identified bands are assigned to respective molecular groups. The thermal study was carried out using Differential scanning calorimetry (DSC which indicates good thermal stability of the synthesized glasses with increasing Bi concentration. From the optical absorption spectra, we evaluated cut-off edge wavelengths and found increasing cutoff wavelength with an increase in Bi2O3 concentration. In the UV–Visible region, optical band gap energy and allowed transitions were investigated using three methods; direct, indirect, and absorption spectrum fitting (ASF, and band gaps from indirect and ASF were matched. Keywords: Tellurite glasses, XRD, FT-IR, Raman, TGA/DSC

  10. Determination of transition metal ion distribution in cubic spinel Co1.5Fe1.5O4 using anomalous x-ray diffraction

    Directory of Open Access Journals (Sweden)

    M. N. Singh

    2015-08-01

    Full Text Available We report anomalous x-ray diffraction studies on Co ferrite with composition Co1.5Fe1.5O4 to obtain the distribution of transition metal ions in tetrahedral and octahedral sites. We synthesize spinel oxide (Co1.5Fe1.5O4 through co-precipitation and subsequent annealing route. The imaginary part (absorption of the energy dependent anomalous form factor is measured and the real part is calculated theoretically through Kramers–Krönig transformation to analyze anomalous x-ray diffraction peak intensities. Fe and Co K-edge x-ray absorption near edge structure (XANES spectra are used to estimate charge states of transition metals. Our analysis, within experimental errors, suggests 44% of the tetrahedral sites contain Co in +2 oxidation state and the rest 56% sites contain Fe in +2 and +3 oxidation states. Similarly, 47% of the octahedral sites contain Fe in +3 oxidation states, whereas, the rest of the sites contain Co in +2 and +3 oxidation states. While a distinct pre-edge feature in the Fe K-edge XANES is observed, Co pre-edge remains featureless. Implications of these results to magnetism are briefly discussed.

  11. Feature engineering combined with machine learning and rule-based methods for structured information extraction from narrative clinical discharge summaries.

    Science.gov (United States)

    Xu, Yan; Hong, Kai; Tsujii, Junichi; Chang, Eric I-Chao

    2012-01-01

    A system that translates narrative text in the medical domain into structured representation is in great demand. The system performs three sub-tasks: concept extraction, assertion classification, and relation identification. The overall system consists of five steps: (1) pre-processing sentences, (2) marking noun phrases (NPs) and adjective phrases (APs), (3) extracting concepts that use a dosage-unit dictionary to dynamically switch two models based on Conditional Random Fields (CRF), (4) classifying assertions based on voting of five classifiers, and (5) identifying relations using normalized sentences with a set of effective discriminating features. Macro-averaged and micro-averaged precision, recall and F-measure were used to evaluate results. The performance is competitive with the state-of-the-art systems with micro-averaged F-measure of 0.8489 for concept extraction, 0.9392 for assertion classification and 0.7326 for relation identification. The system exploits an array of common features and achieves state-of-the-art performance. Prudent feature engineering sets the foundation of our systems. In concept extraction, we demonstrated that switching models, one of which is especially designed for telegraphic sentences, improved extraction of the treatment concept significantly. In assertion classification, a set of features derived from a rule-based classifier were proven to be effective for the classes such as conditional and possible. These classes would suffer from data scarcity in conventional machine-learning methods. In relation identification, we use two-staged architecture, the second of which applies pairwise classifiers to possible candidate classes. This architecture significantly improves performance.

  12. Phase relations and structural features in the system Ni-Zn-B

    Energy Technology Data Exchange (ETDEWEB)

    Malik, Z.; Grytsiv, A. [Department of Physical Chemistry, University of Vienna, Waehringerstrasse 42, A-1090 Vienna (Austria); Rogl, P., E-mail: peter.franz.rogl@univie.ac.at [Department of Physical Chemistry, University of Vienna, Waehringerstrasse 42, A-1090 Vienna (Austria); Giester, G. [Institute of Mineralogy and Crystallography, University of Vienna, Althanstrasse 14, A-1090 Vienna (Austria); Bursik, J. [Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Zizkova 22, 61662 Brno (Czech Republic)

    2013-02-15

    Phase relations for the system Ni-Zn-B have been established in the isothermal section at 800 Degree-Sign C based on X-ray powder diffraction and electron microprobe analyses of about 60 samples, which have been prepared by hot pressing of pre-annealed powder compacts of arc-melted master alloys Ni{sub x}B{sub y} and Zn-filings. Six ternary compounds (labeled {tau}{sub 1} to {tau}{sub 6}) were found to exist, which in some cases exhibit considerable mutual solid solubilities mostly as an exchange of Ni-Zn at constant B-content, but in the case of the so-called {tau}-phase {tau}{sub 1}-(Ni{sub 1-x}Zn{sub x}){sub 21}[Zn{sub 1-y-z}{open_square}{sub y}(B{sub 4}){sub z}]{sub 2}B{sub 6} (0.07{<=}x{<=}0.11, 0.07{<=}y{<=}0.53, 0{<=}z{<=}0.3) also with Zn/B substitution. Single crystal X-ray data analysis for the composition x=0.07, y=0.125, z=0.30, and a=1.05800(3) nm confirmed the Cr{sub 23}C{sub 6} type with space group Fm3{sup Macron }m, but revealed partial replacement of Zn-atoms by B{sub 4}-tetrahedra (R{sub F}=0.014). Whereas Ni/Zn exchange (at constant B-content) ranges at about 4-5 at% for {tau}{sub 4}-Ni{sub 3}ZnB{sub 2} and {tau}{sub 5}-Ni{sub 48}Zn{sub 32}B{sub 20}, it is below 3 at% for {tau}{sub 2}-Ni{sub 12}ZnB{sub 8-x} (x=0.43), {tau}{sub 3}-Ni{sub 21}Zn{sub 2}B{sub 20} and {tau}{sub 6}-Ni{sub 47}Zn{sub 23}B{sub 30}. The crystal structures of {tau}{sub 2}-Ni{sub 12}ZnB{sub 8-x} (x=0.43; Ni{sub 12}AlB{sub 8} type), {tau}{sub 3}-Ni{sub 21}Zn{sub 2}B{sub 20} (own type) and {tau}{sub 4}-Ni{sub 3}ZnB{sub 2} (own type) have been determined in our foregoing paper [8]. Due to the non-availability of suitable single crystals, the crystal structures of {tau}{sub 5}-Ni{sub 48}Zn{sub 32}B{sub 20} (body-centered orthorhombic; a=1.6(2) nm, b=0.63(7) nm, and c=0.27(0) nm, determined from TEM) and of {tau}{sub 6}-Ni{sub 47}Zn{sub 23}B{sub 30} have not been elucidated yet. Phase equilibria at 800 Degree-Sign C are dominated by a large three-phase field ({beta}B)+Ni{sub 2}Zn

  13. Inherent structure features of beryllium and their influence on the performance polycrystalline metal under different conditions

    Energy Technology Data Exchange (ETDEWEB)

    Khomutov, A.M.; Mikhailov, V.S.; Pronin, V.N.; Pakhomov, Ya.D. [State Scientific Center of Russian Federation `A.A. Bochvar All-Russia Research Inst. of Inorganic Materials (VNIINM)`, Moscow (Russian Federation)

    1998-01-01

    The anisotropy of physical properties of beryllium single crystals resulting from covalent bonds in crystal lattice leads to significant residual thermal microstresses (RTM) in the polycrystalline metal. It is demonstrated experimentally that there is a simple linear dependence between the magnitude of RTM and the ultimate tensile strength. The factors controlling RTM are analysed and in the framework of powder metallurgy process the technological methods of producing beryllium with the needed properties are recommended. Primarily it is necessary to control the quantity and extent of dispersity of intergranular oxide inclusions and mean grain size in combination with the high degree of macro- and microhomogenity of the structure. The requirements to beryllium microstructure for different operating conditions including neutron fluxes and transient temperature fields are formulated. In the framework of the concept under development one can explain formerly not fully understandable effects, which are characteristic of polycrystalline beryllium such as unexpected Petch-Stro curve, the role of twinning etc., and predict new ones. In particular, it can be possible to expect the growth of ductility of high strength beryllium grades as neutron irradiated. (author)

  14. New 1,3,4-thiadiazole compounds including pyrazine moiety: Synthesis, structural properties and antimicrobial features

    Science.gov (United States)

    Gür, Mahmut; Şener, Nesrin; Muğlu, Halit; Çavuş, M. Serdar; Özkan, Osman Emre; Kandemirli, Fatma; Şener, İzzet

    2017-07-01

    In the study, some new 1,3,4-thiadiazole compounds were synthesized and we have reported identification of the structures by using UV-Vis, FT-IR, 1H NMR, 13C NMR and Mass spectroscopic methods. Antimicrobial activities of the compounds against three microorganisms, namely, Candida albicans ATCC 26555, Staphylococcus aureus ATCC 9144, and Escherichia coli ATCC 25922 were investigated by using disk diffusion method. These thiadiazoles exhibited an antimicrobial activity against Staphylococcus aureus and Candida albicans. The experimental data was supported by the quantum chemical calculations. Density functional theory (DFT) calculations were carried out to obtain the ground state optimized geometries of the molecules using the B3LYP, M06 and PBE1PBE methods with 3-21 g, 4-31 g, 6-311++g(2d,2p), cc-pvtz and cc-pvqz basis sets in the different combinations. Frontier molecular orbitals (FMOs) energies, band gap energies and some chemical reactivity parameters were calculated by using the aforementioned methods and basis sets, and the results were also compared with the experimental UV-Vis data.

