WorldWideScience

Sample records for crystallographically imposed twofold

  1. Twofold symmetries of the pure gravity action

    Science.gov (United States)

    Cheung, Clifford; Remmen, Grant N.

    2017-01-01

    We recast the action of pure gravity into a form that is invariant under a twofold Lorentz symmetry. To derive this representation, we construct a general parameterization of all theories equivalent to the Einstein-Hilbert action up to a local field redefinition and gauge fixing. We then exploit this freedom to eliminate all interactions except those exhibiting two sets of independently contracted Lorentz indices. The resulting action is local, remarkably simple, and naturally expressed in a field basis analogous to the exponential parameterization of the nonlinear sigma model. The space of twofold Lorentz invariant field redefinitions then generates an infinite class of equivalent representations. By construction, all off-shell Feynman diagrams are twofold Lorentz invariant while all on-shell tree amplitudes are automatically twofold gauge invariant. We extend our results to curved spacetime and calculate the analogue of the Einstein equations. While these twofold invariances are hidden in the canonical approach of graviton perturbation theory, they are naturally expected given the double copy relations for scattering amplitudes in gauge theory and gravity.

  2. Twofold Vlidation of NMET Writing Tests

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    <正>This article takes the validation of NMET writing tests as a point of penetration to examine meticulously and fastidiously whether tests of this kind influence on a national basis can test what it is supposed to test.Here,I shall deal with this issue in a twofold manner,viz.face validity and content validity.Moreover,I also aim to produce findings that could help to guide revisions and promote effectiveness of NMET.After the quantifying and categorizing data collected,I eventually came up with four tables to clearly demonstrate the twofold validity of NMET writing tests.

  3. Superconductivity with two-fold symmetry in topological superconductor Sr x Bi2Se3

    Science.gov (United States)

    Du, Guan; Li, YuFeng; Schneeloch, J.; Zhong, R. D.; Gu, GenDa; Yang, Huan; Lin, Hai; Wen, Hai-Hu

    2017-03-01

    Topological superconductivity is the quantum condensate of paired electrons with an odd parity of the pairing function. By using a Corbino-shape like electrode configuration, we measure the c-axis resistivity of the recently discovered superconductor Sr x Bi2Se3 with the magnetic field rotating within the basal planes, and find clear evidence of two-fold superconductivity. The Laue diffraction measurements on these samples show that the maximum gap direction is either parallel or perpendicular to the main crystallographic axis. This observation is consistent with the theoretical prediction and strongly suggests that Sr x Bi2Se3 is a topological superconductor.

  4. Crystallographic Information Resources

    Science.gov (United States)

    Glasser, Leslie

    2016-01-01

    Crystallographic information provides the fundamental basis for understanding the properties and behavior of materials. This data, such as chemical composition, unit cell dimensions, space group, and atomic positions, derives from the primary literature--that is, from published experimental measurement or theoretical calculation. Although the…

  5. Macromolecular crystallographic estructure refinement

    Directory of Open Access Journals (Sweden)

    Afonine, Pavel V.

    2015-04-01

    Full Text Available Model refinement is a key step in crystallographic structure determination that ensures final atomic structure of macromolecule represents measured diffraction data as good as possible. Several decades have been put into developing methods and computational tools to streamline this step. In this manuscript we provide a brief overview of major milestones of crystallographic computing and methods development pertinent to structure refinement.El refinamiento es un paso clave en el proceso de determinación de una estructura cristalográfica al garantizar que la estructura atómica de la macromolécula final represente de la mejor manera posible los datos de difracción. Han hecho falta varias décadas para poder desarrollar nuevos métodos y herramientas computacionales dirigidas a dinamizar esta etapa. En este artículo ofrecemos un breve resumen de los principales hitos en la computación cristalográfica y de los nuevos métodos relevantes para el refinamiento de estructuras.

  6. Legal theology in imposed constitutionalism

    DEFF Research Database (Denmark)

    Abat Ninet, Antoni

    2017-01-01

    The focus of this paper is the question of legitimacy, and how can we consider legitimate an imposed constitution and the subsequent constitutional principles, practices and values that go hand-in-hand with the legal and political acculturation. Constitutional texts around the world are good...

  7. Fuzzy unit commitment solution - A novel twofold simulated annealing approach

    Energy Technology Data Exchange (ETDEWEB)

    Saber, Ahmed Yousuf; Senjyu, Tomonobu; Yona, Atsushi; Urasaki, Naomitsu [Faculty of Engineering, University of the Ryukyus, 1 Senbaru, Nishihara-cho Nakagami, Okinawa 903-0213 (Japan); Funabashi, Toshihisa [Meidensha Corporation, Riverside Building 36-2, Tokyo 103-8515 (Japan)

    2007-10-15

    The authors propose a twofold simulated annealing (twofold-SA) method for the optimization of fuzzy unit commitment formulation in this paper. In the proposed method, simulated annealing (SA) and fuzzy logic are combined to obtain SA acceptance probabilities from fuzzy membership degrees. Fuzzy load is calculated from error statistics and an initial solution is generated by a priority list method. The initial solution is decomposed into hourly-schedules and each hourly-schedule is modified by decomposed-SA using a bit flipping operator. Fuzzy membership degrees are the selection attributes of the decomposed-SA. A new solution consists of these hourly-schedules of entire scheduling period after repair, as unit-wise constraints may not be fulfilled at the time of an individual hourly-schedule modification. This helps to detect and modify promising schedules of appropriate hours. In coupling-SA, this new solution is accepted for the next iteration if its cost is less than that of current solution. However, a higher cost new solution is accepted with the temperature dependent total cost membership function. Computation time of the proposed method is also improved by the imprecise tolerance of the fuzzy model. Besides, excess units with the system dependent probability distribution help to handle constraints efficiently and imprecise economic load dispatch (ELD) calculations are modified to save the execution time. The proposed method is tested using standard reported data sets. Numerical results show an improvement in solution cost and time compared to the results obtained from other existing methods. (author)

  8. Phaser crystallographic software.

    Science.gov (United States)

    McCoy, Airlie J; Grosse-Kunstleve, Ralf W; Adams, Paul D; Winn, Martyn D; Storoni, Laurent C; Read, Randy J

    2007-08-01

    Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likelihood and multivariate statistics. For molecular replacement, the new algorithms have proved to be significantly better than traditional methods in discriminating correct solutions from noise, and for single-wavelength anomalous dispersion experimental phasing, the new algorithms, which account for correlations between F(+) and F(-), give better phases (lower mean phase error with respect to the phases given by the refined structure) than those that use mean F and anomalous differences DeltaF. One of the design concepts of Phaser was that it be capable of a high degree of automation. To this end, Phaser (written in C++) can be called directly from Python, although it can also be called using traditional CCP4 keyword-style input. Phaser is a platform for future development of improved phasing methods and their release, including source code, to the crystallographic community.

  9. Self-Imposed Creativity Constraints

    DEFF Research Database (Denmark)

    Biskjaer, Michael Mose

    2013-01-01

    Abstract This dissertation epitomizes three years of research guided by the research question: how can we conceptualize creative self-binding as a resource in art and design processes? Concretely, the dissertation seeks to offer insight into the puzzling observation that highly skilled creative...... practitioners sometimes freely and intentionally impose rigid rules, peculiar principles, and other kinds of creative obstructions on themselves as a means to spur momentum in the process and reach a distinctly original outcome. To investigate this the dissertation is composed of four papers (Part II) framed...... of analysis. Informed by the insight that constraints both enable and restrain creative agency, the dissertation’s main contention is that creative self- binding may profitably be conceptualized as the exercise of self-imposed creativity constraints. Thus, the dissertation marks an analytical move from vague...

  10. Imposed currents in galvanic cells

    OpenAIRE

    Biesheuvel, P.M.; Soestbergen, M.; Bazant, M. Z.

    2009-01-01

    We analyze the steady-state behavior of a general mathematical model for reversible galvanic cells, such as redox flow cells, reversible solid oxide fuel cells, and rechargeable batteries. We consider not only operation in the galvanic discharging mode, spontaneously generating a positive current against an external load, but also operation in two modes which require a net input of electrical energy: (i) the electrolytic charging mode, where a negative current is imposed to generate a voltage...

  11. Sex is always well worth its two-fold cost.

    Directory of Open Access Journals (Sweden)

    Alexander Feigel

    Full Text Available Sex is considered as an evolutionary paradox, since its positive contribution to Darwinian fitness remains unverified for some species. Defenses against unpredictable threats (parasites, fluctuating environment and deleterious mutations are indeed significantly improved by wider genetic variability and by positive epistasis gained by sexual reproduction. The corresponding evolutionary advantages, however, do not overcome universally the barrier of the two-fold cost for sharing half of one's offspring genome with another member of the population. Here we show that sexual reproduction emerges and is maintained even when its Darwinian fitness is twice as low as the fitness of asexuals. We also show that more than two sexes (inheritance of genetic material from three or even more parents are always evolutionary unstable. Our approach generalizes the evolutionary game theory to analyze species whose members are able to sense the sexual state of their conspecifics and to adapt their own sex consequently, either by switching or by taxis towards the highest concentration of the complementary sex. The widespread emergence and maintenance of sex follows therefore from its co-evolution with the even more widespread environmental sensing abilities.

  12. Crystallographic topology and its applications

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, C.K.; Burnett, M.N. [Oak Ridge National Lab., TN (United States); Dunbar, W.D. [Simon`s Rock Coll., Great Barrington, MA (United States). Div. of Natural Sciences and Mathematics

    1996-10-01

    Geometric topology and structural crystallography concepts are combined to define a new area we call Structural Crystallographic Topology, which may be of interest to both crystallographers and mathematicians. In this paper, we represent crystallographic symmetry groups by orbifolds and crystal structures by Morse - functions. The Morse function uses mildly overlapping Gaussian thermal-motion probability density functions centered on atomic sites to form a critical net with peak, pass, pale, and pit critical points joined into a graph by density gradient-flow separatrices. Critical net crystal structure drawings can be made with the ORTEP-III graphics pro- An orbifold consists of an underlying topological space with an embedded singular set that represents the Wyckoff sites of the crystallographic group. An orbifold for a point group, plane group, or space group is derived by gluing together equivalent edges or faces of a crystallographic asymmetric unit. The critical-net-on-orbifold model incorporates the classical invariant lattice complexes of crystallography and allows concise quotient-space topological illustrations to be drawn without the repetition that is characteristic of normal crystal structure drawings.

  13. CIF (Crystallographic Information File): A Standard for Crystallographic Data Interchange

    Science.gov (United States)

    Brown, I. D.

    1996-01-01

    The Crystallographic Information File (CIF) uses the self-defining STAR file structure. This requires the creation of a dictionary of data names and definitions. A basic dictionary of terms needed to describe the crystal structures of small molecules was approved in 1991 and is currently used for the submission of papers to Acta Crystallographica C. A number of extensions to this dictionary are in preparation. By storing the dictionary itself as a STAR file, the definitions and relationships in the CIF dictionary become computer interpretable. This offers many possibilities for the automatic handling of crystallographic information. PMID:27805170

  14. Self-Imposed Creativity Constraints

    DEFF Research Database (Denmark)

    Biskjaer, Michael Mose

    2013-01-01

    . As the majority of work in creativity research originates from psychology, the dissertation shows how the humanities – given their salient critical-analytical reflection and high concept awareness – can contribute new types of studies to creativity research, which, despite its blossoming as a field, is becoming...... increasingly fragmented and in need of new ‘big’ unifying questions. Hence the designation of the dissertation’s research approach. The four papers serve a dual purpose. They are contributions in their own right, and they provide partial answers to the overall research question. In this respect, the concept...... of the current dispersed studies on constraints in creativity, spanning psychology, engineering, philosophy, design, and aesthetics. (2) Definitions, concepts, and models of self-imposed creativity constraints for analytical application within and across creative domains, including the 6i model for demonstrating...

  15. The birth of the European Crystallographic Committee (ECC) and of the European Crystallographic Meetings (ECMs)

    Science.gov (United States)

    Authier, A.

    2010-01-01

    This article describes the circumstances of the establishment of the European Crystallographic Committee, now the European Crystallographic Association, a regional associate of the IUCr, and of the European Crystallographic Meetings.

  16. The Crystallographic Information File (CIF

    Directory of Open Access Journals (Sweden)

    I D Brown

    2006-11-01

    Full Text Available The Crystallographic Information File (CIF, owned by the International Union of Crystallography, is a file structure based on tag-value ASCII pairs with tags defined in machine-readable dictionaries. The crystallographic community publishes and archives large quantities of numeric information generated by crystal structure determinations, and CIF's acceptance was assured by its adoption as the submission format for Acta Crystallographica and by the obvious needs of the community. CIF's strength lies in its dictionaries, which define most of the concepts of crystallography; its weakness is the difficulty of writing software that exploits its full potential.

  17. La comunidad imposible: atisbos sartreanos

    Directory of Open Access Journals (Sweden)

    Rius, Mercè

    2016-06-01

    Full Text Available In this paper, Sartre’s ontology is regarded as a precedent of the current political philosophers who state the impossibility of a being-in-common. In this sense they all distance themselves from Hegel and Heidegger, except that the thinkers of the impossible community cannot avoid speculating about death even if they deny that it has any sense. For Sartre though, the incompatibility between death and the freedom to exist remain essential, as well as a defense of realism. Moreover, this paper traces Sartre’s concept of the real and both his tendency and opposition to materialism.En este artículo se aborda la ontología sartreana a modo de precedente de la actual filosofía política que constata la imposibilidad del ser-en-común. Para ambas son Hegel y Heidegger los referentes de que distanciarse. Solo que los pensadores de la imposible comunidad no se abstienen de especular sobre la muerte, aunque nieguen su sentido. En cambio, para Sartre es esencial la incompatibilidad entre la muerte y la libertad del existir, así como la defensa del realismo. Se sigue aquí la pista a su concepto de lo real, a la vez que a su actitud tan propensa como adversa al materialismo.

  18. Triboluminescence dominated by crystallographic orientation

    Science.gov (United States)

    Wang, Kuifang; Ma, Liran; Xu, Xuefeng; Wen, Shizhu; Luo, Jianbin

    2016-05-01

    Triboluminescence (TL) is an optical phenomenon that has a long and varied history with broad applications, such as damage detection, X-ray source, and mass health monitoring sensor. So far, the properties and mechanisms of TL remain not completely understood. The TL properties emitted during the sliding contact between Al2O3 and SiO2 surfaces were studied along different crystallographic orientations. In this study, the TL intensity of Al2O3 was significantly enhanced as Al2O3 surface was along a particular crystallographic orientation, which is an unconventional phenomenon. TL enhancement of Al2O3 was not affected by air atmosphere and atomic stocking mode of Al2O3. The enhancement mechanism of Al2O3 may be influenced by the surface state of Al2O3. This work provides a new method to control the intensity of TL and novel ideas to elucidate the TL mechanism.