  15. Direct Fibrinolytic Snake Venom Metalloproteinases Affecting Hemostasis: Structural, Biochemical Features and Therapeutic Potential.

    Science.gov (United States)

    Sanchez, Eladio F; Flores-Ortiz, Renzo J; Alvarenga, Valeria G; Eble, Johannes A

    2017-12-05

    Snake venom metalloproteinases (SVMPs) are predominant in viperid venoms, which provoke hemorrhage and affect hemostasis and thrombosis. P-I class enzymes consist only of a single metalloproteinase domain. Despite sharing high sequence homology, only some of them induce hemorrhage. They have direct fibrin(ogen)olytic activity. Their main biological substrate is fibrin(ogen), whose Aα-chain is degraded rapidly and independently of activation of plasminogen. It is important to understand their biochemical and physiological mechanisms, as well as their applications, to study the etiology of some human diseases and to identify sites of potential intervention. As compared to all current antiplatelet therapies to treat cardiovascular events, the SVMPs have outstanding biochemical attributes: (a) they are insensitive to plasma serine proteinase inhibitors; (b) they have the potential to avoid bleeding risk; (c) mechanistically, they are inactivated/cleared by α2-macroglobulin that limits their range of action in circulation; and (d) few of them also impair platelet aggregation that represent an important target for therapeutic intervention. This review will briefly highlight the structure-function relationships of these few direct-acting fibrinolytic agents, including, barnettlysin-I, isolated from Bothrops barnetti venom, that could be considered as potential agent to treat major thrombotic disorders. Some of their pharmacological advantages are compared with plasmin.

  16. Inverse Bayesian inference as a key of consciousness featuring a macroscopic quantum logical structure.

    Science.gov (United States)

    Gunji, Yukio-Pegio; Shinohara, Shuji; Haruna, Taichi; Basios, Vasileios

    2017-02-01

    To overcome the dualism between mind and matter and to implement consciousness in science, a physical entity has to be embedded with a measurement process. Although quantum mechanics have been regarded as a candidate for implementing consciousness, nature at its macroscopic level is inconsistent with quantum mechanics. We propose a measurement-oriented inference system comprising Bayesian and inverse Bayesian inferences. While Bayesian inference contracts probability space, the newly defined inverse one relaxes the space. These two inferences allow an agent to make a decision corresponding to an immediate change in their environment. They generate a particular pattern of joint probability for data and hypotheses, comprising multiple diagonal and noisy matrices. This is expressed as a nondistributive orthomodular lattice equivalent to quantum logic. We also show that an orthomodular lattice can reveal information generated by inverse syllogism as well as the solutions to the frame and symbol-grounding problems. Our model is the first to connect macroscopic cognitive processes with the mathematical structure of quantum mechanics with no additional assumptions. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  17. Air-structure coupling features analysis of mining contra-rotating axial flow fan cascade

    Science.gov (United States)

    Chen, Q. G.; Sun, W.; Li, F.; Zhang, Y. J.

    2013-12-01

    The interaction between contra-rotating axial flow fan blade and working gas has been studied by means of establishing air-structure coupling control equation and combining Computational Fluid Dynamics (CFD) and Computational solid mechanics (CSM). Based on the single flow channel model, the Finite Volume Method was used to make the field discrete. Additionally, the SIMPLE algorithm, the Standard k-ε model and the Arbitrary Lagrangian-Eulerian dynamic grids technology were utilized to get the airflow motion by solving the discrete governing equations. At the same time, the Finite Element Method was used to make the field discrete to solve dynamic response characteristics of blade. Based on weak coupling method, data exchange from the fluid solver and the solid solver was processed on the coupling interface. Then interpolation was used to obtain the coupling characteristics. The results showed that the blade's maximum amplitude was on the tip of the last-stage blade and aerodynamic force signal could reflect the blade working conditions to some extent. By analyzing the flow regime in contra-rotating axial flow fan, it could be found that the vortex core region was mainly in the blade surface, the hub and the blade clearance. In those regions, the turbulence intensity was very high. The last-stage blade's operating life is shorter than that of the pre-stage blade due to the fatigue fracture occurs much more easily on the last-stage blade which bears more stress.

  18. Immunological Features of the Non-Structural Proteins of Porcine Reproductive and Respiratory Syndrome Virus

    Directory of Open Access Journals (Sweden)

    Edgar Rascón-Castelo

    2015-02-01

    Full Text Available Porcine reproductive and respiratory syndrome virus (PRRSV is currently one of the most important viruses affecting the swine industry worldwide. Despite the large number of papers published each year, the participation of non-structural proteins (nsps in the immune response is not completely clear. nsps have been involved in the host innate immune response, specifically, nsp1α/β, nsp2, nsp4 and nsp11 have been associated with the immunomodulation capability of the virus. To date, only participation by nsp1, nsp2, nsp4 and nsp7 in the humoral immune response has been reported, with the role of other nsps being overlooked. Furthermore, nsp1, nsp2, nsp5, nsp7 nsp9, nsp10, nsp11 have been implicated in the induction of IFN-γ and probably in the development of the cell-mediated immune response. This review discusses recent reports involving the participation of nsps in the modulation of the innate immune response and their role in the induction of both the humoral and cellular immune responses.

  19. Nonclinical and Clinical Enterococcus faecium Strains, but Not Enterococcus faecalis Strains, Have Distinct Structural and Functional Genomic Features

    Science.gov (United States)

    Kim, Eun Bae

    2014-01-01

    Certain strains of Enterococcus faecium and Enterococcus faecalis contribute beneficially to animal health and food production, while others are associated with nosocomial infections. To determine whether there are structural and functional genomic features that are distinct between nonclinical (NC) and clinical (CL) strains of those species, we analyzed the genomes of 31 E. faecium and 38 E. faecalis strains. Hierarchical clustering of 7,017 orthologs found in the E. faecium pangenome revealed that NC strains clustered into two clades and are distinct from CL strains. NC E. faecium genomes are significantly smaller than CL genomes, and this difference was partly explained by significantly fewer mobile genetic elements (ME), virulence factors (VF), and antibiotic resistance (AR) genes. E. faecium ortholog comparisons identified 68 and 153 genes that are enriched for NC and CL strains, respectively. Proximity analysis showed that CL-enriched loci, and not NC-enriched loci, are more frequently colocalized on the genome with ME. In CL genomes, AR genes are also colocalized with ME, and VF are more frequently associated with CL-enriched loci. Genes in 23 functional groups are also differentially enriched between NC and CL E. faecium genomes. In contrast, differences were not observed between NC and CL E. faecalis genomes despite their having larger genomes than E. faecium. Our findings show that unlike E. faecalis, NC and CL E. faecium strains are equipped with distinct structural and functional genomic features indicative of adaptation to different environments. PMID:24141120

  20. In Silico Analysis of the Structural and Biochemical Features of the NMD Factor UPF1 in Ustilago maydis.

    Directory of Open Access Journals (Sweden)

    Nancy Martínez-Montiel

    Full Text Available The molecular mechanisms regulating the accuracy of gene expression are still not fully understood. Among these mechanisms, Nonsense-mediated Decay (NMD is a quality control process that detects post-transcriptionally abnormal transcripts and leads them to degradation. The UPF1 protein lays at the heart of NMD as shown by several structural and functional features reported for this factor mainly for Homo sapiens and Saccharomyces cerevisiae. This process is highly conserved in eukaryotes but functional diversity can be observed in various species. Ustilago maydis is a basidiomycete and the best-known smut, which has become a model to study molecular and cellular eukaryotic mechanisms. In this study, we performed in silico analysis to investigate the structural and biochemical properties of the putative UPF1 homolog in Ustilago maydis. The putative homolog for UPF1 was recognized in the annotated genome for the basidiomycete, exhibiting 66% identity with its human counterpart at the protein level. The known structural and functional domains characteristic of UPF1 homologs were also found. Based on the crystal structures available for UPF1, we constructed different three-dimensional models for umUPF1 in order to analyze the secondary and tertiary structural features of this factor. Using these models, we studied the spatial arrangement of umUPF1 and its capability to interact with UPF2. Moreover, we identified the critical amino acids that mediate the interaction of umUPF1 with UPF2, ATP, RNA and with UPF1 itself. Mutating these amino acids in silico showed an important effect over the native structure. Finally, we performed molecular dynamic simulations for UPF1 proteins from H. sapiens and U. maydis and the results obtained show a similar behavior and physicochemical properties for the protein in both organisms. Overall, our results indicate that the putative UPF1 identified in U. maydis shows a very similar sequence, structural organization

  1. A Retrieval of Tropical Latent Heating Using the 3D Structure of Precipitation Features

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Fiaz; Schumacher, Courtney; Feng, Zhe; Hagos, Samson

    2016-09-01

    Traditionally, radar-based latent heating retrievals use rainfall to estimate the total column-integrated latent heating and then distribute that heating in the vertical using a model-based look-up table (LUT). In this study, we develop a new method that uses size characteristics of radar-observed precipitating echo (i.e., area and mean echo-top height) to estimate the vertical structure of latent heating. This technique (named the Convective-Stratiform Area [CSA] algorithm) builds on the fact that the shape and magnitude of latent heating profiles are dependent on the organization of convective systems and aims to avoid some of the pitfalls involved in retrieving accurate rainfall amounts and microphysical information from radars and models. The CSA LUTs are based on a high-resolution Weather Research and Forecasting model (WRF) simulation whose domain spans much of the near-equatorial Indian Ocean. When applied to S-PolKa radar observations collected during the DYNAMO/CINDY2011/AMIE field campaign, the CSA retrieval compares well to heating profiles from a sounding-based budget analysis and improves upon a simple rain-based latent heating retrieval. The CSA LUTs also highlight the fact that convective latent heating increases in magnitude and height as cluster area and echo-top heights grow, with a notable congestus signature of cooling at mid levels. Stratiform latent heating is less dependent on echo-top height, but is strongly linked to area. Unrealistic latent heating profiles in the stratiform LUT, viz., a low-level heating spike, an elevated melting layer, and net column cooling were identified and corrected for. These issues highlight the need for improvement in model parameterizations, particularly in linking microphysical phase changes to larger mesoscale processes.

  2. Multi-modal, Multi-measure, and Multi-class Discrimination of ADHD with Hierarchical Feature Extraction and Extreme Learning Machine Using Structural and Functional Brain MRI.

    Science.gov (United States)

    Qureshi, Muhammad Naveed Iqbal; Oh, Jooyoung; Min, Beomjun; Jo, Hang Joon; Lee, Boreom

    2017-01-01

    Structural and functional MRI unveil many hidden properties of the human brain. We performed this multi-class classification study on selected subjects from the publically available attention deficit hyperactivity disorder ADHD-200 dataset of patients and healthy children. The dataset has three groups, namely, ADHD inattentive, ADHD combined, and typically developing. We calculated the global averaged functional connectivity maps across the whole cortex to extract anatomical atlas parcellation based features from the resting-state fMRI (rs-fMRI) data and cortical parcellation based features from the structural MRI (sMRI) data. In addition, the preprocessed image volumes from both of these modalities followed an ANOVA analysis separately using all the voxels. This study utilized the average measure from the most significant regions acquired from ANOVA as features for classification in addition to the multi-modal and multi-measure features of structural and functional MRI data. We extracted most discriminative features by hierarchical sparse feature elimination and selection algorithm. These features include cortical thickness, image intensity, volume, cortical thickness standard deviation, surface area, and ANOVA based features respectively. An extreme learning machine performed both the binary and multi-class classifications in comparison with support vector machines. This article reports prediction accuracy of both unimodal and multi-modal features from test data. We achieved 76.190% ( p features may improve the accuracy of the ADHD differential diagnosis.

  3. Streamlined Modeling for Characterizing Spacecraft Anomalous Behavior

    Science.gov (United States)

    Klem, B.; Swann, D.

    2011-09-01

    Anomalous behavior of on-orbit spacecraft can often be detected using passive, remote sensors which measure electro-optical signatures that vary in time and spectral content. Analysts responsible for assessing spacecraft operational status and detecting detrimental anomalies using non-resolved imaging sensors are often presented with various sensing and identification issues. Modeling and measuring spacecraft self emission and reflected radiant intensity when the radiation patterns exhibit a time varying reflective glint superimposed on an underlying diffuse signal contribute to assessment of spacecraft behavior in two ways: (1) providing information on body component orientation and attitude; and, (2) detecting changes in surface material properties due to the space environment. Simple convex and cube-shaped spacecraft, designed to operate without protruding solar panel appendages, may require an enhanced level of preflight characterization to support interpretation of the various physical effects observed during on-orbit monitoring. This paper describes selected portions of the signature database generated using streamlined signature modeling and simulations of basic geometry shapes apparent to non-imaging sensors. With this database, summarization of key observable features for such shapes as spheres, cylinders, flat plates, cones, and cubes in specific spectral bands that include the visible, mid wave, and long wave infrared provide the analyst with input to the decision process algorithms contained in the overall sensing and identification architectures. The models typically utilize baseline materials such as Kapton, paints, aluminum surface end plates, and radiators, along with solar cell representations covering the cylindrical and side portions of the spacecraft. Multiple space and ground-based sensors are assumed to be located at key locations to describe the comprehensive multi-viewing aspect scenarios that can result in significant specular reflection

  4. Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.

    Science.gov (United States)

    Ulaganathan, ThirumalaiSelvi; Helbert, William; Kopel, Moran; Banin, Ehud; Cygler, Miroslaw

    2018-01-30

    Ulvan is a major cell wall component of green algae of the genus Ulva and some marine bacteria encode enzymes that can degrade this polysaccharide. The first ulvan degrading lyases have been recently characterized and several putative ulvan lyases have been recombinantly expressed, confirmed as ulvan lyases and partially characterized. Two families of ulvan degrading lyases, PL24 and PL25, have recently been established. The PL24 lyase LOR_107 from the bacterial Alteromonadales sp. strain LOR degrades ulvan endolytically, cleaving the bond at the C4 of a glucuronic acid. However, the mechanism and LOR_107 structural features involved are unknown. We present here the crystal structure of LOR_107, representing the first PL24 family structure. We found that LOR_107 adopts a seven-bladed β-propeller fold with a deep canyon on one side of the protein. Comparative sequence analysis revealed a cluster of conserved residues within this canyon, and site-directed mutagenesis disclosed several residues essential for catalysis. We also found that LOR_107 uses the His/Tyr catalytic mechanism, common to several PL families. We captured a tetrasaccharide substrate in the structures of two inactive mutants, which indicated a two-step binding event, with the first substrate interaction near the top of the canyon coordinated by Arg-320, followed by sliding of the substrate into the canyon toward the active-site residues. Surprisingly, the LOR_107 structure was very similar to that of PL25 family PLSV_3936, despite only ~14% sequence identity between the two enzymes. On the basis of our structural and mutational analyses, we propose a catalytic mechanism for LOR_107 that differs from the typical His/Tyr mechanism. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

  5. Local orbitals approach to the anomalous Hall and Nernst effects in itinerant ferromagnets

    Directory of Open Access Journals (Sweden)

    Středa Pavel

    2014-07-01

    Full Text Available Linear response of the orbital momentum to the gradient of the chemical potential is used to obtain anomalous Hall conductivity. Transition from the ideal Bloch system for which the conductivity is determined by the Berry phase curvatures to the case of strong disorder for which the conductivity becomes dependent on the relaxation time is analysed. Presented tight-binding model reproduces experimentally observed qualitative features of the anomalous Hall conductivity and the transverse Peltier coefficient in the so called bad-metal and scattering-independent regimes.