  19. Crystallographic properties of fertilizer compounds

    Energy Technology Data Exchange (ETDEWEB)

    Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

    1991-02-01

    This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

  20. A simpler way of imposing simplicity constraints

    CERN Document Server

    Banburski, Andrzej

    2015-01-01

    We investigate a way of imposing simplicity constraints in a holomorphic Spin Foam model that we recently introduced. Rather than imposing the constraints on the boundary spin network, as is usually done, one can impose the constraints directly on the Spin Foam propagator. We find that the two approaches have the same leading asymptotic behaviour, with differences appearing at higher order. This allows us to obtain a model that greatly simplifies calculations, but still has Regge Calculus as its semi-classical limit.

  1. CONSERVATION PROCESS MODEL (CPM): A TWOFOLD SCIENTIFIC RESEARCH SCOPE IN THE INFORMATION MODELLING FOR CULTURAL HERITAGE

    National Research Council Canada - National Science Library

    D. Fiorani; M. Acierno

    2017-01-01

    The aim of the present research is to develop an instrument able to adequately support the conservation process by means of a twofold approach, based on both BIM environment and ontology formalisation...

  2. Imposing resolved turbulence in CFD simulations

    DEFF Research Database (Denmark)

    Gilling, L.; Sørensen, Niels N.

    2011-01-01

    In large‐eddy simulations, the inflow velocity field should contain resolved turbulence. This paper describes and analyzes two methods for imposing resolved turbulence in the interior of the domain in Computational Fluid Dynamics simulations. The intended application of the methods is to impose...... resolved turbulence immediately upstream of the region or structure of interest. Comparing to the alternative of imposing the turbulence at the inlet, there is a large potential to reduce the computational cost of the simulation by reducing the total number of cells. The reduction comes from a lower demand...... of modifying the source terms. None of the two methods can impose synthetic turbulence with good results, but it is shown that by running the turbulence field through a short precursor simulation, very good results are obtained. Copyright © 2011 John Wiley & Sons, Ltd....

  3. Acanthamoeba polyphaga mimivirus NDK: preliminary crystallographic analysis of the first viral nucleoside diphosphate kinase.

    Science.gov (United States)

    Jeudy, Sandra; Coutard, Bruno; Lebrun, Régine; Abergel, Chantal

    2005-06-01

    The complete sequence of the largest known double-stranded DNA virus, Acanthamoeba polyphaga mimivirus, has recently been determined [Raoult et al. (2004), Science, 306, 1344-1350] and revealed numerous genes not expected to be found in a virus. A comprehensive structural and functional study of these gene products was initiated [Abergel et al. (2005), Acta Cryst. F61, 212-215] both to better understand their role in the virus physiology and to obtain some clues to the origin of DNA viruses. Here, the preliminary crystallographic analysis of the viral nucleoside diphosphate kinase protein is reported. The crystal belongs to the cubic space group P2(1)3, with unit-cell parameter 99.425 A. The self-rotation function confirms that there are two monomers per asymmetric unit related by a twofold non-crystallographic axis and that the unit cell thus contains four biological entities.

  4. Internet Based Open Access Crystallographic Databases

    Science.gov (United States)

    Upreti, Girish; Seipel, Bjoern; Harvey, Morgan; Garrick, Will; Moeck, Peter

    2006-05-01

    Two freely accessible crystallographic databases are discussed: the Crystallographic Open Database (COD, http://crystallography.net) which contains over 37,000 crystal structures, and the Nano-Crystallography Database (NCD, http://nanocrystallography.research.pdx.edu) which we recently started to support image-based nanocrystallography and (nano) materials science education. Both databases collect crystallographic relevant information in a standardized format; the Crystallographic Information File (CIF). CIF is the standard file format adopted by the International Union of Crystallography (http://iucr.org) for the archiving and distribution of crystallographic information. A subset of the COD, the Predicted Crystallographic Online Database, allows for 3D structural displays of structural polyhedra and wireframes of approximately 2,600 entries. Since electron microscopist are interested in simple, yet technologically important materials, the crystallographic information for those materials will be included in our database. At our NCD site, entries in the COD and the NCD can be visualized in three dimensions (3D) along with (2D) lattice fringe fingerprints plots. The latter supports the identification of unknown nanocrystal phases from high-resolution transmission electron microscopy (HRTEM) images. Morphological crystal information from the database ``Bestimmungstabellen f"ur Kristalle/ ???????????? ??????????,'' (A.K. Boldyrew and W.W. Doliwo-Dobrowolsky, Zentrales Wissenschaftlichers Institute der Geologie und Sch"urfung, Leningrad/ Moscow, 1937/1939) will also be included in the NCD to support image-based nanocrystallography in 3D.

  5. The New NRL Crystallographic Database

    Science.gov (United States)

    Mehl, Michael; Curtarolo, Stefano; Hicks, David; Toher, Cormac; Levy, Ohad; Hart, Gus

    For many years the Naval Research Laboratory maintained an online graphical database of crystal structures for a wide variety of materials. This database has now been redesigned, updated and integrated with the AFLOW framework for high throughput computational materials discovery (http://materials.duke.edu/aflow.html). For each structure we provide an image showing the atomic positions; the primitive vectors of the lattice and the basis vectors of every atom in the unit cell; the space group and Wyckoff positions; Pearson symbols; common names; and Strukturbericht designations, where available. References for each structure are provided, as well as a Crystallographic Information File (CIF). The database currently includes almost 300 entries and will be continuously updated and expanded. It enables easy search of the various structures based on their underlying symmetries, either by Bravais lattice, Pearson symbol, Strukturbericht designation or commonly used prototypes. The talk will describe the features of the database, and highlight its utility for high throughput computational materials design. Work at NRL is funded by a Contract with the Duke University Department of Mechanical Engineering.

  6. Testing the Twofold Multidimensionality of Academic Self-Concept: A Study with Chinese Vocational Students

    Science.gov (United States)

    Yang, Lan; Arens, A. Katrin; Watkins, David A.

    2016-01-01

    In order to extend previous research on the twofold multidimensionality of academic self-concept (i.e. its domain-specific structure and separation into competence and affect components), the present study tests its generalisability among vocational students from mainland China. A Chinese version of self-description questionnaire I was…

  7. Defining the Crystallographic Fingerprint of Extraterrestrial Treasures

    Science.gov (United States)

    Forman, L. V.; Bland, P. A.; Timms, N. E.; Daly, L.; Benedix, G. K.; Trimby, P. W.

    2016-08-01

    An approach to determine the crystallographic fingerprint of chondritic matrix grains, which is complimentary to the geochemical signature commonly identified to constrain some aspects of the petrogenesis of a sample.

  8. Generation of Supramolecular Chirality around Twofold Rotational or Helical Axes in Crystalline Assemblies of Achiral Components

    Directory of Open Access Journals (Sweden)

    Mikiji Miyata

    2015-10-01

    Full Text Available A multi-point approximation method clarifies supramolecular chirality of twofold rotational or helical assemblies as well as bundles of the one-dimensional (1D assemblies. While one-point approximation of materials claims no chirality generation of such assemblies, multi-point approximations do claim possible generation in the 1D assemblies of bars and plates. Such chirality derives from deformations toward three-axial directions around the helical axes. The chiral columns are bundled in chiral ways through symmetry operations. The preferable right- or left-handed columns are bundled together to yield chiral crystals with right- or left-handedness, respectively, indicating that twofold helix symmetry operations cause chiral crystals composed of achiral components via a three-stepwise and three-directional process.

  9. The two-fold singularity of nonsmooth flows:Leading order dynamics in n-dimensions

    OpenAIRE

    Colombo, Alessandro; Jeffrey, Mike R.

    2013-01-01

    A discontinuity in a system of ordinary differential equations can create allow that slides along the discontinuity locus. Prior to sliding, the flow may have collapsed onto the discontinuity, making the reverse flow non-unique, as happens when dry-friction causes objects to stick. Alternatively, a flow may slide along the discontinuity before escaping it at some indeterminable time, implying non-uniqueness in forward time. At a two-fold singularity these two behaviours are brought together, ...

  10. Bayesian Predictive Inference of a Proportion Under a Twofold Small-Area Model

    Directory of Open Access Journals (Sweden)

    Nandram Balgobin

    2016-03-01

    Full Text Available We extend the twofold small-area model of Stukel and Rao (1997; 1999 to accommodate binary data. An example is the Third International Mathematics and Science Study (TIMSS, in which pass-fail data for mathematics of students from US schools (clusters are available at the third grade by regions and communities (small areas. We compare the finite population proportions of these small areas. We present a hierarchical Bayesian model in which the firststage binary responses have independent Bernoulli distributions, and each subsequent stage is modeled using a beta distribution, which is parameterized by its mean and a correlation coefficient. This twofold small-area model has an intracluster correlation at the first stage and an intercluster correlation at the second stage. The final-stage mean and all correlations are assumed to be noninformative independent random variables. We show how to infer the finite population proportion of each area. We have applied our models to synthetic TIMSS data to show that the twofold model is preferred over a onefold small-area model that ignores the clustering within areas. We further compare these models using a simulation study, which shows that the intracluster correlation is particularly important.

  11. A female-biased sex ratio reduces the twofold cost of sex

    Science.gov (United States)

    Kobayashi, Kazuya; Hasegawa, Eisuke

    2016-04-01

    The evolution of sexual reproduction remains a fascinating enigma in biology. Theoretically, populations of sexual organisms investing half of their resources into producing male offspring that don’t contribute to reproduction should grow at only half the rate of their asexual counterparts. This demographic disadvantage due to male production is known as the twofold cost of sex. However, the question of whether this cost is truly twofold for sexual females remains unanswered. The cost of producing males should decrease when the number of male offspring is reduced. Here, we report a case where the cost of males is actually less than twofold. By measuring the numbers of sexual strain coexisting with asexual strain among thrips, our survey revealed that the sexual strain showed female-biased sex ratios and that the relative frequency of sexual strain is negatively correlated with the proportion of males in the sexual strain. Using computer simulations, we confirmed that a female-biased sex ratio evolves in sexual individuals due to the coexistence of asexual individuals. Our results demonstrate that there is a cost of producing males that depends on the number of males. We therefore conclude that sexual reproduction can evolve with far fewer benefits than previously assumed.

  12. DOCUMENT IMAGE REGISTRATION FOR IMPOSED LAYER EXTRACTION

    Directory of Open Access Journals (Sweden)

    Surabhi Narayan

    2017-02-01

    Full Text Available Extraction of filled-in information from document images in the presence of template poses challenges due to geometrical distortion. Filled-in document image consists of null background, general information foreground and vital information imposed layer. Template document image consists of null background and general information foreground layer. In this paper a novel document image registration technique has been proposed to extract imposed layer from input document image. A convex polygon is constructed around the content of the input and the template image using convex hull. The vertices of the convex polygons of input and template are paired based on minimum Euclidean distance. Each vertex of the input convex polygon is subjected to transformation for the permutable combinations of rotation and scaling. Translation is handled by tight crop. For every transformation of the input vertices, Minimum Hausdorff distance (MHD is computed. Minimum Hausdorff distance identifies the rotation and scaling values by which the input image should be transformed to align it to the template. Since transformation is an estimation process, the components in the input image do not overlay exactly on the components in the template, therefore connected component technique is applied to extract contour boxes at word level to identify partially overlapping components. Geometrical features such as density, area and degree of overlapping are extracted and compared between partially overlapping components to identify and eliminate components common to input image and template image. The residue constitutes imposed layer. Experimental results indicate the efficacy of the proposed model with computational complexity. Experiment has been conducted on variety of filled-in forms, applications and bank cheques. Data sets have been generated as test sets for comparative analysis.

  13. CHINA IMPOSES SPECIAL TAX ON OIL COMPANIES

    Institute of Scientific and Technical Information of China (English)

    Zheng Junde

    2006-01-01

    @@ China's Central Government began imposing a special profit tax on oil companies from March 26 so long as the prices of domestically produced crude oil exceed US$40 per barrel. This is an essential way to make oil companies shoulder their social responsibilities. According to the State Council and the Ministry of Finance, the graduated tax rate starts at 20 percent and rises with the barrel price.A maximum 40 percent tax is charged for barrels that are US$60 and higher. It will be calculated every month, and companies are required to make quarterly payments.

  14. Nexus, crystallographic computing all around the world.

    Science.gov (United States)

    Cranswick, Lachlan Michael David; Bisson, William; Cockcroft, Jeremy Karl

    2008-01-01

    Crystallographic Nexus CD-ROMs, containing a range of free crystallographic software for single-crystal and powder diffraction available on the Internet, have been distributed on request since 1996. The free CD is made in the form of a ;virtual Internet' with the main intent of benefiting crystallographers with inadequate Internet access. The IUCr funds an annual/biennial update which is distributed to known previous recipients. Feedback from current recipients indicates the CD is still useful. The most current IUCr-funded CD is being produced by the CCP14 project at University College London and The Royal Institution UK for distribution to the ECM 2007 and AsCA 2007 conferences.

  15. Non-Crystallographic Symmetry in Packing Spaces

    Directory of Open Access Journals (Sweden)

    Valery G. Rau

    2013-01-01

    Full Text Available In the following, isomorphism of an arbitrary finite group of symmetry, non-crystallographic symmetry (quaternion groups, Pauli matrices groups, and other abstract subgroups, in addition to the permutation group, are considered. Application of finite groups of permutations to the packing space determines space tilings by policubes (polyominoes and forms a structure. Such an approach establishes the computer design of abstract groups of symmetry. Every finite discrete model of the real structure is an element of symmetry groups, including non-crystallographic ones. The set packing spaces of the same order N characterizes discrete deformation transformations of the structure.

  16. Soft-wall domain-growth kinetics of twofold-degenerate ordering

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.

    1986-01-01

    The domain growth in a two-dimensional twofold-degenerate system with soft domain walls is shown to obey dynamical scaling. The value of the growth exponent is n≃0.25 which differs from the classical Lifshitz-Allen-Cahn prediction n=(1/2), but accords with recent findings for other growth models ...... with soft walls. The results suggest that domain-wall softness may be more important than the degeneracy of the ground state for a possible universal classification of domain-growth kinetics....