  6. Magnetic turbulence and anomalous transport

    International Nuclear Information System (INIS)

    Garbet, X.; Mourgues, F.; Samain, A.

    1990-01-01

    The self consistency conditions for magnetic turbulence are reviewed. The main features of magnetic topology involving stochastic flux lines are summarized. Two driving sources are considered: thermal effects which require large scale residual islands and electron diamagnetism which involves fluctuation scales smaller than the ion Larmor radius and a β p threshold of order one. Stability criteria and transport coefficients are given

  7. Features of West Hackberry SPR Caverns and Internal Structure Of the Salt Dome

    Energy Technology Data Exchange (ETDEWEB)

    Munson, Darrell Eugene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Underground Storage Technology Dept.

    2006-09-01

    The intent of this report is to examine the internal structure of the West Hackberry salt dome utilizing the information from the geometric configuration of the internal cavern surfaces obtained from graphical representations of sonar survey data. In a general sense, the caverns of West Hackberry are remarkable in the symmetry of their shapes. There are only rather moderate deviations from what would be considered an ideal cylindrical solution mining geometry in these caverns. This finding is in marked contrast to the directional solutioning found in the elliptical cross sectioned, sometimes winged, caverns of Big Hill. None of the persistent lineaments prevalent in Big Hill caverns are evident in West Hackberry caverns. Irregularities of the West Hackberry caverns are restricted to preferential solution formed pits and protuberances with moderate dimensions. In fact, the principal characteristic of West Hackberry caverns is the often large sections of smooth and cylindrical cavern wall. Differences in the cavern characteristics between West Hackberry and Big Hill suggest that the former dome is quite homogeneous, while the latter still retains strong remnants of the interbeds of the original bedded Louann salt. One possible explanation is that the source of the two domes, while both from the Louann mother salt, differs. While the source of the Big Hill dome is directly from the mother salt bed, it appears that the West Hackberry arises from a laterally extruded sill of the mother salt. Consequently, the amount of deformation, and hence, mixing of the salt and interbed material in the extruded sill is significantly greater than would be the case for the directly formed diapir. In West Hackberry, remnants of interbeds apparently no longer exist. An important aspect of the construction of the West Hackberry caverns is the evidence of an attempt to use a uniform solutioning construction practice. This uniformity involved the utilization of single well solutioning and

  8. Parametric probability distributions for anomalous change detection

    Energy Technology Data Exchange (ETDEWEB)

    Theiler, James P [Los Alamos National Laboratory; Foy, Bernard R [Los Alamos National Laboratory; Wohlberg, Brendt E [Los Alamos National Laboratory; Scovel, James C [Los Alamos National Laboratory

    2010-01-01

    The problem of anomalous change detection arises when two (or possibly more) images are taken of the same scene, but at different times. The aim is to discount the 'pervasive differences' that occur thoughout the imagery, due to the inevitably different conditions under which the images were taken (caused, for instance, by differences in illumination, atmospheric conditions, sensor calibration, or misregistration), and to focus instead on the 'anomalous changes' that actually take place in the scene. In general, anomalous change detection algorithms attempt to model these normal or pervasive differences, based on data taken directly from the imagery, and then identify as anomalous those pixels for which the model does not hold. For many algorithms, these models are expressed in terms of probability distributions, and there is a class of such algorithms that assume the distributions are Gaussian. By considering a broader class of distributions, however, a new class of anomalous change detection algorithms can be developed. We consider several parametric families of such distributions, derive the associated change detection algorithms, and compare the performance with standard algorithms that are based on Gaussian distributions. We find that it is often possible to significantly outperform these standard algorithms, even using relatively simple non-Gaussian models.

  9. Structural-Functional Features of the Thyrotropin Receptor: A Class A G-Protein-Coupled Receptor at Work.

    Science.gov (United States)

    Kleinau, Gunnar; Worth, Catherine L; Kreuchwig, Annika; Biebermann, Heike; Marcinkowski, Patrick; Scheerer, Patrick; Krause, Gerd

    2017-01-01

    The thyroid-stimulating hormone receptor (TSHR) is a member of the glycoprotein hormone receptors, a sub-group of class A G-protein-coupled receptors (GPCRs). TSHR and its endogenous ligand thyrotropin (TSH) are of essential importance for growth and function of the thyroid gland and proper function of the TSH/TSHR system is pivotal for production and release of thyroid hormones. This receptor is also important with respect to pathophysiology, such as autoimmune (including ophthalmopathy) or non-autoimmune thyroid dysfunctions and cancer development. Pharmacological interventions directly targeting the TSHR should provide benefits to disease treatment compared to currently available therapies of dysfunctions associated with the TSHR or the thyroid gland. Upon TSHR activation, the molecular events conveying conformational changes from the extra- to the intracellular side of the cell across the membrane comprise reception, conversion, and amplification of the signal. These steps are highly dependent on structural features of this receptor and its intermolecular interaction partners, e.g., TSH, antibodies, small molecules, G-proteins, or arrestin. For better understanding of signal transduction, pathogenic mechanisms such as autoantibody action and mutational modifications or for developing new pharmacological strategies, it is essential to combine available structural data with functional information to generate homology models of the entire receptor. Although so far these insights are fragmental, in the past few decades essential contributions have been made to investigate in-depth the involved determinants, such as by structure determination via X-ray crystallography. This review summarizes available knowledge (as of December 2016) concerning the TSHR protein structure, associated functional aspects, and based on these insights we suggest several receptor complex models. Moreover, distinct TSHR properties will be highlighted in comparison to other class A GPCRs to

  10. Anomalous magnetohydrodynamics in the extreme relativistic domain

    CERN Document Server

    Giovannini, Massimo

    2016-01-01

    The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...

  11. Anomalous biceps origin from the rotator cuff

    Directory of Open Access Journals (Sweden)

    Samik Banerjee

    2015-01-01

    Full Text Available Variations in the origin of the long head of biceps tendon (LHBT have been described in literature; however, its clinical significance remains uncertain. We describe in this report, the history, physical examination and the arthroscopic findings in a patient who had an anomalous origin of the LHBT from the rotator cuff, resulting in restriction of range of motion. This anomalous origin of the long head of biceps tendon causing capsular contracture and restriction of movements leading to secondary internal impingement, has not been extensively reported in the literature. Shoulder arthroscopists should be aware that, although, an uncommon clinical condition, the aberrant congenital origin of the LHBT from the rotator cuff can rarely become pathologic in middle age and lead to shoulder dysfunction. In such cases, release of the anomalous band may be required, along with the treatment of other concomitant intraarticular pathologies in the glenohumeral joint.

  12. Total least squares for anomalous change detection

    Science.gov (United States)

    Theiler, James; Matsekh, Anna M.

    2010-04-01

    A family of subtraction-based anomalous change detection algorithms is derived from a total least squares (TLSQ) framework. This provides an alternative to the well-known chronochrome algorithm, which is derived from ordinary least squares. In both cases, the most anomalous changes are identified with the pixels that exhibit the largest residuals with respect to the regression of the two images against each other. The family of TLSQbased anomalous change detectors is shown to be equivalent to the subspace RX formulation for straight anomaly detection, but applied to the stacked space. However, this family is not invariant to linear coordinate transforms. On the other hand, whitened TLSQ is coordinate invariant, and special cases of it are equivalent to canonical correlation analysis and optimized covariance equalization. What whitened TLSQ offers is a generalization of these algorithms with the potential for better performance.

  13. The anomalous magnetic moment of the muon

    CERN Document Server

    Jegerlehner, Friedrich

    2017-01-01

    This research monograph covers extensively the theory of the muon anomalous magnetic moment and provides estimates of the theoretical uncertainties. The muon anomalous magnetic moment is one of the most precisely measured quantities in elementary particle physics and provides one of the most stringent tests of relativistic quantum field theory as a fundamental theoretical framework. It allows for an extremely precise check of the standard model of elementary particles and of its limitations. This book reviews the present state of knowledge of the anomalous magnetic moment a=(g-2)/2 of the muon. Recent experiments at the Brookhaven National Laboratory now reach the unbelievable precision of 0.5 parts per million, improving the accuracy of previous g-2 experiments at CERN by a factor of 14. In addition, quantum electrodynamics and electroweak and hadronic effects are reviewed. Since non-perturbative hadronic effects play a key role for the precision test, their evaluation is described in detail. Perspectives fo...