  17. Two-fold Mellin–Barnes transforms of Usyukina–Davydychev functions

    Energy Technology Data Exchange (ETDEWEB)

    Kniehl, Bernd A., E-mail: kniehl@desy.de [II. Institut für Theoretische Physik, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Kondrashuk, Igor [Grupo de Matemática Aplicada, Departamento de Ciencias Básicas, Universidad del Bío-Bío, Campus Fernando May, Casilla 447, Chillán (Chile); Fakultät für Physik, Universität Bielefeld, Universitätsstraße 25, 33615 Bielefeld (Germany); Notte-Cuello, Eduardo A. [Departamento de Matemáticas, Facultad de Ciencias, Universidad de La Serena, Av. Cisternas 1200, La Serena (Chile); Parra-Ferrada, Ivan [Carrera de Pedagogia en Matemática, Facultad de Educación y Humanidades, Universidad del Bío-Bío, Campus Castilla, Casilla 447, Chillán (Chile); Rojas-Medar, Marko [Grupo de Matemática Aplicada, Departamento de Ciencias Básicas, Universidad del Bío-Bío, Campus Fernando May, Casilla 447, Chillán (Chile)

    2013-11-01

    In our previous paper (Allendes et al., 2013 [10]), we showed that multi-fold Mellin–Barnes (MB) transforms of Usyukina–Davydychev (UD) functions may be reduced to two-fold MB transforms. The MB transforms were written there as polynomials of logarithms of ratios of squares of the external momenta with certain coefficients. We also showed that these coefficients have a combinatoric origin. In this paper, we present an explicit formula for these coefficients. The procedure of recovering the coefficients is based on taking the double-uniform limit in certain series of smooth functions of two variables which is constructed according to a pre-determined iterative way. The result is obtained by using basic methods of mathematical analysis. We observe that the finiteness of the limit of this iterative chain of smooth functions should reflect itself in other mathematical constructions, too, since it is not related in any way to the explicit form of the MB transforms. This finite double-uniform limit is represented in terms of a differential operator with respect to an auxiliary parameter which acts on the integrand of a certain two-fold MB integral. To demonstrate that our result is compatible with original representations of UD functions, we reproduce the integrands of these original integral representations by applying this differential operator to the integrand of the simple integral representation of the scalar triangle four-dimensional integral J(1,1,1−ε)

  18. An Efficient Two-Fold Marginalized Bayesian Filter for Multipath Estimation in Satellite Navigation Receivers

    Directory of Open Access Journals (Sweden)

    Robertson Patrick

    2010-01-01

    Full Text Available Multipath is today still one of the most critical problems in satellite navigation, in particular in urban environments, where the received navigation signals can be affected by blockage, shadowing, and multipath reception. Latest multipath mitigation algorithms are based on the concept of sequential Bayesian estimation and improve the receiver performance by exploiting the temporal constraints of the channel dynamics. In this paper, we specifically address the problem of estimating and adjusting the number of multipath replicas that is considered by the receiver algorithm. An efficient implementation via a two-fold marginalized Bayesian filter is presented, in which a particle filter, grid-based filters, and Kalman filters are suitably combined in order to mitigate the multipath channel by efficiently estimating its time-variant parameters in a track-before-detect fashion. Results based on an experimentally derived set of channel data corresponding to a typical urban propagation environment are used to confirm the benefit of our novel approach.

  19. Magnetocrystalline two-fold symmetry in CaFe2O4 single crystal

    Science.gov (United States)

    Chhaganlal Gandhi, Ashish; Das, Rajasree; Chou, Fang-Cheng; Lin, Jauyn Grace

    2017-05-01

    Understanding of magnetocrystalline anisotropy in CaFe2O4 is a matter of importance for its future applications. A high quality single crystal CaFe2O4 sample is studied by using synchrotron x-ray diffraction, a magnetometer and the electron spin resonance (ESR) technique. A broad feature of the susceptibility curve around room temperature is observed, indicating the development of 1D spin interactions above the on-set of antiferromagnetic transition. The angular dependency of ESR reveals an in-plane two-fold symmetry, suggesting a strong correlation between the room temperature spin structure and magnetocrystalline anisotropy. This finding opens an opportunity for the device utilizing the anisotropy field of CaFe2O4.

  20. Complete controllability of finite quantum systems with twofold energy level degeneracy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Zhedong; Fu, H C, E-mail: hcfu@szu.edu.c [School of Physical Sciences and Technology, Shenzhen University, Shenzhen 518060 (China)

    2010-05-28

    Complete controllability of finite-dimensional quantum systems with energy level degeneracy is investigated using two different approaches. One approach is to apply a weak constant field to eliminate the degeneracy and then control it using techniques developed for non-degenerate quantum systems. Conditions for the elimination of degeneracy are found and the issues of influence of relaxation time of a constant external field on the target state are addressed through the fidelity. Another approach is to control the degenerate system by a single control field directly. It is found that the system with twofold degenerate excited states and non-degenerate ground state is completely controllable except for the two-level system. Conditions of complete controllability are found for both systems with different energy gaps and with equal energy gaps.

  1. An unusual binodal (6,8)-connected 3D supramolecular network with twofold self-penetration

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A dicarboxylate ligand,5-carboxyl-1-carboxymethyl-2-oxidopyridinium (H2L),was utilized to form four complexes with the general formula [M(HL)2(H2O)]·2H2O,M = CuII (1),ZnII (2),MnII (3),CdII (4).The crystals were isomorphous,belonging to the monoclinic C2/c space group.They were constructed from 1D chains and further linked by hydrogen bonds into a novel binodal (6,8)-connected 3D supramolecular network with twofold self-penetration.Photoluminescence studies revealed that complexes 2-4 displayed intense structure-related fluorescent emission bands.

  2. Quantum crystallographic charge density of urea

    Directory of Open Access Journals (Sweden)

    Michael E. Wall

    2016-07-01

    Full Text Available Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  3. Crystallographic theory of the martensitic transformation

    Directory of Open Access Journals (Sweden)

    Edwar A. Torres-López

    2014-08-01

    Full Text Available The martensitic transformation is one of the most researched topics in the materials science during the 20th century. The second half of this century was mainly remembered by the development of several theories related with the kinetics of phase transformation, the mechanisms involved in the nucleation phenomenon, and the way as the crystallographic change is produced. In this paper are described the fundamental concepts that are defined in the crystallographic framework of the martensitic transformation. The study is focused on the application of the most outstanding crystallographic models: the Bain; the Wechsler, Lieberman & Read; and the Bowles & Mackenzie. The topic is presented based upon the particular features of the martensitic transformation, such as its non-diffusional character, type of interface between parent (austenite and product (martensite phases, the formation of substructural defects, and the shape change; all of these features are mathematically described by equations aimed to predict how the transformation will take place rather than to explain the actual movement of the atoms within the structure. This mathematical development is known as the Phenomenological Theory of Martensite Crystallography (PTMC.

  4. A preliminary neutron crystallographic study of thaumatin

    Energy Technology Data Exchange (ETDEWEB)

    Teixeira, Susana C. M. [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); Blakeley, Matthew P. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); Leal, Ricardo M. F. [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); ESRF, 6 Rue Jules Horowitz, BP-220, 38043 Grenoble (France); Mitchell, Edward P. [EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); ESRF, 6 Rue Jules Horowitz, BP-220, 38043 Grenoble (France); Forsyth, V. Trevor, E-mail: tforsyth@ill.fr [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom)

    2008-05-01

    Preliminary neutron crystallographic data from the sweet protein thaumatin have been recorded using the LADI-III diffractometer at the Institut Laue Langevin (ILL). The results illustrate the feasibility of a full neutron structural analysis aimed at further understanding the molecular basis of the perception of sweet taste. Such an analysis will exploit the use of perdeuterated thaumatin. A preliminary neutron crystallographic study of the sweet protein thaumatin is presented. Large hydrogenated crystals were prepared in deuterated crystallization buffer using the gel-acupuncture method. Data were collected to a resolution of 2 Å on the LADI-III diffractometer at the Institut Laue Langevin (ILL). The results demonstrate the feasibility of a full neutron crystallographic analysis of this structure aimed at providing relevant information on the location of H atoms, the distribution of charge on the protein surface and localized water in the structure. This information will be of interest for understanding the specificity of thaumatin–receptor interactions and will contribute to further understanding of the molecular mechanisms underlying the perception of taste.

  5. Quantum crystallographic charge density of urea.

    Science.gov (United States)

    Wall, Michael E

    2016-07-01

    Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement.

  6. Quantum crystallographic charge density of urea

    Science.gov (United States)

    Wall, Michael E.

    2016-01-01

    Standard X-ray crystallography methods use free-atom models to calculate mean unit-cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a charge density model of crystalline urea was calculated using high-level quantum theory and was refined against publicly available ultra-high-resolution experimental Bragg data, including the effects of atomic displacement parameters. The resulting quantum crystallographic model was compared with models obtained using spherical atom or multipole methods. Despite using only the same number of free parameters as the spherical atom model, the agreement of the quantum model with the data is comparable to the multipole model. The static, theoretical crystalline charge density of the quantum model is distinct from the multipole model, indicating the quantum model provides substantially new information. Hydrogen thermal ellipsoids in the quantum model were very similar to those obtained using neutron crystallography, indicating that quantum crystallography can increase the accuracy of the X-ray crystallographic atomic displacement parameters. The results demonstrate the feasibility and benefits of integrating fully periodic quantum charge density calculations into ultra-high-resolution X-ray crystallographic model building and refinement. PMID:27437111

  7. Acanthamoeba polyphaga mimivirus NDK: preliminary crystallographic analysis of the first viral nucleoside diphosphate kinase

    Energy Technology Data Exchange (ETDEWEB)

    Jeudy, Sandra [Information Génomique et Structurale, CNRS UPR 2589, 31 Chemin Joseph Aiguier, 13402 Marseille CEDEX 20 (France); Coutard, Bruno [Architecture et Fonction des Macromolecules Biologiques, CNRS UMR 6098, 31 Chemin Joseph Aiguier, 13402 Marseille CEDEX 20 (France); Lebrun, Régine [IBSM, 31 Chemin Joseph Aiguier, 13402 Marseille CEDEX 20 (France); Abergel, Chantal, E-mail: chantal.abergel@igs.cnrs-mrs.fr [Information Génomique et Structurale, CNRS UPR 2589, 31 Chemin Joseph Aiguier, 13402 Marseille CEDEX 20 (France)

    2005-06-01

    A. polyphaga mimivirus, the largest known double-stranded DNA virus, is the first virus to exhibit a nucleoside diphosphate kinase gene. The expression and crystallization of the viral NDK are reported. The complete sequence of the largest known double-stranded DNA virus, Acanthamoeba polyphaga mimivirus, has recently been determined [Raoult et al. (2004 ▶), Science, 306, 1344–1350] and revealed numerous genes not expected to be found in a virus. A comprehensive structural and functional study of these gene products was initiated [Abergel et al. (2005 ▶), Acta Cryst. F61, 212–215] both to better understand their role in the virus physiology and to obtain some clues to the origin of DNA viruses. Here, the preliminary crystallographic analysis of the viral nucleoside diphosphate kinase protein is reported. The crystal belongs to the cubic space group P2{sub 1}3, with unit-cell parameter 99.425 Å. The self-rotation function confirms that there are two monomers per asymmetric unit related by a twofold non-crystallographic axis and that the unit cell thus contains four biological entities.

  8. World directory of crystallographers and of other scientists employing crystallographic methods

    CERN Document Server

    Filippini, G; Hashizume, H; Torriani, I; Duax, W

    1995-01-01

    The 9th edition of the World Directory of Crystallographers and of Other Scientists Employing Crystallographic Methods, which contains 7907 entries embracing 72 countries, differs considerably from the 8th edition, published in 1990. The content has been updated, and the methods used to acquire the information presented and to produce this new edition of the Directory have involved the latest advances in technology. The Directory is now also available as a regularly updated electronic database, accessible via e-mail, Telnet, Gopher, World-Wide Web, and Mosaic. Full details are given in an Appendix to the printed edition.

  9. Two-fold Mellin-Barnes transforms of Usyukina-Davydychev functions

    CERN Document Server

    Kniehl, Bernd; Notte-Cuello, Eduardo A; Ferrada, Ivan Parra; Rojas-Medar, Marko

    2013-01-01

    In our previous paper (Nucl.Phys.B 870 (2013) 243) we showed that multi-fold Mellin-Barnes (MB) transforms of the Usyukina-Davydychev (UD) functions may be reduced to two-fold MB transforms. The MB transforms were written there as polynomials of logarithms of ratios of squares of the external momenta with certain coefficients. We also showed that these coefficients have a combinatoric origin. In this paper we present an explicit formula for these coefficients. The procedure of recovering the coefficients is based on taking the double uni-form limit in certain series of smooth functions of two variables which is constructed according to a pre-determined iterative way. The result is obtained by using basic methods of mathematical analysis. We observe that the finiteness of the limit of this iterative chain of smooth functions should reflect itself in other mathematical constructions, too, since it is not related in any way to the explicit form of the MB transforms.

  10. A Two-folded Impact Analysis of Schema Changes on Database Applications

    Institute of Scientific and Technical Information of China (English)

    Spyridon K.Gardikiotis; Nicos Malevris

    2009-01-01

    Database applications are becoming increasingly popular, mainly due to the advanced data management facilities that the underlying database management system offers compared against traditional legacy software applications. The interaction, however, of such applications with the database system introduces a number of issues, among which, this paper addresses the impact analysis of the changes performed at the database schema level. Our motivation is to provide the software engineers of database applications with automated methods that facilitate major maintenance tasks, such as source code corrections and regression testing, which should be triggered by the occurrence of such changes. The presented impact analysis is thus two-folded: the impact is analysed in terms of both the affected source code statements and the affected test suites concerning the testing of these applications. To achieve the former objective, a program slicing technique is employed, which is based on an extended version of the program dependency graph. The latter objective requires the analysis of test suites generated for database applications, which is accomplished by employing testing techniques tailored for this type of applications. Utilising both the slicing and the testing techniques enhances program comprehension of database applications, while also supporting the development of a number of practical metrics regarding their maintainability against schema changes. To evaluate the feasibility and effectiveness of the presented techniques and metrics, a software tool, called DATA, has been implemented. The experimental results from its usage on the TPC-C case study are reported and analysed.

  11. Two-fold Mellin-Barnes transforms of Usyukina-Davydychev functions

    Energy Technology Data Exchange (ETDEWEB)

    Kniehl, Bernd [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Kondrashuk, Igor [Univ. del Bio Bio, Chillan (Chile). Dept. de Ciencias Basicas; Bielefeld Univ. (Germany). Fakultaet fuer Physik; Notte-Cuello, Eduardo A. [Univ. de La Serena (Chile). Dept. de Matematicas; Parra-Ferrada, Ivan [Univ. del Bio Bio, Chillan (Chile). Facultad de Educacion y Humanidades; Rojas-Medar, Marko [Univ. del Bio Bio, Chillan (Chile). Dept. de Ciencias Basicas

    2013-04-15

    In our previous paper (Nucl.Phys.B 870 (2013) 243) we showed that multi-fold Mellin-Barnes (MB) transforms of the Usyukina-Davydychev (UD) functions may be reduced to two-fold MB transforms. The MB transforms were written there as polynomials of logarithms of ratios of squares of the external momenta with certain coefficients. We also showed that these coefficients have a combinatoric origin. In this paper we present an explicit formula for these coefficients. The procedure of recovering the coefficients is based on taking the double uni-form limit in certain series of smooth functions of two variables which is constructed according to a pre-determined iterative way. The result is obtained by using basic methods of mathematical analysis. We observe that the finiteness of the limit of this iterative chain of smooth functions should reflect itself in other mathematical constructions, too, since it is not related in any way to the explicit form of the MB transforms.