  14. Fractional diffusion equations and anomalous diffusion

    CERN Document Server

    Evangelista, Luiz Roberto

    2018-01-01

    Anomalous diffusion has been detected in a wide variety of scenarios, from fractal media, systems with memory, transport processes in porous media, to fluctuations of financial markets, tumour growth, and complex fluids. Providing a contemporary treatment of this process, this book examines the recent literature on anomalous diffusion and covers a rich class of problems in which surface effects are important, offering detailed mathematical tools of usual and fractional calculus for a wide audience of scientists and graduate students in physics, mathematics, chemistry and engineering. Including the basic mathematical tools needed to understand the rules for operating with the fractional derivatives and fractional differential equations, this self-contained text presents the possibility of using fractional diffusion equations with anomalous diffusion phenomena to propose powerful mathematical models for a large variety of fundamental and practical problems in a fast-growing field of research.

  15. Study on core–shell–shell structured nanoparticles with magnetic and luminescent features: Construction, characterization and oxygen-sensing behavior

    International Nuclear Information System (INIS)

    Min, BU; Wenzhong, Ma

    2013-01-01

    In this paper, we construct core–shell–shell structured nanoparticles, where magnetic Fe 3 O 4 nanoparticles are used as the inner core, mesoporous silica functionalized with phosphorescent Ru(II) complex is used as the outer shell, and the middle shell which is composed of amorphous silica is introduced to minimize the negative effect from the inner core on the sensing probes. The obtained magnetic–luminescent composite nanoparticles are characterized by XRD analysis, IR spectrum, electron microscopy, fluorescence microscopy, thermogravimetric analysis and nitrogen adsorption and desorption, confirming the core–shell–shell structure. The magnetic and photophysical properties of the composite nanoparticles are investigated in detail. Data suggest that the nanoparticles show a smaller saturation magnetization value compared with that of Fe 3 O 4 nanoparticles. The composite namoparticles are red-emitting ones, and the emission is sensitive towards oxygen concentration variations with sensitivity of 4.1 and response time of 7 s. -- Highlights: • Core–shell–shell structured nanoparticles have been constructed. • The nanoparticles have been fully characterized and studied. • The nanoparticles own magnetic, luminescent and oxygen-sensing features. • Good sensitivity, short response time and high photostability have been realized

  16. Structure of a year cycle of athletes training in aerobics (woman with various psychophysiological and functional features

    Directory of Open Access Journals (Sweden)

    T.V. Shepelenko

    2018-02-01

    Full Text Available Purpose : to develop structure of training process creation in a year cycle of qualified athletes’ preparation in aerobics (woman. Material : qualified athletes in aerobics participated in a research (n=46, age 20-22 years, height is 168±2, 4 cm, body weight is 62±4, 2 kg. Athletes were divided into experimental group (n=24 and control group (n=22. It was determined the level of special preparation: performance of standard combinations of basic aerobic steps. Results . The general principles of training programs preparation are developed. Programs include basic and variable components. The basic component of programs represents the standardized structure of means and methods selection of athletes’ preparation. The variable component of programs contained special means and methods differ on character and volume. One of the main parts of a variable component is the psychophysical training. It is based on performance of special sets of exercises in combination with mental figurative representations of motor nature. Conclusions . It is appropriate to carry out planning of training process in a year cycle of preparation considering specific features of factorial structure of athletes’ preparation.

  17. A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug

    Science.gov (United States)

    Bastos, Isadora T. S.; Costa, Fanny N.; Silva, Tiago F.; Barreiro, Eliezer J.; Lima, Lídia M.; Braz, Delson; Lombardo, Giuseppe M.; Punzo, Francesco; Ferreira, Fabio F.; Barroso, Regina C.

    2017-10-01

    LASSBio-1755 is a new cycloalkyl-N-acylhydrazone parent compound designed for the development of derivatives with antinociceptive and anti-inflammatory activities. Although single crystal X-ray diffraction has been considered as the golden standard in structure determination, we successfully used X-ray powder diffraction data in the structural determination of new synthesized compounds, in order to overcome the bottle-neck due to the difficulties experienced in harvesting good quality single crystals of the compounds. We therefore unequivocally assigned the relative configuration (E) to the imine double bond and a s-cis conformation of the amide function of the N-acylhydrazone compound. These features are confirmed by a computational analysis performed on the basis of molecular dynamics calculations, which are extended not only to the structural characteristics but also to the analysis of the anisotropic atomic displacement parameters, a further information - missed in a typical powder diffraction analysis. The so inferred data were used to perform additional cycles of refinement and eventually generate a new cif file with additional physical information. Furthermore, crystal morphology prediction was performed, which is in agreement with the experimental images acquired by scanning electron microscopy, thus providing useful information on possible alternative paths for better crystallization strategies.

  18. Effect of the structural features of hydrochloric acid-deamidated wheat gluten on its susceptibility to enzymatic hydrolysis.

    Science.gov (United States)

    Cui, Chun; Hu, Qingling; Ren, Jiaoyan; Zhao, Haifeng; You, Lijun; Zhao, Mouming

    2013-06-19

    The effect of the structural features of hydrochloric acid-deamidated wheat gluten with different degrees of deamidation (DDs) on the susceptibility to enzymatic hydrolysis by pancreatin was investigated. The wheat gluten deamidated by hydrochloric acid with a DD of 55% revealed the highest susceptibility to enzymatic hydrolysis as evaluated by the hydrolysis degree and nitrogen solubility index of the hydrolysates. An increase of peptides with MW below 3000 Da was observed as the DD increased. Raman spectra in the 1740-1800 cm⁻¹ and 521-530 cm⁻¹ range suggested that wheat gluten had taken off the deamidation with different DDs and that the disulfide bond had disrupted the sulfhydryl groups with different intensities, respectively. Results from the deconvolution of the amide I region of FTIR spectra in the 1600-1700 cm⁻¹ range showed that the content of the α-helix decreased and that the content of the β-turn and β-sheet increased with increasing DDs, which improved the molecular structure and flexibility of wheat gluten. A scanning electron microscope (SEM) revealed that the image of HDG-55% presented the smoothest surface and the least uniform pore, enabling the sample to be more susceptible to enzymatic hydrolysis. The above information will enable us to better understand the effect of structure on the susceptibility of deamidated wheat gluten.

  19. Observations on structural features and characteristics of biological apatite crystals. 4. Observation on ultrastructure of human bone crystals.

    Science.gov (United States)

    Ichijo, T; Yamashita, Y; Terashima, T

    1993-06-01

    In a series of studies to investigate the structural features of the biological crystals such as the tooth and bone, following the previous observations of the tooth crystal using an electron microscope, we examined the ultrastructure of the human bone crystals at near atomic resolution through the cross and longitudinal sections of the crystals. The materials used for this study were the normal bone tissue obtained from the buccal alveolar compact bone of the human mandible in the portion of the lower first molar. The small cubes of the bone tissue were fixed in glutaraldehyde and osmium tetroxide and embedded in epoxy resin using the routine methods. The ultrathin sections were cut with a diamond knife without decalcification. The sections were examined with the HITACHI H-800 type transmission electron microscope operated at 200 kV. Each crystal was observed at the initial magnification of 300,000 times and at the final magnification of 10,000,000 times and over. Using this approach, we showed the configuration of the hydroxyapatite structure in the cross and longitudinal sections of the bone crystals deposited within and between the collagen fibrils (intrafibrillar and interfibrillar crystals) in the bone tissue. Furthermore, using the same approach, we observed the crystal lattices of the hydroxyapatite structure appearing in the cross and longitudinal sections. We sincerely believe that the electron micrographs shown in this report are the first atomic images from the section obtained from the hydroxyapatite crystal from the human alveolar bone.

  20. Special Features of Structure Formation in Pipes from Medium-Carbon Low-Alloy Steel 32G2F Under Heat Treatment

    Science.gov (United States)

    Stepanov, A. I.; Belikov, S. V.; Musikhin, S. A.; Burmasov, S. P.; Popov, A. A.

    2017-03-01

    Special features of formation of structure and properties of seamless pipes from medium-carbon low-alloy steel for oil and gas applications are considered and associated with chemical inhomogeneity of the metal of the pipes.