  12. CONSERVATION PROCESS MODEL (CPM: A TWOFOLD SCIENTIFIC RESEARCH SCOPE IN THE INFORMATION MODELLING FOR CULTURAL HERITAGE

    Directory of Open Access Journals (Sweden)

    D. Fiorani

    2017-05-01

    Full Text Available The aim of the present research is to develop an instrument able to adequately support the conservation process by means of a twofold approach, based on both BIM environment and ontology formalisation. Although BIM has been successfully experimented within AEC (Architecture Engineering Construction field, it has showed many drawbacks for architectural heritage. To cope with unicity and more generally complexity of ancient buildings, applications so far developed have shown to poorly adapt BIM to conservation design with unsatisfactory results (Dore, Murphy 2013; Carrara 2014. In order to combine achievements reached within AEC through BIM environment (design control and management with an appropriate, semantically enriched and flexible The presented model has at its core a knowledge base developed through information ontologies and oriented around the formalization and computability of all the knowledge necessary for the full comprehension of the object of architectural heritage an its conservation. Such a knowledge representation is worked out upon conceptual categories defined above all within architectural criticism and conservation scope. The present paper aims at further extending the scope of conceptual modelling within cultural heritage conservation already formalized by the model. A special focus is directed on decay analysis and surfaces conservation project.

  13. Synthesis, crystal structure, and magnetic properties of a two-fold interpenetrated diamondoid open framework

    Science.gov (United States)

    Wu, Jing-Yun; Cheng, Fu-Yin; Chiang, Ming-Hsi

    2016-10-01

    Self-assembly of an enlarged angular pyridinecarboxylate ligand and cobalt(II) acetate under mild conditions afforded a three-dimensional open-framework coordination polymer, [Co2(μ-H2O)(pyca-43)4]n (1, Hpyca-43=(E)-3-((pyridin-4-yl)methyleneamino)benzoic acid). The molecular structure of 1 has rationalized to be a porous two-fold interpenetrated diamondoid-like network, with dinuclear Co2(μ-H2O)(O2C)4N4 clusters as tetrahedral secondary building units (SBUs), possessing highly solvent accessible volume of approximately 53.0%. Least-squares fit of the magnetic susceptibility data (20-300 K) of 1 yields Curie constant C=6.15 cm3 mol-1 K and Weiss constant θ=-11.6 K. Every Co2 subunit within the network is magnetically insulated to other dimers. The magnetic exchange parameter between Co(II) centers is estimated to -0.72 cm-1, suggesting a weak antiferromagnetic interaction. The gav value of 4.65 from fitting to the Lines model indicates that the decrease of the χMT value upon cooling is dominated by depopulation of the excited Kramer's states to the effective ground singlet. In addition, the thermal stability and adsorption properties of 1 are also reported.

  14. Intense green luminescence associated with two-fold coordinated Si in silica aerogel doped with ?

    Science.gov (United States)

    Li, Y. H.; Mo, C. M.; Yao, L. Z.; Liu, R. C.; Cai, W. L.; Li, X. M.; Wu, Z. Q.; Zhang, L. D.

    1998-02-01

    Amorphous silica aerogels doped with 0953-8984/10/7/013/img11 ions (SADAs) were prepared by the sol-gel route and supercritical drying. The visible luminescence of SADAs was measured and compared with that of porous silicon (PS), pure silica aerogels (PSAs) and silica xerogels doped with 0953-8984/10/7/013/img11 ions (SXDAs). The effect of annealing on the luminescence intensity of SADAs was investigated. Results show that (1) the luminescent intensity of as-prepared SADAs is much higher than that of as-prepared PSAs and SXDAs after annealing at 0953-8984/10/7/013/img13 (2) after annealing at 0953-8984/10/7/013/img14, the visible luminescence of SADAs is further substantially enhanced and becomes much higher than that of PS. However, for PSAs and SXDAs after annealing at 0953-8984/10/7/013/img14 the luminescent intensity is still kept at a very low value in comparison with that of SADAs. The strong visible luminescence appearing in SADAs is ascribed to significant amounts of the twofold coordinated Si (the 0953-8984/10/7/013/img16 (neutral) centre) in SADAs.

  15. Pseudo-unitary dynamics of free relativistic quantum mechanical twofold systems

    Science.gov (United States)

    Cardoso, J. G.

    2012-05-01

    A finite-dimensional pseudo-unitary framework is set up for describing the dynamics of free elementary particles in a purely relativistic quantum mechanical way. States of any individual particles or antiparticles are defined as suitably normalized vectors belonging to the two-complex-dimensional spaces that occur in local orthogonal decompositions of isomorphic copies of Cartan's space. The corresponding dynamical variables thus show up as bounded pseudo-Hermitian operator restrictions that possess real discrete spectra. Any measurement processes have to be performed locally in orthocronous proper Lorentz frames, but typical observational correlations are expressed in terms of symbolic configurations which come from the covariant action on spaces of state vectors of the Poincaré subgroup of an adequate realization of SU(2,2). The overall approach turns out to supply a supposedly natural description of the dynamics of free twofold systems in flat spacetime. One of the main outlooks devised here brings forward the possibility of carrying out methodically the construction of a background to a new relativistic theory of quantum information.

  16. Conservation Process Model (cpm): a Twofold Scientific Research Scope in the Information Modelling for Cultural Heritage

    Science.gov (United States)

    Fiorani, D.; Acierno, M.

    2017-05-01

    The aim of the present research is to develop an instrument able to adequately support the conservation process by means of a twofold approach, based on both BIM environment and ontology formalisation. Although BIM has been successfully experimented within AEC (Architecture Engineering Construction) field, it has showed many drawbacks for architectural heritage. To cope with unicity and more generally complexity of ancient buildings, applications so far developed have shown to poorly adapt BIM to conservation design with unsatisfactory results (Dore, Murphy 2013; Carrara 2014). In order to combine achievements reached within AEC through BIM environment (design control and management) with an appropriate, semantically enriched and flexible The presented model has at its core a knowledge base developed through information ontologies and oriented around the formalization and computability of all the knowledge necessary for the full comprehension of the object of architectural heritage an its conservation. Such a knowledge representation is worked out upon conceptual categories defined above all within architectural criticism and conservation scope. The present paper aims at further extending the scope of conceptual modelling within cultural heritage conservation already formalized by the model. A special focus is directed on decay analysis and surfaces conservation project.

  17. Theory for magnetic linear dichroism of electronic transitions between twofold-degenerate molecular spin levels

    Science.gov (United States)

    Bominaar, Emile L.; Achim, Catalina; Peterson, Jim

    1998-07-01

    Magnetic linear dichroism (MLD) spectroscopy is a relatively new technique which previously has been almost exclusively applied to atoms. These investigations have revealed that the study of MLD, in conjunction with electronic absorption and magnetic circular dichroism (MCD) spectroscopies, provides significant additional information concerning the electronic structure of atoms. More recent measurements have indicated that MLD is also observable from transition ions in inorganic compounds and metalloproteins. While the theory for atomic MLD has been worked out in considerable detail during the last two decades, an MLD theory of practical utility for the analysis of the spectra derived from the majority of paramagnetic molecules is not available. In the present contribution, the MLD of an electric-dipole-allowed transition between twofold-degenerate molecular spin levels is analyzed, assuming nonsaturating conditions. As for atomic systems, it is found that the MLD of a single molecule is dominated by the term G0. However, this term vanishes in the powder average evaluated for a randomly oriented ensemble of molecules, leading to a drastic reduction of the MLD differential absorption for systems with spin S=1/2 compared to that observed for systems with higher ground-state spin. It is found that MLD and MCD spectroscopies on solution samples have complementary spin-state specific sensitivities which suggest that the two methods can be used to selectively probe the individual metal sites in multicenter metalloprotein assemblies.

  18. A twofold quantum delayed-choice experiment in a superconducting circuit.

    Science.gov (United States)

    Liu, Ke; Xu, Yuan; Wang, Weiting; Zheng, Shi-Biao; Roy, Tanay; Kundu, Suman; Chand, Madhavi; Ranadive, Arpit; Vijay, Rajamani; Song, Yipu; Duan, Luming; Sun, Luyan

    2017-05-01

    Wave-particle complementarity lies at the heart of quantum mechanics. To illustrate this mysterious feature, Wheeler proposed the delayed-choice experiment, where a quantum system manifests the wave- or particle-like attribute, depending on the experimental arrangement, which is made after the system has entered the interferometer. In recent quantum delayed-choice experiments, these two complementary behaviors were simultaneously observed with a quantum interferometer in a superposition of being closed and open. We suggest and implement a conceptually different quantum delayed-choice experiment by introducing a which-path detector (WPD) that can simultaneously record and neglect the system's path information, but where the interferometer itself is classical. Our experiment is realized with a superconducting circuit, where a cavity acts as the WPD for an interfering qubit. Using this setup, we implement the first twofold delayed-choice experiment, which demonstrates that the system's behavior depends not only on the measuring device's configuration that can be chosen even after the system has been detected but also on whether we a posteriori erase or mark the which-path information, the latter of which cannot be revealed by previous quantum delayed-choice experiments. Our results represent the first demonstration of both counterintuitive features with the same experimental setup, significantly extending the concept of quantum delayed-choice experiment.

  19. Crystallographic Analysis of Tapering of ADP Crystallites

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    On the basis of crystallographic characteristics of ADP (ammonium dihydrogen phosphate) crystals and the selected growth conditions, the growth habit of ADP crystals was studied. In comparison with pyramidal planes, the growth rate of prismatic faces is slower and more sensitive to the additives and impurities for ADP crystals. When the supersaturation is low, the advance of growth steps on prismatic face can be blocked by ethanol or impurities, the crystal morphology is changed from the tetragonal prism to shuttle (i.e., the tapered shape). The tapering formation of ADP crystallites was structurally studied in a novel view.

  20. Orbits of crystallographic embedding of non-crystallographic groups and applications to virology.

    Science.gov (United States)

    Twarock, Reidun; Valiunas, Motiejus; Zappa, Emilio

    2015-11-01

    The architecture of infinite structures with non-crystallographic symmetries can be modelled via aperiodic tilings, but a systematic construction method for finite structures with non-crystallographic symmetry at different radial levels is still lacking. This paper presents a group theoretical method for the construction of finite nested point sets with non-crystallographic symmetry. Akin to the construction of quasicrystals, a non-crystallographic group G is embedded into the point group P of a higher-dimensional lattice and the chains of all G-containing subgroups are constructed. The orbits of lattice points under such subgroups are determined, and it is shown that their projection into a lower-dimensional G-invariant subspace consists of nested point sets with G-symmetry at each radial level. The number of different radial levels is bounded by the index of G in the subgroup of P. In the case of icosahedral symmetry, all subgroup chains are determined explicitly and it is illustrated that these point sets in projection provide blueprints that approximate the organization of simple viral capsids, encoding information on the structural organization of capsid proteins and the genomic material collectively, based on two case studies. Contrary to the affine extensions previously introduced, these orbits endow virus architecture with an underlying finite group structure, which lends itself better to the modelling of dynamic properties than its infinite-dimensional counterpart.

  1. Collaborative annotation of 3D crystallographic models.

    Science.gov (United States)

    Hunter, J; Henderson, M; Khan, I

    2007-01-01

    This paper describes the AnnoCryst system-a tool that was designed to enable authenticated collaborators to share online discussions about 3D crystallographic structures through the asynchronous attachment, storage, and retrieval of annotations. Annotations are personal comments, interpretations, questions, assessments, or references that can be attached to files, data, digital objects, or Web pages. The AnnoCryst system enables annotations to be attached to 3D crystallographic models retrieved from either private local repositories (e.g., Fedora) or public online databases (e.g., Protein Data Bank or Inorganic Crystal Structure Database) via a Web browser. The system uses the Jmol plugin for viewing and manipulating the 3D crystal structures but extends Jmol by providing an additional interface through which annotations can be created, attached, stored, searched, browsed, and retrieved. The annotations are stored on a standardized Web annotation server (Annotea), which has been extended to support 3D macromolecular structures. Finally, the system is embedded within a security framework that is capable of authenticating users and restricting access only to trusted colleagues.

  2. The Imposed Query: Implications for Library Service Evaluation.

    Science.gov (United States)

    Gross, Melissa

    1998-01-01

    Explores the potential impact of imposed query, a new model of information-seeking behavior, on current approaches to library service and system evaluation. Discusses reference service evaluation, user studies, output measures, and relevance as an evaluation tool. Argues that imposed query broadens understanding of the user and of the role that…

  3. Disease dynamics and costly punishment can foster socially imposed monogamy.

    Science.gov (United States)

    Bauch, Chris T; McElreath, Richard

    2016-04-05

    Socially imposed monogamy in humans is an evolutionary puzzle because it requires costly punishment by those who impose the norm. Moreover, most societies were--and are--polygynous; yet many larger human societies transitioned from polygyny to socially imposed monogamy beginning with the advent of agriculture and larger residential groups. We use a simulation model to explore how interactions between group size, sexually transmitted infection (STI) dynamics and social norms can explain the timing and emergence of socially imposed monogamy. Polygyny dominates when groups are too small to sustain STIs. However, in larger groups, STIs become endemic (especially in concurrent polygynist networks) and have an impact on fertility, thereby mediating multilevel selection. Punishment of polygynists improves monogamist fitness within groups by reducing their STI exposure, and between groups by enabling punishing monogamist groups to outcompete polygynists. This suggests pathways for the emergence of socially imposed monogamy, and enriches our understanding of costly punishment evolution.

  4. The Twofold Multidimensionality of Academic Self-Concept: Domain Specificity and Separation between Competence and Affect Components

    Science.gov (United States)

    Arens, A. Katrin; Yeung, Alexander Seeshing; Craven, Rhonda G.; Hasselhorn, Marcus

    2011-01-01

    Academic self-concept is consistently proven to be multidimensional rather than unidimensional as it is domain specific in nature. However, each specific self-concept domain may be further separated into competence and affect components. This study examines the twofold multidimensionality of academic self-concept (i.e., its domain specificity and…

  5. Breaking pseudo-twofold symmetry in the poliovirus 3'-UTR Y-stem by restoring Watson-Crick base pairs

    NARCIS (Netherlands)

    Zoll, G.J.; Tessari, M.; Kuppeveld, F.J.M. van; Melchers, W.J.G.; Heus, H.A.

    2007-01-01

    The previously described NMR structure of a 5'-CU-3'/5'-UU-3' motif, which is highly conserved within the 3'-UTR Y-stem of poliovirus-like enteroviruses, revealed striking regularities of the local helix geometry, thus retaining the pseudo-twofold symmetry of the RNA helix. A mutant virus with both

  6. Breaking pseudo-twofold symmetry in the poliovirus 3'-UTR Y-stem by restoring Watson-Crick base pairs.

    NARCIS (Netherlands)

    Zoll, G.J.; Tessari, M.; Kuppeveld, F.J.M. van; Melchers, W.J.G.; Heus, H.A.

    2007-01-01

    The previously described NMR structure of a 5'-CU-3'/5'-UU-3' motif, which is highly conserved within the 3'-UTR Y-stem of poliovirus-like enteroviruses, revealed striking regularities of the local helix geometry, thus retaining the pseudo-twofold symmetry of the RNA helix. A mutant virus with both

  7. Twofold reduction of phosphofructokinase activity in Lactococcus lactis results in strong decreases in growth rate and in glycolytic flux

    DEFF Research Database (Denmark)

    Andersen, Heidi Winterberg; Solem, Christian; Hammer, Karin;

    2001-01-01

    Two mutant strains of Lactococcus lactis in which the promoter of the las operon, harboring pfk, pyk, and ldh, were replaced by synthetic promoters were constructed. These las mutants had an approximately twofold decrease in the activity of phosphofructokinase, whereas the activities of pyruvate...

  8. Conformation and sequence evidence for two-fold symmetry in left-handed beta-helix fold.

    Science.gov (United States)

    Shen, Xiaojuan

    2011-09-21

    The left-handed beta-helix (LβH) has received interest recently as it folds as a possible solution for the structure of misfolded proteins associated with prion and Huntington's diseases. Through a combination of sequence and structure analysis, we uncover a novel feature that is common to this unique fold: a two-fold symmetry in both sequence and structure, and this feature always coupled with extended loops in the middle of the helix. Since the results reveal a two-fold symmetric pattern both in the sequence and structure, it may indicate that the symmetry in tertiary structure is coded by the symmetry in primary sequence, which agrees with Anfisen's proposal that a protein's amino-acid sequence specify its three-dimensional structure. It may also indicate that LβH adopts a two-fold repeat pattern during the evolution process and symmetry helps maintaining the stability of the helix structure. The two-fold symmetric pattern and extended loops might be important in maintaining stability of helix proteins. This discovery can be useful in understanding the folding mechanisms of this protein fold and provide insights in the relation between sequences and structures.

  9. X-ray crystallographic studies of metalloproteins.

    Science.gov (United States)

    Volbeda, Anne

    2014-01-01

    Many proteins require metals for their physiological function. In combination with spectroscopic characterizations, X-ray crystallography is a very powerful method to correlate the function of protein-bound metal sites with their structure. Due to their special X-ray scattering properties, specific metals may be located in metalloprotein structures and eventually used for phasing the diffracted X-rays by the method of Multi-wavelength Anomalous Dispersion (MAD). How this is done is the principle subject of this chapter. Attention is also given to the crystallographic characterization of different oxidation states of redox active metals and to the complication of structural changes that may be induced by X-ray irradiation of protein crystals.

  10. Crystallographic orientation dependent etching of graphene layers

    Energy Technology Data Exchange (ETDEWEB)

    Nemes-Incze, Peter; Biro, Laszlo Peter [Research Institute for Technical Physics and Materials Science, PO. Box 49, 1525 Budapest (Hungary); Magda, Gabor [Budapest University of Technology and Economics (BME), PO Box 91, 1521 Budapest (Hungary); Kamaras, Katalin [Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, PO Box 49, 1525, Budapest (Hungary)

    2010-04-15

    Graphene has gripped the scientific community ever since its discovery in 2004, with very promising electronic properties and hopes to integrate graphene into nanoelectronic devices. For graphene to make its way into electronic devices, two major obstacles have to be overcome: reproducible preparation of large area graphene samples and patterning techniques to obtain functional components. In this paper we present a graphene etching technique, which is crystallographic orientation selective and allows for the patterning of graphene layers using a chemical reduction process. The process involves the reduction of the SiO{sub 2} support by the carbon in the graphene itself. This reaction only occurs at the sample edges and does not result in the degradation of the graphene crystal lattice itself. However, we have observed evidence of strong hole doping in our etched samples. This etching technique opens up new possibilities in graphene patterning and modification. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Determination of crystallographic intensities from sparse data

    Directory of Open Access Journals (Sweden)

    Kartik Ayyer

    2015-01-01

    Full Text Available X-ray serial microcrystallography involves the collection and merging of frames of diffraction data from randomly oriented protein microcrystals. The number of diffracted X-rays in each frame is limited by radiation damage, and this number decreases with crystal size. The data in the frame are said to be sparse if too few X-rays are collected to determine the orientation of the microcrystal. It is commonly assumed that sparse crystal diffraction frames cannot be merged, thereby setting a lower limit to the size of microcrystals that may be merged with a given source fluence. The EMC algorithm [Loh & Elser (2009, Phys. Rev. E, 80, 026705] has previously been applied to reconstruct structures from sparse noncrystalline data of objects with unknown orientations [Philipp et al. (2012, Opt. Express, 20, 13129–13137; Ayyer et al. (2014, Opt. Express, 22, 2403–2413]. Here, it is shown that sparse data which cannot be oriented on a per-frame basis can be used effectively as crystallographic data. As a proof-of-principle, reconstruction of the three-dimensional diffraction intensity using sparse data frames from a 1.35 kDa molecule crystal is demonstrated. The results suggest that serial microcrystallography is, in principle, not limited by the fluence of the X-ray source, and collection of complete data sets should be feasible at, for instance, storage-ring X-ray sources.

  12. Crystallographic interpretation of Galois symmetries for magnetic pentagonal ring

    Science.gov (United States)

    Milewski, J.; Lulek, T.; Łabuz, M.

    2017-03-01

    Galois symmetry of exact Bethe Ansatz eigenstates for the magnetic pentagonal ring within the XXX model are investigated by a comparison with crystallographic constructions of space groups. It follows that the arithmetic symmetry of Bethe parameters for the interior of the Brillouin zone admits crystallographic interpretation, in terms of the periodic square Z2 ×Z2 , that is the two-dimensional crystal lattice with Born-Karman period two in both directions.

  13. Simple procedures for imposing constraints for nonlinear least squares optimization

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, R. [Petrobras, Rio de Janeiro (Brazil); Thompson, L.G.; Redner, R.; Reynolds, A.C. [Univ. of Tulsa, OK (United States)

    1995-12-31

    Nonlinear regression method (least squares, least absolute value, etc.) have gained acceptance as practical technology for analyzing well-test pressure data. Even for relatively simple problems, however, commonly used algorithms sometimes converge to nonfeasible parameter estimates (e.g., negative permeabilities) resulting in a failure of the method. The primary objective of this work is to present a new method for imaging the objective function across all boundaries imposed to satisfy physical constraints on the parameters. The algorithm is extremely simple and reliable. The method uses an equivalent unconstrained objective function to impose the physical constraints required in the original problem. Thus, it can be used with standard unconstrained least squares software without reprogramming and provides a viable alternative to penalty functions for imposing constraints when estimating well and reservoir parameters from pressure transient data. In this work, the authors also present two methods of implementing the penalty function approach for imposing parameter constraints in a general unconstrained least squares algorithm. Based on their experience, the new imaging method always converges to a feasible solution in less time than the penalty function methods.

  14. Tax deductibility of fines imposed for competition law infringements

    NARCIS (Netherlands)

    Smits, R.

    2012-01-01

    Companies may try to deduct fines imposed for competition law infringements from corporate tax. Recent case law in the Netherlands establishes that such tax deduction is not allowed. The European Court of Justice gave a preliminary ruling on a technical procedural issue in which it made clear that t

  15. A two-fold interpenetrated flexible bi-pillared-layer framework of Fe(II) with interesting solvent adsorption property

    Indian Academy of Sciences (India)

    Ritesh Haldar; Tapas Kumar Majia

    2011-11-01

    A two-fold interpenetrated microporous bi-pillared-layer framework of Fe(II), {[Fe(2,6-napdc)(4,4'-bipy)](EtOH)(H2O)} (1) (2,6-napdc =2,6-naphthalenedicarboxylate; 4,4'-bipy=4,4'-bipyridine) composed of mixed ligand system has been synthesized and structurally characterized. The 2,6-napdc linkers form a 2D corrugated sheet of {Fe(2,6-napdc)} by linking the secondary building unit of Fe2(CO2)2 in the plane, which are further connected by double 4,4'-bipy pillars resulting in a bi-pillared-layer type 3D framework. The 3D framework is two-fold interpenetrated and exhibits a 3D channel structure (4.0 × 3.5, 1.5 × 0.5 and 2.2 × 2.1 Å2) occupied by the guest water and ethanol molecules. Framework 1 shows high thermal stability, and the desolvated framework (1′) renders permanent porosity realized by N2 adsorption profile at 77K (BET surface area of ∼ 52 m2 g-1). Moreover, the framework 1′ also uptakes different solvent vapours (water, methanol and ethanol) and their type-I profile suggest strong interaction with pore surfaces and overall hydrophilic nature of the framework. Temperature dependent magnetic measurements suggest overall antiferromagnetic behaviour in compound 1.

  16. Crystallographic effects during micromachining — A finite-element model

    Science.gov (United States)

    Song, Shin-Hyung; Choi, Woo Chun

    2015-07-01

    Mechanical micromachining is a powerful and effective way for manufacturing small sized machine parts. Even though the micromachining process is similar to the traditional machining, the material behavior during the process is much different. In particular, many researchers report that the basic mechanics of the work material is affected by microstructures and their crystallographic orientations. For example, crystallographic orientations of the work material have significant influence on force response, chip formation and surface finish. In order to thoroughly understand the effect of crystallographic orientations on the micromachining process, finite-element model (FEM) simulating orthogonal cutting process of single crystallographic material was presented. For modeling the work material, rate sensitive single crystal plasticity of face-centered cubic (FCC) crystal was implemented. For the chip formation during the simulation, element deletion technique was used. The simulation model is developed using ABAQUS/explicit with user material subroutine via user material subroutine (VUMAT). Simulations showed that variation of the specific cutting energy at different crystallographic orientations of work material shows significant anisotropy. The developed FEM model can be a useful prediction tool of micromachining of crystalline materials.

  17. Crystallographic orientation and concentric layers in spicules of calcareous sponges.

    Science.gov (United States)

    Rossi, André Linhares; Ribeiro, Bárbara; Lemos, Moara; Werckmann, Jacques; Borojevic, Radovan; Fromont, Jane; Klautau, Michelle; Farina, Marcos

    2016-11-01

    In this work, the crystallography of calcareous sponges (Porifera) spicules and the organization pattern of the concentric layers present in their inner structure were investigated in 10 species of the subclass Calcaronea and three species of the subclass Calcinea. Polished spicules had specific concentric patterns that varied depending on the plane in which the spicules were sectioned. A 3D model of the concentric layers was created to interpret these patterns and the biomineralization process of the triactine spicules. The morphology of the spicules was compared with the crystallographic orientation of the calcite crystals by analyzing the Kikuchi diffraction patterns using a scanning electron microscope. Triactine spicules from the subclass Calcinea had actines (rays) elongated in the 〈210〉 direction, which is perpendicular to the c-axis. The scale spicules of the hypercalcified species Murrayona phanolepis presented the c-axis perpendicular to the plane of the scale, which is in accordance with the crystallography of all other Calcinea. The triactine spicules of the calcaronean species had approximately the same crystallographic orientation with the unpaired actine elongated in the ∼[211] direction. Only one Calcaronea species, whose triactine was regular, had a different orientation. Three different crystallographic orientations were found in diactines. Spicules with different morphologies, dimensions and positions in the sponge body had similar crystallographic directions suggesting that the crystallographic orientation of spicules in calcareous sponges is conserved through evolution. Copyright © 2016 Elsevier Inc. All rights reserved.

  18. Cracking in reinforced concrete structures due to imposed deformations

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, A.

    1997-04-01

    This thesis is concerned with modeling of the cracking process in reinforced concrete due to imposed deformations. Cracking is investigated both at early ages, during hydration, and at mature age when the final properties of the concrete are reached. One of the most important material characteristics of the concrete at early ages, the Young`s modulus is determined by means of a dynamic method called the resonance frequency method. 40 refs

  19. Optimal Design of DC Electromagnets Based on Imposed Dynamic Characteristics

    Directory of Open Access Journals (Sweden)

    Sergiu Ivas

    2016-10-01

    Full Text Available In this paper is proposed a method for computing of optimal geometric dimensions of a DC electromagnet, based on the imposed dynamical characteristics. For obtaining the optimal design, it is built the criterion function in an analytic form that may be optimized in the order to find the constructive solution. Numerical simulations performed in Matlab software confirm the proposed work. The presented method can be extended to other electromagnetic devices which frequently operate in dynamic regime.

  20. Distortions Imposed By Inflation on Historical-Cost Depreciation

    OpenAIRE

    Boris E Bravo-Ureta

    1983-01-01

    The use of historical-cost depreciation in periods of persistent inflation decreases the present value of depreciation deductions, thus understating the true economic cost of capital and increasing the real after-tax rate of return required by potential investors. Efforts to correct these problems by adopting depreciation methods that allow for artificially short recovery periods or accelerated rates do not provide an adequate solution. Distortions imposed by inflation on historical-cost depr...

  1. On the Challenges Imposed on the Language Test Writers

    Institute of Scientific and Technical Information of China (English)

    曲囡囡; 房利娟

    2008-01-01

    <正>Assessment in the classroom,whether informal,formative,or summative,has been the major source of identifying students’ strengths and weaknesses in learning a foreign language. The article tries to rationalize the current test writers training programs by elaborating on the importance of testing and assessing from the perspectives of the criteria of qualified testing system and the qualifications of test writers which reversely turns to be the challenges imposed on the language test writers.

  2. Defense Acquistion: Rationale for Imposing Domestic Source Restrictions.

    Science.gov (United States)

    2007-11-02

    retained the restriction for polyacrylonitrile-based carbon fiber, periscope tube forgings, bull gear ring forgings, and ship propulsion shaft...forgings 1984 Protect sensitive data Ship propulsion shaft forgings 1984 Unsettled conditions among suppliers In its reviews of industrial base... Ship Propulsion Shafts 14 14 15 16 17 Appendix III Rationale for 10 U.S.C. 2534-Imposed Restrictions Buses Chemical Weapons Antidote

  3. Crystallographic Topology 2: Overview and Work in Progress

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, C.K.

    1999-08-01

    This overview describes an application of contemporary geometric topology and stochastic process concepts to structural crystallography. In this application, crystallographic groups become orbifolds, crystal structures become Morse functions on orbifolds, and vibrating atoms in a crystal become vector valued Gaussian measures with the Radon-Nikodym property. Intended crystallographic benefits include new methods for visualization of space groups and crystal structures, analysis of the thermal motion patterns seen in ORTEP drawings, and a classification scheme for crystal structures based on their Heegaard splitting properties.

  4. Lithium Salt of NH2-substituted Graphene Nanoribbon with Twofold Donor-acceptor Framework: Large Nonlinear Optical Property

    Institute of Scientific and Technical Information of China (English)

    ZHOU Zhong-jun; LI Zhi-ru; HUANG Xu-ri; SUN Chia-chung

    2011-01-01

    Based on graphene, a new class of second-order nonlinear optical(NLO) material, the lithium salt of NH2-substituted graphene nanoribbon with the twofold donor(D)/acceptor(A) mode, was reported. Eight stable 2Li-2NH2-GNR lithium salts, especially cis lithium salts, display considerably large ,β0 values. The combination of NH2-substituting and cis Li-doping makes β0 greatly increased from 0(GNR) to 1.2×105-2.9×105 a.u.(cis-2Li2NH2-GNRs). Our largest β0 value(2.9× l05 a.u.) for cis-2Li-1,3-2NH2-AGNR is comparable to the record value of 1.7× l05 a.u. for a long donor-acceptor polyene.