  1. Structural features and electronic properties of group-III-, group-IV-, and group-V-doped Si nanocrystallites

    International Nuclear Information System (INIS)

    Ramos, L E; Degoli, Elena; Cantele, G; Ossicini, Stefano; Ninno, D; Furthmueller, J; Bechstedt, F

    2007-01-01

    We investigate the incorporation of group-III (B and Al), group-IV (C and Ge), and group-V (N and P) impurities in Si nanocrystallites. The structural features and electronic properties of doped Si nanocrystallites, which are faceted or spherical-like, are studied by means of an ab initio pseudopotential method including spin polarization. Jahn-Teller distortions occur in the neighborhood of the impurity sites and the bond lengths show a dependence on size and shape of the nanocrystallites. We find that the acceptor (group-III) and donor (group-V) levels become deep as the nanocrystallites become small. The energy difference between the spin-up and spin-down levels of group-III and group-V impurities decreases as the size of the Si nanocrystallite increases and tends to the value calculated for Si bulk. Doping with carbon introduces an impurity-related level in the energy gap of the Si nanocrystallites

  2. Quantification of Lignin and Its Structural Features in Plant Biomass Using 13C Lignin as Internal Standard for Pyrolysis-GC-SIM-MS

    OpenAIRE

    van Erven, Gijs; de Visser, Ries; Merkx, Donny W. H.; Strolenberg, Willem; de Gijsel, Peter; Gruppen, Harry; Kabel, Mirjam A.

    2017-01-01

    Understanding the mechanisms underlying plant biomass recalcitrance at the molecular level can only be achieved by accurate analyses of both the content and structural features of the molecules involved. Current quantification of lignin is, however, majorly based on unspecific gravimetric analysis after sulfuric acid hydrolysis. Hence, our research aimed at specific lignin quantification with concurrent characterization of its structural features. Hereto, for the first time, a polymeric 13C l...

  3. Quantification of Lignin and Its Structural Features in Plant Biomass Using 13C Lignin as Internal Standard for Pyrolysis-GC-SIM-MS

    OpenAIRE

    Erven, Van, Gijs; Visser, de, Ries; Merkx, Donny W.H.; Strolenberg, Willem; Gijsel, de, Peter; Gruppen, Harry; Kabel, Mirjam A.

    2017-01-01

    Understanding the mechanisms underlying plant biomass recalcitrance at the molecular level can only be achieved by accurate analyses of both the content and structural features of the molecules involved. Current quantification of lignin is, however, majorly based on unspecific gravimetric analysis after sulfuric acid hydrolysis. Hence, our research aimed at specific lignin quantification with concurrent characterization of its structural features. Hereto, for the first time, a polymeric 13C l...

  4. Anomalous low-temperature desorption from preirradiated rare gas solids

    International Nuclear Information System (INIS)

    Savchenko, E.V.; Gumenchuk, G.B.; Yurtaeva, E.M.; Belov, A.G.; Khyzhniy, I.V.; Frankowski, M.; Beyer, M.K.; Smith-Gicklhorn, A.M.; Ponomaryov, A.N.; Bondybey, V.E.

    2005-01-01

    The role for the exciton-induced defects in the stimulation of anomalous low-temperature desorption of the own lattice atoms from solid Ar and Ne preirradiated by an electron beam is studied. The free electrons from shallow traps-structural defects-was monitored by the measurements of a yield of the thermally induced exoelectron emission (TSEE). The reaction of recombination of self-trapped holes with electrons is considered as a source of energy needed for the desorption of atoms from the surface of preirradiated solids. A key part of the exciton-induced defects in the phenomenon observed is demonstrated

  5. Search for stable energy levels in materials exhibiting strong anomalous fading: The case of apatites

    International Nuclear Information System (INIS)

    Polymeris, George S.; Giannoulatou, Valeria; Sfampa, Ioanna K.; Tsirliganis, Nestor C.; Kitis, George

    2014-01-01

    The thermally assisted OSL signal resulting from very deep traps was studied in the case of three fluorapatite samples, one chlorapatite as well as one collophanite cryptocrystalline carbonite phosphorite sample of various origins. Intense thermally assisted OSL signal was monitored while stimulating at 200 °C in all samples subjected to the present study, indicating the prevalence of the existence of these very deep traps. Anomalous fading effect is ubiquitous for all TL and OSL signals of all apatite samples subjected to the present study. The anomalous fading of the thermally assisted OSL signal arising from very deep traps is strongly differentiated from the anomalous fading of electron trap excited at temperatures below 500 °C. The thermally assisted OSL signal arising from very deep traps was found to clearly be more stable, showing much less anomalous fading over time. The possible implications of this finding in dating of both apatites and feldspars are also briefly discussed. - Highlights: • All apatite samples of the present study yield strong thermally assisted OSL (TA-OSL) signal. • In all cases, TA-OSL signal is much more stable compared to TL and conventional OSL, based on the corresponding anomalous fading rates. • This experimental feature could be extremely beneficial for luminescence dating

  6. Nuclear structure features of very heavy and superheavy nuclei—tracing quantum mechanics towards the ‘island of stability’

    Science.gov (United States)

    Ackermann, D.; Theisen, Ch

    2017-08-01

    The quantum-mechanic nature of nuclear matter is at the origin of the vision of a region of enhanced stability at the upper right end of the chart of nuclei, the so-called ‘island of stability’. Since the 1960s in the early second half of the last century, various models predict closed shells for proton numbers 114-126 and neutron numbers such as 172 or 184. Being stabilized by quantum-mechanic effects only, those extremely heavy man-made nuclear species are an ideal laboratory to study the origin of the strong nuclear interaction which is the driving force for matter properties in many fields ranging from microscopic scales like hadronic systems to cosmic scales in stellar environments like neutron stars. Since the 1950s, experiments on the synthesis of new elements and isotopes have also revealed various exciting nuclear structure features. The contribution of Bohr, Mottelson and Rainwater with, in particular, the development of the unified model played an essential role in this context. Although not anticipated in the region of the heaviest nuclei, many phenomena were subsequently discovered like the interplay of collective features manifesting themselves e.g. in nuclear deformation, ranging from spherical to prolate and oblate shapes with the possible occurrence of triaxial symmetries, and single particle states and their excitation into quasiparticle configurations. The continuous development of modern experimental techniques employing advanced detection set-ups was essential to reveal these exciting nuclear structure aspects in the actinide and transactinide regions since the production cross-section becomes extremely small with increasing mass and charge. Further technological progress, in particular, high intensity stable ion beam accelerator facilities presently under construction, as well as potentially in the farther future radioactive neutron rich ion beams provide a high discovery potential for the basic understanding of nuclear matter.

  7. Contribution of Sequence Motif, Chromatin State, and DNA Structure Features to Predictive Models of Transcription Factor Binding in Yeast.

    Science.gov (United States)

    Tsai, Zing Tsung-Yeh; Shiu, Shin-Han; Tsai, Huai-Kuang

    2015-08-01

    Transcription factor (TF) binding is determined by the presence of specific sequence motifs (SM) and chromatin accessibility, where the latter is influenced by both chromatin state (CS) and DNA structure (DS) properties. Although SM, CS, and DS have been used to predict TF binding sites, a predictive model that jointly considers CS and DS has not been developed to predict either TF-specific binding or general binding properties of TFs. Using budding yeast as model, we found that machine learning classifiers trained with either CS or DS features alone perform better in predicting TF-specific binding compared to SM-based classifiers. In addition, simultaneously considering CS and DS further improves the accuracy of the TF binding predictions, indicating the highly complementary nature of these two properties. The contributions of SM, CS, and DS features to binding site predictions differ greatly between TFs, allowing TF-specific predictions and potentially reflecting different TF binding mechanisms. In addition, a "TF-agnostic" predictive model based on three DNA "intrinsic properties" (in silico predicted nucleosome occupancy, major groove geometry, and dinucleotide free energy) that can be calculated from genomic sequences alone has performance that rivals the model incorporating experiment-derived data. This intrinsic property model allows prediction of binding regions not only across TFs, but also across DNA-binding domain families with distinct structural folds. Furthermore, these predicted binding regions can help identify TF binding sites that have a significant impact on target gene expression. Because the intrinsic property model allows prediction of binding regions across DNA-binding domain families, it is TF agnostic and likely describes general binding potential of TFs. Thus, our findings suggest that it is feasible to establish a TF agnostic model for identifying functional regulatory regions in potentially any sequenced genome.

  8. Contribution of Sequence Motif, Chromatin State, and DNA Structure Features to Predictive Models of Transcription Factor Binding in Yeast.

    Directory of Open Access Journals (Sweden)

    Zing Tsung-Yeh Tsai

    2015-08-01

    Full Text Available Transcription factor (TF binding is determined by the presence of specific sequence motifs (SM and chromatin accessibility, where the latter is influenced by both chromatin state (CS and DNA structure (DS properties. Although SM, CS, and DS have been used to predict TF binding sites, a predictive model that jointly considers CS and DS has not been developed to predict either TF-specific binding or general binding properties of TFs. Using budding yeast as model, we found that machine learning classifiers trained with either CS or DS features alone perform better in predicting TF-specific binding compared to SM-based classifiers. In addition, simultaneously considering CS and DS further improves the accuracy of the TF binding predictions, indicating the highly complementary nature of these two properties. The contributions of SM, CS, and DS features to binding site predictions differ greatly between TFs, allowing TF-specific predictions and potentially reflecting different TF binding mechanisms. In addition, a "TF-agnostic" predictive model based on three DNA "intrinsic properties" (in silico predicted nucleosome occupancy, major groove geometry, and dinucleotide free energy that can be calculated from genomic sequences alone has performance that rivals the model incorporating experiment-derived data. This intrinsic property model allows prediction of binding regions not only across TFs, but also across DNA-binding domain families with distinct structural folds. Furthermore, these predicted binding regions can help identify TF binding sites that have a significant impact on target gene expression. Because the intrinsic property model allows prediction of binding regions across DNA-binding domain families, it is TF agnostic and likely describes general binding potential of TFs. Thus, our findings suggest that it is feasible to establish a TF agnostic model for identifying functional regulatory regions in potentially any sequenced genome.

  9. Highly anomalous energetics of protein cold denaturation linked to folding-unfolding kinetics.

    Directory of Open Access Journals (Sweden)

    M Luisa Romero-Romero

    Full Text Available Despite several careful experimental analyses, it is not yet clear whether protein cold-denaturation is just a "mirror image" of heat denaturation or whether it shows unique structural and energetic features. Here we report that, for a well-characterized small protein, heat denaturation and cold denaturation show dramatically different experimental energetic patterns. Specifically, while heat denaturation is endothermic, the cold transition (studied in the folding direction occurs with negligible heat effect, in a manner seemingly akin to a gradual, second-order-like transition. We show that this highly anomalous energetics is actually an apparent effect associated to a large folding/unfolding free energy barrier and that it ultimately reflects kinetic stability, a naturally-selected trait in many protein systems. Kinetics thus emerges as an important factor linked to differential features of cold denaturation. We speculate that kinetic stabilization against cold denaturation may play a role in cold adaptation of psychrophilic organisms. Furthermore, we suggest that folding-unfolding kinetics should be taken into account when analyzing in vitro cold-denaturation experiments, in particular those carried out in the absence of destabilizing conditions.

  10. Prediction of conformational B-cell epitopes from 3D structures by random forests with a distance-based feature

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    Zou Hua

    2011-08-01

    Full Text Available Abstract Background Antigen-antibody interactions are key events in immune system, which provide important clues to the immune processes and responses. In Antigen-antibody interactions, the specific sites on the antigens that are directly bound by the B-cell produced antibodies are well known as B-cell epitopes. The identification of epitopes is a hot topic in bioinformatics because of their potential use in the epitope-based drug design. Although most B-cell epitopes are discontinuous (or conformational, insufficient effort has been put into the conformational epitope prediction, and the performance of existing methods is far from satisfaction. Results In order to develop the high-accuracy model, we focus on some possible aspects concerning the prediction performance, including the impact of interior residues, different contributions of adjacent residues, and the imbalanced data which contain much more non-epitope residues than epitope residues. In order to address above issues, we take following strategies. Firstly, a concept of 'thick surface patch' instead of 'surface patch' is introduced to describe the local spatial context of each surface residue, which considers the impact of interior residue. The comparison between the thick surface patch and the surface patch shows that interior residues contribute to the recognition of epitopes. Secondly, statistical significance of the distance distribution difference between non-epitope patches and epitope patches is observed, thus an adjacent residue distance feature is presented, which reflects the unequal contributions of adjacent residues to the location of binding sites. Thirdly, a bootstrapping and voting procedure is adopted to deal with the imbalanced dataset. Based on the above ideas, we propose a new method to identify the B-cell conformational epitopes from 3D structures by combining conventional features and the proposed feature, and the random forest (RF algorithm is used as the

  11. High Electrocatalytic Hydrogen Evolution Activity of an Anomalous Ruthenium Catalyst

    KAUST Repository

    Zheng, Yao

    2016-11-28

    Hydrogen evolution reaction (HER) is a critical process due to its fundamental role in electrocatalysis. Practically, the development of high-performance electrocatalysts for HER in alkaline media is of great importance for the conversion of renewable energy to hydrogen fuel via photoelectrochemical water splitting. However, both mechanistic exploration and materials development for HER under alkaline conditions are very limited. Precious Pt metal, which still serves as the state-of-the-art catalyst for HER, is unable to guarantee a sustainable hydrogen supply. Here we report an anomalously structured Ru catalyst that shows 2.5 times higher hydrogen generation rate than Pt and is among the most active HER electrocatalysts yet reported in alkaline solutions. The identification of new face-centered cubic crystallographic structure of Ru nanoparticles was investigated by high-resolution transmission electron microscopy imaging, and its formation mechanism was revealed by spectroscopic characterization and theoretical analysis. For the first time, it is found that the Ru nanocatalyst showed a pronounced effect of the crystal structure on the electrocatalytic activity tested under different conditions. The combination of electrochemical reaction rate measurements and density functional theory computation shows that the high activity of anomalous Ru catalyst in alkaline solution originates from its suitable adsorption energies to some key reaction intermediates and reaction kinetics in the HER process.

  12. High Electrocatalytic Hydrogen Evolution Activity of an Anomalous Ruthenium Catalyst.

    Science.gov (United States)

    Zheng, Yao; Jiao, Yan; Zhu, Yihan; Li, Lu Hua; Han, Yu; Chen, Ying; Jaroniec, Mietek; Qiao, Shi-Zhang

    2016-12-14

    Hydrogen evolution reaction (HER) is a critical process due to its fundamental role in electrocatalysis. Practically, the development of high-performance electrocatalysts for HER in alkaline media is of great importance for the conversion of renewable energy to hydrogen fuel via photoelectrochemical water splitting. However, both mechanistic exploration and materials development for HER under alkaline conditions are very limited. Precious Pt metal, which still serves as the state-of-the-art catalyst for HER, is unable to guarantee a sustainable hydrogen supply. Here we report an anomalously structured Ru catalyst that shows 2.5 times higher hydrogen generation rate than Pt and is among the most active HER electrocatalysts yet reported in alkaline solutions. The identification of new face-centered cubic crystallographic structure of Ru nanoparticles was investigated by high-resolution transmission electron microscopy imaging, and its formation mechanism was revealed by spectroscopic characterization and theoretical analysis. For the first time, it is found that the Ru nanocatalyst showed a pronounced effect of the crystal structure on the electrocatalytic activity tested under different conditions. The combination of electrochemical reaction rate measurements and density functional theory computation shows that the high activity of anomalous Ru catalyst in alkaline solution originates from its suitable adsorption energies to some key reaction intermediates and reaction kinetics in the HER process.

  13. High pressure induced phase transition and superdiffusion in anomalous fluid confined in flexible nanopores

    International Nuclear Information System (INIS)

    Bordin, José Rafael; Krott, Leandro B.; Barbosa, Marcia C.