  5. T4 fibrations over Calabi–Yau two-folds and non-Kähler manifolds in string theory

    Directory of Open Access Journals (Sweden)

    Hai Lin

    2016-08-01

    Full Text Available We construct a geometric model of eight-dimensional manifolds and realize them in the context of type II string theory. These eight-manifolds are constructed by non-trivial T4 fibrations over Calabi–Yau two-folds. These give rise to eight-dimensional non-Kähler Hermitian manifolds with SU(4 structure. The eight-manifold is also a circle fibration over a seven-dimensional G2 manifold with skew torsion. The eight-manifolds of this type appear as internal manifolds with SU(4 structure in type IIB string theory with F3 and F7 fluxes. These manifolds have generalized calibrated cycles in the presence of fluxes.

  6. Complex Structure of the Four-Dimensional Kerr Geometry: Stringy System, Kerr Theorem, and Calabi-Yau Twofold

    Directory of Open Access Journals (Sweden)

    Alexander Burinskii

    2013-01-01

    Full Text Available The 4D Kerr geometry displays many wonderful relations with quantum world and, in particular, with superstring theory. The lightlike structure of fields near the Kerr singular ring is similar to the structure of Sen solution for a closed heterotic string. Another string, open and complex, appears in the complex representation of the Kerr geometry initiated by Newman. Combination of these strings forms a membrane source of the Kerr geometry which is parallel to the structure of M-theory. In this paper we give one more evidence of this relationship, emergence of the Calabi-Yau twofold (K3 surface in twistorial structure of the Kerr geometry as a consequence of the Kerr theorem. Finally, we indicate that the Kerr stringy system may correspond to a complex embedding of the critical N = 2 superstring.

  7. Symmetry-imposed shape of linear response tensors

    Science.gov (United States)

    Seemann, M.; Ködderitzsch, D.; Wimmer, S.; Ebert, H.

    2015-10-01

    A scheme suggested in the literature to determine the symmetry-imposed shape of linear response tensors is revised and extended to allow for the treatment of more complex situations. The extended scheme is applied to discuss the shape of the spin conductivity tensor for all magnetic space groups. This allows in particular investigating the character of longitudinal as well as transverse spin transport for arbitrary crystal structure and magnetic order that give rise, e.g., to the spin Hall, Nernst, and the spin-dependent Seebeck effects.

  8. Crystal structure refinement a crystallographers guide to SHELXL

    CERN Document Server

    2006-01-01

    A crystallographers guide to SHELXL, covering various aspects of practical crystal structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, and more. After an introduction to SHELXL, a brief survey of crystal structure refinement is provided.

  9. Recovery of crystallographic texture in remineralized dental enamel.

    Science.gov (United States)

    Siddiqui, Samera; Anderson, Paul; Al-Jawad, Maisoon

    2014-01-01

    Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture) and position of the (002) Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected enamel to regain

  10. Crystallographic Mapping of Guided Nanowires by Second Harmonic Generation Polarimetry.

    Science.gov (United States)

    Neeman, Lior; Ben-Zvi, Regev; Rechav, Katya; Popovitz-Biro, Ronit; Oron, Dan; Joselevich, Ernesto

    2017-02-08

    The growth of horizontal nanowires (NWs) guided by epitaxial and graphoepitaxial relations with the substrate is becoming increasingly attractive owing to the possibility of controlling their position, direction, and crystallographic orientation. In guided NWs, as opposed to the extensively characterized vertically grown NWs, there is an increasing need for understanding the relation between structure and properties, specifically the role of the epitaxial relation with the substrate. Furthermore, the uniformity of crystallographic orientation along guided NWs and over the substrate has yet to be checked. Here we perform highly sensitive second harmonic generation (SHG) polarimetry of polar and nonpolar guided ZnO NWs grown on R-plane and M-plane sapphire. We optically map large areas on the substrate in a nondestructive way and find that the crystallographic orientations of the guided NWs are highly selective and specific for each growth direction with respect to the substrate lattice. In addition, we perform SHG polarimetry along individual NWs and find that the crystallographic orientation is preserved along the NW in both polar and nonpolar NWs. While polar NWs show highly uniform SHG along their axis, nonpolar NWs show a significant change in the local nonlinear susceptibility along a few micrometers, reflected in a reduction of 40% in the ratio of the SHG along different crystal axes. We suggest that these differences may be related to strain accumulation along the nonpolar wires. We find SHG polarimetry to be a powerful tool to study both selectivity and uniformity of crystallographic orientations of guided NWs with different epitaxial relations.

  11. Recovery of crystallographic texture in remineralized dental enamel.

    Directory of Open Access Journals (Sweden)

    Samera Siddiqui

    Full Text Available Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture and position of the (002 Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected

  12. Arthropod Borne Diseases in Imposed War during 1980-88

    Directory of Open Access Journals (Sweden)

    M Khoobdel

    2008-06-01

    Full Text Available Background: Personnel of military forces have close contact with natural habitat and usually encounter with bite of arthropods and prone to be infected with arthropod borne diseases. The imposed war against Iran was one of the most important and the longest war in the Middle East and even in the world and military people faced various diseases. The aim of this study was to review prevalence of arthropod borne diseases and to collect relevant information and valuable experiences during the imposed war.Methods: The present survey is a historical research and cross-sectional study, focused on arthropod fauna, situation of different arthropod borne diseases and also the ways which military personnel used to protect themselves against them. The information was adopted from valid military health files and also interviewing people who participated in the war.Results: Scabies, cutaneous leishmaniasis, sandfly fever and pediculosis were more prevalent among other arthropod -borne diseases in Iran-Iraq war. Measures to control arthropods and diseases at wartime mainly included: scheduled spraying of pesticides, leishmanization and treatment of patients.Conclusion: Although measures used during the war to control arthropods were proper, however, due to needs and importance of military forces to new equipment and technologies, it is recommended to use deltamethrin-impreg­nated bed net, permethrin treated military uniforms and various insect repellents in future.

  13. The fitness burden imposed by synthesising quorum sensing signals.

    Science.gov (United States)

    Ruparell, A; Dubern, J F; Ortori, C A; Harrison, F; Halliday, N M; Emtage, A; Ashawesh, M M; Laughton, C A; Diggle, S P; Williams, P; Barrett, D A; Hardie, K R

    2016-09-12

    It is now well established that bacterial populations utilize cell-to-cell signaling (quorum-sensing, QS) to control the production of public goods and other co-operative behaviours. Evolutionary theory predicts that both the cost of signal production and the response to signals should incur fitness costs for producing cells. Although costs imposed by the downstream consequences of QS have been shown, the cost of QS signal molecule (QSSM) production and its impact on fitness has not been examined. We measured the fitness cost to cells of synthesising QSSMs by quantifying metabolite levels in the presence of QSSM synthases. We found that: (i) bacteria making certain QSSMs have a growth defect that exerts an evolutionary cost, (ii) production of QSSMs negatively correlates with intracellular concentrations of QSSM precursors, (iii) the production of heterologous QSSMs negatively impacts the production of a native QSSM that shares common substrates, and (iv) supplementation with exogenously added metabolites partially rescued growth defects imposed by QSSM synthesis. These data identify the sources of the fitness costs incurred by QSSM producer cells, and indicate that there may be metabolic trade-offs associated with QS signaling that could exert selection on how signaling evolves.

  14. 康德论美的双重特性%Kant on the Twofold Logical Peculiarity of Beauty

    Institute of Scientific and Technical Information of China (English)

    王奎

    2015-01-01

    与认识和道德不同,康德认为美具有一种双重的逻辑特性:“好像主观性”和“好像客观性”。一方面美以个人的情感而非概念为基础,不能通过经验归纳或理性演绎而得到证明,因而好像是主观的;另一方面,美同经验判断一样要求人们的普遍同意,好像又是客观的。美的本质体现在主客体之间的这种关系,既不是纯然主观的,也不是客观的,任何将美还原为单纯主观性或客观性的观点都是对康德美学的误读。康德美学的独特性就在于这两种看似矛盾的特性在审美判断中可以共存。%s:In contrast with cognitive and moral judgments,Kant holds that the beauty has a twofold logical peculiarity,namely〞as if subjectivity〞and〞as if objectivity〞.On one hand,grounded on one's own feeling rather than any concept,the judgment of taste cannot be confirmed or disconfirmed through empiri-cal induction or rational deduction,just as if it were subjective.On the other hand,like empirical judg-ments,the beauty requires the assent of everyone,as if it were objective.The beauty is therefore neither purely subjective nor objective,and is best to be described as relation of object to the subject.In this con-text,the view that reduces the beauty to mere subjectivity or objectivity is obviously a misunderstanding of Kant's intentions.It is characteristic of Kant's aesthetics that the twofold seeming paradoxical peculiarity can coexist in a single judgment of taste.

  15. Enhanced ultraviolet emission and its irreversible temperature antiquenching behavior of twofold coordinated silicon centers in silica glass

    Science.gov (United States)

    Nagayoshi, Yu; Uchino, Takashi

    2016-10-01

    It has been well documented that an oxygen divacancy center, or a twofold-coordinated Si center, in silica glass yields a singlet-to-singlet photoluminescence (PL) emission at 4.4 eV with a decay time of ˜4 ns. Although the 4.4-eV PL band is interesting in terms of a deep-ultraviolet light emitter, the emission efficiency has been too low to be considered for a practical application. In this work, we show that a highly luminescent silica glass, with an internal quantum yield of 68% for the 4.4-eV PL band at room temperature, can be prepared when micrometer-sized silica powders are heat treated at ˜1900 °C under inert gas atmosphere by using a high-frequency induction heating unit equipped with a graphite crucible. We also show that the intensity of the 4.4-eV emission in the thus prepared silica glass exhibits an irreversible temperature antiquenching behavior in the temperature region below ˜320 K during heating-cooling cycles. The anomalous temperature dependencies of the 4.4-eV emission can be interpreted in terms of thermally activated trapping-detrapping processes of photoexcited electrons associated with deep trap states.

  16. An unprecedented two-fold nested super-polyrotaxane: sulfate-directed hierarchical polythreading assembly of uranyl polyrotaxane moieties

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Lei; Wu, Qun-yan; Yuan, Li-yong; Wang, Lin; An, Shu-wen; Xie, Zhen-ni; Hu, Kong-qiu; Shi, Wei-qun [Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Chai, Zhi-fang [Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); School of Radiological and Interdisciplinary Sciences and Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University, Suzhou (China); Burns, Peter C. [Department of Chemistry and Biochemistry, University of Notre Dame, IN (United States)

    2016-08-01

    The hierarchical assembly of well-organized submoieties could lead to more complicated superstructures with intriguing properties. We describe herein an unprecedented polyrotaxane polythreading framework containing a two-fold nested super-polyrotaxane substructure, which was synthesized through a uranyl-directed hierarchical polythreading assembly of one-dimensional polyrotaxane chains and two-dimensional polyrotaxane networks. This special assembly mode actually affords a new way of supramolecular chemistry instead of covalently linked bulky stoppers to construct stable interlocked rotaxane moieties. An investigation of the synthesis condition shows that sulfate can assume a vital role in mediating the formation of different uranyl species, especially the unique trinuclear uranyl moiety [(UO{sub 2}){sub 3}O(OH){sub 2}]{sup 2+}, involving a notable bent [O=U=O] bond with a bond angle of 172.0(9) . Detailed analysis of the coordination features, the thermal stability as well as a fluorescence, and electrochemical characterization demonstrate that the uniqueness of this super-polyrotaxane structure is mainly closely related to the trinuclear uranyl moiety, which is confirmed by quantum chemical calculations. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Self-imposed length limits in recreational fisheries

    Science.gov (United States)

    Chizinski, Christopher J.; Martin, Dustin R.; Hurley, Keith L.; Pope, Kevin L.

    2014-01-01

    A primary motivating factor on the decision to harvest a fish among consumptive-orientated anglers is the size of the fish. There is likely a cost-benefit trade-off for harvest of individual fish that is size and species dependent, which should produce a logistic-type response of fish fate (release or harvest) as a function of fish size and species. We define the self-imposed length limit as the length at which a captured fish had a 50% probability of being harvested, which was selected because it marks the length of the fish where the probability of harvest becomes greater than the probability of release. We assessed the influences of fish size, catch per unit effort, size distribution of caught fish, and creel limit on the self-imposed length limits for bluegill Lepomis macrochirus, channel catfish Ictalurus punctatus, black crappie Pomoxis nigromaculatus and white crappie Pomoxis annularis combined, white bass Morone chrysops, and yellow perch Perca flavescens at six lakes in Nebraska, USA. As we predicted, the probability of harvest increased with increasing size for all species harvested, which supported the concept of a size-dependent trade-off in costs and benefits of harvesting individual fish. It was also clear that probability of harvest was not simply defined by fish length, but rather was likely influenced to various degrees by interactions between species, catch rate, size distribution, creel-limit regulation and fish size. A greater understanding of harvest decisions within the context of perceived likelihood that a creel limit will be realized by a given angler party, which is a function of fish availability, harvest regulation and angler skill and orientation, is needed to predict the influence that anglers have on fish communities and to allow managers to sustainable manage exploited fish populations in recreational fisheries.

  18. Crystallographic data processing for free-electron laser sources

    Energy Technology Data Exchange (ETDEWEB)

    White, Thomas A., E-mail: taw@physics.org; Barty, Anton; Stellato, Francesco [DESY, Notkestrasse 85, 22607 Hamburg (Germany); Holton, James M. [University of California, San Francisco, CA 94158 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kirian, Richard A. [DESY, Notkestrasse 85, 22607 Hamburg (Germany); Arizona State University, Tempe, AZ 85287 (United States); Zatsepin, Nadia A. [Arizona State University, Tempe, AZ 85287 (United States); Chapman, Henry N. [DESY, Notkestrasse 85, 22607 Hamburg (Germany); University of Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

    2013-07-01

    A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A detailed analysis of the nature and impact of indexing ambiguities is presented. Simulations of the Monte Carlo integration scheme, which accounts for the partially recorded nature of the diffraction intensities, are presented and show that the integration of partial reflections could be made to converge more quickly if the bandwidth of the X-rays were to be increased by a small amount or if a slight convergence angle were introduced into the incident beam.

  19. Crystallographic changes in lead zirconate titanate due to neutron irradiation

    Directory of Open Access Journals (Sweden)

    Alexandra Henriques

    2014-11-01

    Full Text Available Piezoelectric and ferroelectric materials are useful as the active element in non-destructive monitoring devices for high-radiation areas. Here, crystallographic structural refinement (i.e., the Rietveld method is used to quantify the type and extent of structural changes in PbZr0.5Ti0.5O3 after exposure to a 1 MeV equivalent neutron fluence of 1.7 × 1015 neutrons/cm2. The results show a measurable decrease in the occupancy of Pb and O due to irradiation, with O vacancies in the tetragonal phase being created preferentially on one of the two O sites. The results demonstrate a method by which the effects of radiation on crystallographic structure may be investigated.

  20. A crystallographic perspective on sharing data and knowledge.

    Science.gov (United States)

    Bruno, Ian J; Groom, Colin R

    2014-10-01

    The crystallographic community is in many ways an exemplar of the benefits and practices of sharing data. Since the inception of the technique, virtually every published crystal structure has been made available to others. This has been achieved through the establishment of several specialist data centres, including the Cambridge Crystallographic Data Centre, which produces the Cambridge Structural Database. Containing curated structures of small organic molecules, some containing a metal, the database has been produced for almost 50 years. This has required the development of complex informatics tools and an environment allowing expert human curation. As importantly, a financial model has evolved which has, to date, ensured the sustainability of the resource. However, the opportunities afforded by technological changes and changing attitudes to sharing data make it an opportune moment to review current practices.

  1. Recent developments in crystallographic investigation of martensitic transformation

    Institute of Scientific and Technical Information of China (English)

    GU Nanju; DONG Guixia; LIN Xiaoping; WANG Baoqi; MA Xiaoli

    2004-01-01

    The results and new knowledge obtained in recent years by using an atom force microscope (AFM) to investigate the surface relieves and to reveal the lattice deformation characteristics in martensitic transformation (MT) are summarized. All-round analysis and research about crystallography and morphology of MT have been done based on our "displacement vector" theory. New viewpoints that the "invariant-plane-strain" criterion have no universality and that the large rotation of habit-planes takes place in {557} lath and {225} plate martensites are put forward. Thereby, the formation mode of {557} martensite is established, which is in good agreement with the experimental results. Finally, according to the self-accommodation principle between variants crystallographic calculations of twin and multi-variant martensites in shape memory alloys have been carried out. The calculation method greatly simplifies the crystallographic calculation process of phenomenological theory. And the calculated results are in good agreement with experimental ones.

  2. Crystallographically uniform arrays of ordered (In)GaN nanocolumns

    Energy Technology Data Exchange (ETDEWEB)

    Gačević, Ž., E-mail: gacevic@isom.upm.es; Bengoechea-Encabo, A.; Albert, S.; Calleja, E. [ETSIT-ISOM, Universidad Politécnica de Madrid, Avda. Complutense s/n, 28040 Madrid (Spain); Torres-Pardo, A.; González-Calbet, J. M. [Dept. Química Inorgánica, Universidad Complutense, 28040 Madrid (Spain); CEI Campus Moncloa, UCM-UPM, Madrid (Spain)

    2015-01-21

    In this work, through a comparative study of self-assembled (SA) and selective area grown (SAG) (In)GaN nanocolumn (NC) ensembles, we first give a detailed insight into improved crystallographic uniformity (homogeneity of crystallographic tilts and twists) of the latter ones. The study, performed making use of: reflective high energy electron diffraction, X-ray diffraction and scanning electron microscopy, reveals that unlike their SA counterparts, the ensembles of SAG NCs show single epitaxial relationship to both sapphire(0001) and Si(111) underlying substrates. In the second part of the article, making use of X-ray diffraction, we directly show that the selective area growth leads to improved compositional uniformity of InGaN NC ensembles. This further leads to improved spectral purity of their luminescence, as confirmed by comparative macro-photoluminescence measurements performed on SA and SAG InGaN NC ensembles. An improved crystallographic uniformity of NC ensembles facilitates their integration into optoelectronic devices, whereas their improved compositional uniformity allows for their employment in single-color optoelectronic applications.

  3. Crystallographically uniform arrays of ordered (In)GaN nanocolumns

    Science.gov (United States)

    Gačević, Ž.; Bengoechea-Encabo, A.; Albert, S.; Torres-Pardo, A.; González-Calbet, J. M.; Calleja, E.

    2015-01-01

    In this work, through a comparative study of self-assembled (SA) and selective area grown (SAG) (In)GaN nanocolumn (NC) ensembles, we first give a detailed insight into improved crystallographic uniformity (homogeneity of crystallographic tilts and twists) of the latter ones. The study, performed making use of: reflective high energy electron diffraction, X-ray diffraction and scanning electron microscopy, reveals that unlike their SA counterparts, the ensembles of SAG NCs show single epitaxial relationship to both sapphire(0001) and Si(111) underlying substrates. In the second part of the article, making use of X-ray diffraction, we directly show that the selective area growth leads to improved compositional uniformity of InGaN NC ensembles. This further leads to improved spectral purity of their luminescence, as confirmed by comparative macro-photoluminescence measurements performed on SA and SAG InGaN NC ensembles. An improved crystallographic uniformity of NC ensembles facilitates their integration into optoelectronic devices, whereas their improved compositional uniformity allows for their employment in single-color optoelectronic applications.

  4. Expression, limited proteolysis and preliminary crystallographic analysis of IpaD, a component of the Shigella flexneri type III secretion system

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Steven [Laboratory of Molecular Biophysics, Department of Biochemistry, University of Oxford (United Kingdom); Sir William Dunn School of Pathology, University of Oxford (United Kingdom); Roversi, Pietro [Laboratory of Molecular Biophysics, Department of Biochemistry, University of Oxford (United Kingdom); Espina, Marianela [Department of Molecular Biosciences, University of Kansas (United States); Deane, Janet E. [Laboratory of Molecular Biophysics, Department of Biochemistry, University of Oxford (United Kingdom); Birket, Susan; Picking, William D. [Department of Molecular Biosciences, University of Kansas (United States); Blocker, Ariel [Sir William Dunn School of Pathology, University of Oxford (United Kingdom); Picking, Wendy L. [Department of Molecular Biosciences, University of Kansas (United States); Lea, Susan M., E-mail: susan.lea@path.ox.ac.uk [Laboratory of Molecular Biophysics, Department of Biochemistry, University of Oxford (United Kingdom); Sir William Dunn School of Pathology, University of Oxford (United Kingdom)

    2006-09-01

    IpaD, the putative needle-tip protein of the S. flexneri type III secretion system, has been crystallized in a variety of crystal forms using in-drop proteolysis. Native and selenomethionine-labelled data collection and preliminary analyses are reported. IpaD, the putative needle-tip protein of the Shigella flexneri type III secretion system, has been overexpressed and purified. Crystals were grown of the native protein in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 55.9, b = 100.7, c = 112.0 Å, and data were collected to 2.9 Å resolution. Analysis of the native Patterson map revealed a peak at 50% of the origin on the Harker section v = 0.5, suggesting twofold non-crystallographic symmetry parallel to the b crystallographic axis. As attempts to derivatize or grow selenomethionine-labelled protein crystals failed, in-drop proteolysis was used to produce new crystal forms. A trace amount of subtilisin Carlsberg was added to IpaD before sparse-matrix screening, resulting in the production of several new crystal forms. This approach produced SeMet-labelled crystals and diffraction data were collected to 3.2 Å resolution. The SeMet crystals belong to space group C2, with unit-cell parameters a = 139.4, b = 45.0, c = 99.5 Å, β = 107.9°. An anomalous difference Patterson map revealed peaks on the Harker section v = 0, while the self-rotation function indicates the presence of a twofold noncrystallographic symmetry axis, which is consistent with two molecules per asymmetric unit.

  5. HIV-1 imposes rigidity on blood and semen cytokine networks.

    Science.gov (United States)

    Lisco, Andrea; Introini, Andrea; Munawwar, Arshi; Vanpouille, Christophe; Grivel, Jean-Charles; Blank, Paul; Singh, Sarman; Margolis, Leonid

    2012-12-01

    Although it is established that the levels of individual cytokines are altered by HIV-1 infection, the changes in cytokine interrelations that organize them into networks have been poorly studied. Here, we evaluated these networks in HIV-infected and HIV-uninfected individuals in fluid compartments that are critical for HIV-1 pathogenesis and transmission, namely blood and semen. In samples collected from therapy-naïve HIV-1-infected and HIV-1-uninfected individuals, we measured HIV-1-load, CD4 cell count, and levels of 21 cytokines using a multiplex bead assay. Cytokine networks in blood and semen were different for HIV-1-infected and HIV-1-uninfected individuals. In both compartments of HIV-1-infected individuals, the cytokine networks were more interlocked than in controls: HIV-1 infection resulted in the establishment of new correlations and in the strengthening of pre-existing correlations between different cytokines. In blood and semen of HIV-infected patients, there were, respectively, 68 and 72 statistically significant correlations between cytokines, while in uninfected individuals, there were 18 and 21 such correlations. HIV-1 infection reorganizes the cytokine networks, establishing new strong correlations between various cytokines and thus imposes a high rigidity on the cytokine network. This rigidity may reflect the impairment of the ability of the immune system to respond to microbial challenges. © 2012 John Wiley & Sons A/S.

  6. Non-axisymmetric instabilities in discs with imposed zonal flows

    Science.gov (United States)

    Vanon, R.; Ogilvie, G. I.

    2016-12-01

    We conduct a linear stability calculation of an ideal Keplerian flow on which a sinusoidal zonal flow is imposed. The analysis uses the shearing sheet model and is carried out both in isothermal and adiabatic conditions, with and without self-gravity (SG). In the non-SG regime, a structure in the potential vorticity (PV) leads to a non-axisymmetric Kelvin-Helmholtz (KH) instability; in the short-wavelength limit its growth rate agrees with the incompressible calculation by Lithwick, which only considers perturbations elongated in the streamwise direction. The instability's strength is analysed as a function of the structure's properties, and zonal flows are found to be stable if their wavelength is ≳8 H, where H is the disc's scaleheight, regardless of the value of the adiabatic index γ. The non-axisymmetric KH instability can operate in Rayleigh-stable conditions, and it therefore represents the limiting factor to the structure's properties. Introducing SG triggers a second non-axisymmetric instability, which is found to be located around a PV maximum, while the KH instability is linked to a PV minimum, as expected. In the adiabatic regime, the same gravitational instability is detected even when the structure is present only in the entropy (not in the PV) and the instability spreads to weaker SG conditions as the entropy structure's amplitude is increased. This eventually yields a non-axisymmetric instability in the non-SG regime, albeit of weak strength, localized around an entropy maximum.

  7. Challenges imposed by International Environmental Law to Classical International Law

    Directory of Open Access Journals (Sweden)

    Fabian Augusto Cárdenas Castañeda

    2010-05-01

    Full Text Available The emergence of international environmental law has produced important challenges to the very foundations of public international law. Traditional concepts such as state sovereignty, subjects of international law, and the early perspectives of national security are being transformed. The needs of the contemporary international society differ from the ones of the Wesphalian conception, situations which clearly explains the raise of alternative views for the understanding of the current dynamics of international law, where concepts like res communis, common concerns and simply “commons” take a privileged place in the study of international law. The foregoing has been strengthened by the international development of the so called erga ommnes obligations, label which is being used by international environmental law as the perfect explanation of its own existence. This academic article presents and studies the abovementioned concepts trying to compare what international law used to be before the emergence of international environmental law and what it is and what it should be in order to attend the developments and challenges imposed by the contemporary international society, particularly by international environmental law, a new fi eld of the corpus juris of public international law.

  8. Terrestrial locomotion imposes high metabolic requirements on bats.

    Science.gov (United States)

    Voigt, Christian C; Borrisov, Ivailo M; Voigt-Heucke, Silke L

    2012-12-15

    The evolution of powered flight involved major morphological changes in Chiroptera. Nevertheless, all bats are also capable of crawling on the ground and some are even skilled sprinters. We asked if a highly derived morphology adapted for flapping flight imposes high metabolic requirements on bats when moving on the ground. We measured the metabolic rate during terrestrial locomotion in mastiff bats, Molossus currentium, a species that is both a fast-flying aerial-hawking bat and an agile crawler on the ground. Metabolic rates of bats averaged 8.0±4.0 ml CO(2) min(-1) during a 1-min period of sprinting at 1.3±0.6 km h(-1). With rising average speed, mean metabolic rates increased, reaching peak values that were similar to those of flying conspecifics. Metabolic rates of M. currentium were higher than those of similar-sized rodents that sprinted at similar velocities under steady-state conditions. When M. currentium sprinted at peak velocities, its aerobic metabolic rate was 3-5 times higher than those of rodent species running continuously in steady-state conditions. Costs of transport (J kg(-1) m(-1)) were more than 10 times higher for running than for flying bats. We conclude that at the same speed bats experience higher metabolic rates during short sprints than quadruped mammals during steady-state terrestrial locomotion, yet running bats achieve higher maximal mass-specific aerobic metabolic rates than non-volant mammals such as rodents.

  9. ACID SPLASH: QISAS PUNISHMENT TO BE IMPOSED AGAINST THE OFFENDER

    Directory of Open Access Journals (Sweden)

    Mohammed Farid Huzaimi

    2013-02-01

    Full Text Available In Islamic countries, there are cases where a court has given punishment to an acid splasher to be punished by acid as well. In 2004, an Iranian woman was blinded with acid by her suitor for turning down his marriage proposal. Four years later, the Iranian court sentenced the offender to be blinded in both eyes for taking away the woman’s sight under the retribution principle permitted under Iran’s Islamic law. This case’s decision has regularly been objected as the punishment seems inhuman. This paper will discuss in detail the nature of the offence and the punishment imposed in Islamic perspective. Terdapat beberapa kasus di negara-negara Islam di mana pengadilan memberikan hukuman pembalasan terhadap terdakwa yang menyiram cairan asam ke tubuh orang lain. Pada tahun 2004, seorang perempuan Iran dibutakan dengan asam oleh peminangnya setelah si perempuan menolak lamaran pria tersebut. Empat tahun setelahnya, pengadilan di Iran memutuskan untuk menghukum pria tersebut dengan hukuman yang sama, yaitu dibutakan dengan asam. Hukuman ini dijatuhkan dengan dasar asas retribusi menurut hukum Islam di Iran. Putusan hakim dalam kasus ini telah menuai kritik karena hukuman tersebut dianggap tidak berperikemanusiaan. Artikel ini akan membahas lebih dalam tentang perbuatan menyiram cairan asam dan hukuman pembalasan menurut perspektif Islam.

  10. Imposing spatio-temporal support in magnetic resonance angiographic imaging

    Science.gov (United States)

    Bones, Philip J.; Vafadar, Bahareh; Watts, Richard; Wu, Bing

    2010-08-01

    A method to improve time resolution in 3D contrast-enhanced magnetic resonance angiography (CE-MRA) is proposed. A temporal basis based on prior knowledge of the contrast flow dynamics is applied to a sequence of image reconstructions. In CE-MRA a contrast agent (gadolinium) is injected into a peripheral vein and MR data is acquired as the agent arrives in the arteries and then the veins of the region of clinical interest. The acquisition extends over several minutes. Information is effectively measured in 3D k-space (spatial frequency space) one line at-atime. That line may be along a Cartesian grid line in k-space, a radial line or a spiral trajectory. A complete acquisition comprises many such lines but in order to improve temporal resolution, reconstructions are made from only partial sets of k-space data. By imposing a basis for the temporal changes, based on prior expectation of the smoothness of the changes in contrast concentration with time, it is demonstrated that a significant reduction in artifacts caused by the under-sampling of k-space can be achieved. The basis is formed from a set of gamma variate functions. Results are presented for a simulated set of 2D spiral-sampled CE-MRA data.