    2014-01-01

    The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a core-softened potential with two characteristic length scales, which in bulk reproduces the dynamical, thermodynamical, and structural anomalous behavior observed for water and other anomalous fluids. Our findings show that this system has a superdiffusion regime for sufficient high pressure and low temperature. As well, our results indicate that this superdiffusive regime is strongly related with the fluid structural properties and the superdiffusion to diffusion transition is a first order phase transition. We show how the simulation time and statistics are important to obtain the correct dynamical behavior of the confined fluid. Our results are discussed on the basis of the two length scales

  14. Altering the trajectory of early postnatal cortical development can lead to structural and behavioural features of autism

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    Chomiak Taylor

    2010-08-01

    Full Text Available Abstract Background Autism is a behaviourally defined neurodevelopmental disorder with unknown etiology. Recent studies in autistic children consistently point to neuropathological and functional abnormalities in the temporal association cortex (TeA and its associated structures. It has been proposed that the trajectory of postnatal development in these regions may undergo accelerated maturational alterations that predominantly affect sensory recognition and social interaction. Indeed, the temporal association regions that are important for sensory recognition and social interaction are one of the last regions to mature suggesting a potential vulnerability to early maturation. However, direct evaluation of the emerging hypothesis that an altered time course of early postnatal development can lead to an ASD phenotype remains lacking. Results We used electrophysiological, histological, and behavioural techniques to investigate if the known neuronal maturational promoter valproate, similar to that in culture systems, can influence the normal developmental trajectory of TeA in vivo. Brain sections obtained from postnatal rat pups treated with VPA in vivo revealed that almost 40% of cortical cells in TeA prematurely exhibited adult-like intrinsic electrophysiological properties and that this was often associated with gross cortical hypertrophy and a reduced predisposition for social play behaviour. Conclusions The co-manifestation of these functional, structural and behavioural features suggests that alteration of the developmental time course in certain high-order cortical networks may play an important role in the neurophysiological basis of autism.

  15. Structure Crack Identification Based on Surface-mounted Active Sensor Network with Time-Domain Feature Extraction and Neural Network

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    Chunling DU

    2012-03-01

    Full Text Available In this work the condition of metallic structures are classified based on the acquired sensor data from a surface-mounted piezoelectric sensor/actuator network. The structures are aluminum plates with riveted holes and possible crack damage at these holes. A 400 kHz sine wave burst is used as diagnostic signals. The combination of time-domain S0 waves from received sensor signals is directly used as features and preprocessing is not needed for the dam age detection. Since the time sequence of the extracted S0 has a high dimension, principal component estimation is applied to reduce its dimension before entering NN (neural network training for classification. An LVQ (learning vector quantization NN is used to classify the conditions as healthy or damaged. A number of FEM (finite element modeling results are taken as inputs to the NN for training, since the simulated S0 waves agree well with the experimental results on real plates. The performance of the classification is then validated by using these testing results.

  16. A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties*

    Science.gov (United States)

    Campos, Bruna Medeia; Alvarez, Thabata Maria; Zanphorlin, Letícia Maria; Ematsu, Gabriela Cristina; Barud, Hernane; Polikarpov, Igor; Ruller, Roberto; Gilbert, Harry J.; Zeri, Ana Carolina de Mattos; Squina, Fabio Marcio

    2016-01-01

    Carbohydrate-binding modules (CBMs) are appended to glycoside hydrolases and can contribute to the degradation of complex recalcitrant substrates such as the plant cell wall. For application in bioethanol production, novel enzymes with high catalytic activity against recalcitrant lignocellulosic material are being explored and developed. In this work, we report the functional and structural study of CBM_E1, which was discovered through a metagenomics approach and is the founding member of a novel CBM family, CBM81. CBM_E1, which is linked to an endoglucanase, displayed affinity for mixed linked β1,3-β1,4-glucans, xyloglucan, Avicel, and cellooligosaccharides. The crystal structure of CBM_E1 in complex with cellopentaose displayed a canonical β-sandwich fold comprising two β-sheets. The planar ligand binding site, observed in a parallel orientation with the β-strands, is a typical feature of type A CBMs, although the expected affinity for bacterial crystalline cellulose was not detected. Conversely, the binding to soluble glucans was enthalpically driven, which is typical of type B modules. These unique properties of CBM_E1 are at the interface between type A and type B CBMs. PMID:27621314

  17. Observations of structural features and characteristics of biological apatite crystals. 3. Observation on ultrastructure of human dentin crystals.

    Science.gov (United States)

    Ichijo, T; Yamashita, Y; Terashima, T

    1993-03-01

    In a series of studies to investigate the structural features of the biological crystals, using electron microscope, we examined the ultrastructure of the human dentin crystals at near atomic resolution through the cross and longitudinal sections of the crystals. The materials used for this study were the deep layer of the non-carious coronal dentin from freshly extracted human erupted permanent molars. The small cubes of the dentin were fixed in glutaraldehyde and osmium tetroxide and embedded in epoxy resin using the routine methods. The ultrathin sections were cut with a diamond knife without decalcification. The sections were examined with the HITACH H-700 type of transmission electron microscope operated at 200kV. Each crystal was observed at the initial magnification of 300,000 times and at the final magnification of 10,000,000 times and over. Using this approach, the authors have been able to show the configuration of the hydroxyapatite structure in the cross and longitudinal sections of the dentin crystals deposited within and between the collagen fibrils (intrafibrillar and interfibrillar crystal) in the intertubular dentin and observe the basic hexagonal pattern of the unit cell viewed down the c-axis. The authors sincerely believe that the electron micrograph shown in this report is the first atomic image to be obtained from a hydroxyapatite crystal from the human dentin, using the sections.

  18. Optimal design of high damping force engine mount featuring MR valve structure with both annular and radial flow paths

    International Nuclear Information System (INIS)

    Nguyen, Q H; Choi, S B; Lee, Y S; Han, M S

    2013-01-01

    This paper focuses on the optimal design of a compact and high damping force engine mount featuring magnetorheological fluid (MRF). In the mount, a MR valve structure with both annular and radial flows is employed to generate a high damping force. First, the configuration and working principle of the proposed MR mount is introduced. The MRF flows in the mount are then analyzed and the governing equations of the MR mount are derived based on the Bingham plastic behavior of the MRF. An optimal design of the MR mount is then performed to find the optimal structure of the MR valve to generate a maximum damping force with certain design constraints. In addition, the gap size of MRF ducts is empirically chosen considering the ‘lockup’ problem of the mount at high frequency. Performance of the optimized MR mount is then evaluated based on finite element analysis and discussions on performance results of the optimized MR mount are given. The effectiveness of the proposed MR engine mount is demonstrated via computer simulation by presenting damping force and power consumption. (paper)

  19. Optimal design of high damping force engine mount featuring MR valve structure with both annular and radial flow paths

    Science.gov (United States)

    Nguyen, Q. H.; Choi, S. B.; Lee, Y. S.; Han, M. S.

    2013-11-01

    This paper focuses on the optimal design of a compact and high damping force engine mount featuring magnetorheological fluid (MRF). In the mount, a MR valve structure with both annular and radial flows is employed to generate a high damping force. First, the configuration and working principle of the proposed MR mount is introduced. The MRF flows in the mount are then analyzed and the governing equations of the MR mount are derived based on the Bingham plastic behavior of the MRF. An optimal design of the MR mount is then performed to find the optimal structure of the MR valve to generate a maximum damping force with certain design constraints. In addition, the gap size of MRF ducts is empirically chosen considering the ‘lockup’ problem of the mount at high frequency. Performance of the optimized MR mount is then evaluated based on finite element analysis and discussions on performance results of the optimized MR mount are given. The effectiveness of the proposed MR engine mount is demonstrated via computer simulation by presenting damping force and power consumption.

  20. Features of structural and functional state of the heart in patients with chronic heart failure with comorbid hypertension

    Directory of Open Access Journals (Sweden)

    I. V. Drozdova

    2017-06-01

    Full Text Available The aim - to identify structural and functional features of cardiac remodeling in patients with chronic heart failure associated with hypertension. Materials and Methods. Hemodynamic, structural and functional changes have been studied in 77 patients (21 women and 56 men with chronic heart failure with preserved left ventricular ejection fraction using echocardiography. The first group consisted of 46 patients with heart failure and hypertension, the second group included 31 patients with CHF without hypertension. All groups were comparable to age and sex. Results. In patients with heart failure and a history of hypertension remodeling processes were characterized by increase in LAV (17.8%, p<0.05, LVPWd (16.3%, p<0.05, IVSd (12.7%, p<0.05, RWT (22.4%, p<0.05 and ejection fraction (13.3%, p<0.05, compared with patients without hypertension, with a predominance of eccentric and concentric hypertrophy and diastolic dysfunction by type of abnormal relaxation. Conclusions. In CHF patients with hypertension remodeling processes are characterized by walls thickening, increase in left atrium volume, left ventricular myocardial mass, left ventricular ejection fraction with a predominance of eccentric and concentric hypertrophy and diastolic dysfunction by type of abnormal relaxation that are reasonable to use in practice of medical and social expertise.