  11. An Imposed Dynamo Current Drive Experiment: Demonstration of Confinement

    Science.gov (United States)

    Jarboe, Thomas; Hansen, Chris; Hossack, Aaron; Marklin, George; Morgan, Kyle; Nelson, Brian; Sutherland, Derek; Victor, Brian

    2014-10-01

    An experiment for studying and developing the efficient sustainment of a spheromak with sufficient confinement (current-drive power heats the plasma to its stability β-limit) and in the keV temperature range is discussed. A high- β spheromak sustained by imposed dynamo current drive (IDCD) is justified because: previous transient experiments showed sufficient confinement in the keV range with no external toroidal field coil; recent results on HIT-SI show sustainment with sufficient confinement at low temperature; the potential of IDCD of solving other fusion issues; a very attractive reactor concept; and the general need for efficient current drive in magnetic fusion. The design of a 0.55 m minor radius machine with the required density control, wall loading, and neutral shielding for a 2 s pulse is presented. Peak temperatures of 1 keV and toroidal currents of 1.35 MA and 16% wall-normalized plasma beta are envisioned. The experiment is large enough to address the key issues yet small enough for rapid modification and for extended MHD modeling of startup and code validation.

  12. Externally imposed electric field enhances plant root tip regeneration

    Science.gov (United States)

    Kral, Nicolas; Hanna Ougolnikova, Alexandra

    2016-01-01

    Abstract In plants, shoot and root regeneration can be induced in the distinctive conditions of tissue culture (in vitro) but is also observed in intact individuals (in planta) recovering from tissue damage. Roots, for example, can regenerate their fully excised meristems in planta, even in mutants with impaired apical stem cell niches. Unfortunately, to date a comprehensive understanding of regeneration in plants is still missing. Here, we provide evidence that an imposed electric field can perturb apical root regeneration in Arabidopsis. Crucially, we explored both spatial and temporal competences of the stump to respond to electrical stimulation, by varying respectively the position of the cut and the time interval between excision and stimulation. Our data indicate that a brief pulse of an electric field parallel to the root is sufficient to increase by up to two‐fold the probability of its regeneration, and to perturb the local distribution of the hormone auxin, as well as cell division regulation. Remarkably, the orientation of the root towards the anode or the cathode is shown to play a role. PMID:27606066

  13. Non-axisymmetric instabilities in discs with imposed zonal flows

    CERN Document Server

    Vanon, R

    2016-01-01

    We conduct a linear stability calculation of an ideal Keplerian flow on which a sinusoidal zonal flow is imposed. The analysis uses the shearing sheet model and is carried out both in isothermal and adiabatic conditions, with and without self-gravity (SG). In the non-SG regime a structure in the potential vorticity (PV) leads to a non-axisymmetric Kelvin-Helmholtz (KH) instability; in the short-wavelength limit its growth rate agrees with the incompressible calculation by Lithwick (2007), which only considers perturbations elongated in the streamwise direction. The instability's strength is analysed as a function of the structure's properties, and zonal flows are found to be stable if their wavelength is $\\gtrsim 8H$, where $H$ is the disc's scale height, regardless of the value of the adiabatic index $\\gamma$. The non-axisymmetric KH instability can operate in Rayleigh-stable conditions, and it therefore represents the limiting factor to the structure's properties. Introducing SG triggers a second non-axisym...

  14. The corporation and the community: Credibility, legitimacy, and imposed risk

    Energy Technology Data Exchange (ETDEWEB)

    Wade, C. (ed.) (Los Alamos National Lab., NM (United States)); Rosenthal, I. (Pennsylvania Univ., Philadelphia, PA (United States). Center for Risk and Decision Processes)

    1991-10-01

    In this age of rapid changes, large segments of society no longer trust any institution or authority in regard to pronouncements on what is safe. Because of this distrust, the public has demanded and obtained increased rights for individuals to intervene directly in decisions affecting them. Rosenthal warns that an organization that just fulfills its legal requirements for safety is no longer doing enough. Industry leaders must work toward re-establishing credibility by identifying persons who are potentially at risk as a result of industry activities, involving them in the communication process, and justifying the firm's social benefits. Seeking social legitimacy, chemical manufacturers have formed self-assessment groups and community councils, which have reaped unexpected benefits but have forced them to deal with issues they would have preferred to avoid. To industry leaders who contend that these types of activities are not worth the effort, Rosenthal presents a timely warning. Government and business must reduce public concerns significantly and make stakeholders more willing to tolerate imposed risk because of perceived benefits. It the public's concern is not reduced, we will all be required to make greater and greater investments in an inefficient and largely fruitless pursuit of absolute safety. 16 refs.

  15. 26 CFR 1.1374-1A - Tax imposed on certain capital gains.

    Science.gov (United States)

    2010-04-01

    ... TAX (CONTINUED) INCOME TAXES Section 1374 Before the Tax Reform Act of 1986 § 1.1374-1A Tax imposed on... 1374 imposes a tax (computed under paragraph (b) of this section) on the income of such corporation..., or (2) An amount equal to the tax which would be imposed by section 11 on the taxable income of the...

  16. 76 FR 416 - Application and Renewal Fees Imposed on Surety Companies and Reinsuring Companies Increase in...

    Science.gov (United States)

    2011-01-04

    ... Fiscal Service Application and Renewal Fees Imposed on Surety Companies and Reinsuring Companies Increase.... ACTION: Application and Renewal Fees Imposed on Surety Companies and Reinsuring Companies Increase in... Management Service, is increasing the fees it imposes on and collects from surety companies and reinsuring...

  17. 75 FR 1683 - Application and Renewal Fees Imposed on Surety Companies and Reinsuring Companies; Increase in...

    Science.gov (United States)

    2010-01-12

    ...; Increase in Fees Imposed AGENCY: Financial Management Service, Fiscal Service, Department of the Treasury. ACTION: Application and renewal fees imposed on surety companies and reinsuring companies; Increase in... Management Service, is increasing the fees it imposes on and collects from surety companies and reinsuring...

  18. 26 CFR 52.4681-1 - Taxes imposed with respect to ozone-depleting chemicals.

    Science.gov (United States)

    2010-04-01

    ...)) for the calendar year in which the sale or use occurs; and (iii) The ozone-depletion factor... 26 Internal Revenue 17 2010-04-01 2010-04-01 false Taxes imposed with respect to ozone-depleting... to ozone-depleting chemicals. (a) Taxes imposed. Sections 4681 and 4682 impose the following taxes...

  19. 42 CFR 460.40 - Violations for which CMS may impose sanctions.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Violations for which CMS may impose sanctions. 460... for which CMS may impose sanctions. In addition to other remedies authorized by law, CMS may impose any of the sanctions specified in §§ 460.42 and 460.46 if CMS determines that a PACE...

  20. Climate response to imposed solar radiation reductions in high latitudes

    Directory of Open Access Journals (Sweden)

    M. C. MacCracken

    2012-07-01

    Full Text Available Increasing concentrations of greenhouse gases are the primary contributor to the 0.8 °C increase in the global average temperature since the late 19th century, shortening cold seasons and lengthening warm seasons. The warming is amplified in polar regions, causing retreat of sea ice, snow cover, permafrost, mountain glaciers, and ice sheets, while also modifying mid-latitude weather, amplifying global sea level rise, and initiating high-latitude carbon feedbacks. Model simulations in which we reduced solar insolation over high latitudes not only cooled those regions, but also drew energy from lower latitudes, exerting a cooling influence over much of the hemisphere in which the reduction was imposed. Our simulations, which used the National Center for Atmospheric Research's CAM3.1 atmospheric model coupled to a slab ocean, indicated that, on a normalized basis, high-latitude reductions in absorbed solar radiation have a significantly larger cooling influence than equivalent solar reductions spread evenly over the Earth. This amplified influence occurred because high-latitude surface cooling preferentially increased sea ice fraction and, therefore, surface albedo, leading to a larger deficit in the radiation budget at the top of the atmosphere than from an equivalent global reduction in solar radiation. Reductions in incoming solar radiation in one polar region (either north or south resulted in increased poleward energy transport during that hemisphere's cold season and shifted the Inter-Tropical Convergence Zone (ITCZ away from that pole, whereas equivalent reductions in both polar regions tended to leave the ITCZ approximately in place. Together, these results suggest that, until emissions reductions are sufficient to limit the warming influence of greenhouse gas concentrations, polar reductions in solar radiation, if they can be efficiently and effectively implemented, might, because of fewer undesirable side effects than for global solar

  1. Crystallographic B factor of critical residues at enzyme active site

    Institute of Scientific and Technical Information of China (English)

    张海龙; 宋时英; 林政炯

    1999-01-01

    Thirty-seven sets of crystallographic enzyme data were selected from Protein Data Bank (PDB, 1995). The average temperature factors (B) of the critical residues at the active site and the whole molecule of those enzymes were calculated respectively. The statistical results showed that the critical residues at the active site of most of the enzymes had lower B factors than did the whole molecules, indicating that in the crystalline state the critical residues at the active site of the natural enzymes possess more stable conformation than do the whole molecules. The flexibility of the active site during the unfolding by denaturing was also discussed.

  2. Proteomic Comparison between Maturation Drying and Prematurely Imposed Drying of Zea mays Seeds Reveals a Potential Role of Maturation Drying in Preparing Proteins for Seed Germination, Seedling Vigor, and Pathogen Resistance

    DEFF Research Database (Denmark)

    Wang, Wei-Qing; Ye, Jian-Qing; Rogowska-Wrzesinska, Adelina

    2014-01-01

    We have studied the role(s) of maturation drying in the acquisition of germinability, seedling vigor and pathogen resistance by comparing the proteome changes in maize embryo and endosperm during mature and prematurely imposed drying. Prematurely imposed dried seeds at 40 days after pollination...... (DAP) germinated almost as well as mature seeds (at 65 DAP), but their seedling growth was slower and they were seriously infected by fungi. A total of 80 and 114 proteins were identified to change at least two-fold (p ... abundant in this group and may contribute to the acquisition of seed germinability. However, a relatively large number of proteins changed in the embryo (47 spots) and endosperm (76 spots) specifically during maturation drying. Among these proteins, storage proteins in the embryo and defense proteins...

  3. Proteomic comparison between maturation drying and prematurely imposed drying of Zea mays seeds reveals a potential role of maturation drying in preparing proteins for seed germination, seedling vigor, and pathogen resistance.

    Science.gov (United States)

    Wang, Wei-Qing; Ye, Jian-Qing; Rogowska-Wrzesinska, Adelina; Wojdyla, Katarzyna I; Jensen, Ole Nørregaard; Møller, Ian Max; Song, Song-Quan

    2014-02-07

    We have studied the role(s) of maturation drying in the acquisition of germinability, seedling vigor and pathogen resistance by comparing the proteome changes in maize embryo and endosperm during mature and prematurely imposed drying. Prematurely imposed dried seeds at 40 days after pollination (DAP) germinated almost as well as mature seeds (at 65 DAP), but their seedling growth was slower and they were seriously infected by fungi. A total of 80 and 114 proteins were identified to change at least two-fold (p seed germinability. However, a relatively large number of proteins changed in the embryo (47 spots) and endosperm (76 spots) specifically during maturation drying. Among these proteins, storage proteins in the embryo and defense proteins in the endosperm may be particularly important for seedling vigor and resistance to fungal infection, respectively.

  4. Crystallographic Orientation Effect on Electromigration in Ni-Sn Microbump

    Science.gov (United States)

    Huang, Yi-Ting; Chen, Chih-Hao; Chakroborty, Subhendu; Wu, Albert T.

    2017-09-01

    This article addresses the reliability challenges regarding electromigration in developing three-dimensional integrated circuits (3D-ICs). The line-type sandwich structure of Ni/Sn3.5Ag(15 μm)/Ni was used to simulate microbumps to examine the reliability of electromigration in 3D-IC technology. The solder strip of Ni/Sn3.5Ag(15 μm)/Ni was stressed with a current density of 1.0 × 104 A/cm2 at 150°C. The current stressing enhanced the reaction between the solder and Ni to form Ni3Sn4, which occupied the entire joint and transformed into a Ni/Ni3Sn4/Ni structure when the solder was completely consumed. Electron backscatter diffraction was used to analyze the crystallographic characteristics of Sn and Ni3Sn4 as related to the electromigration effect. The results indicated that the crystallographic orientation of Sn plays a significant role in the Ni/Sn3.5Ag/Ni, whereas the orientation of Ni3Sn4 is the dominant factor of diffusion behavior in the Ni/Ni3Sn4/Ni.

  5. Crystallographic properties of magnetron sputtered barium ferrite films

    Energy Technology Data Exchange (ETDEWEB)

    Capraro, S. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France)]. E-mail: stephane.capraro@univ-st-etienne.fr; Berre, M. Le [LPM, UMR 5511, INSA Lyon, 7 av. Jean Capelle, 69621 Villeurbanne Cedex (France); Chatelon, J.P. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France); Bayard, B. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France); Joisten, H. [CEA-LETI, 17 rue des martyrs, 38041 Grenoble Cedex (France); Canut, C. [LPMCN, University Lyon I, 43 Bvd. du 11 novembre 1918, 69622 Villerbanne, Cedex (France); Barbier, D. [LPM, UMR 5511, INSA Lyon, 7 av. Jean Capelle, 69621 Villeurbanne Cedex (France); Rousseau, J.J. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France)

    2004-09-15

    The development of devices combining a ferrite with a semiconductor chip is a major focus of current research. Barium hexaferrite (BaFe{sub 12}O{sub 19} or BaM) thick films are deposited here using a RF magnetron sputtering system. Films are amorphous and non magnetic after deposition. Post-deposition thermal annealing is employed to make the films crystallize. The effects of the substrate, thermal annealing process, thickness, substrate temperature on crystallographic properties and stoichiometry are studied using a X-ray diffractometry (XRD) and Rutherford back-scattering (RBS). The in-depth homogeneity of Ba, Fe and O is evaluated by secondary ion mass spectroscopy (SIMS). The study shows a good crystallization of BaM films and there is a preferential orientation among the crystallographic planes (1 0 1), (2 0 0), (2 0 3), (1 0 2), (1 1 0) and (2 0 5) when BaM films are prepared at low RF power and when the substrate is heated. For several elaboration parameters, grains size is in the range of 25 and 40 nm and BaM films are stoichiometric with regard to the target stoichiometry.

  6. Crystallographic Orientation Effect on Electromigration in Ni-Sn Microbump

    Science.gov (United States)

    Huang, Yi-Ting; Chen, Chih-Hao; Chakroborty, Subhendu; Wu, Albert T.

    2017-07-01

    This article addresses the reliability challenges regarding electromigration in developing three-dimensional integrated circuits (3D-ICs). The line-type sandwich structure of Ni/Sn3.5Ag(15 μm)/Ni was used to simulate microbumps to examine the reliability of electromigration in 3D-IC technology. The solder strip of Ni/Sn3.5Ag(15 μm)/Ni was stressed with a current density of 1.0 × 104 A/cm2 at 150°C. The current stressing enhanced the reaction between the solder and Ni to form Ni3Sn4, which occupied the entire joint and transformed into a Ni/Ni3Sn4/Ni structure when the solder was completely consumed. Electron backscatter diffraction was used to analyze the crystallographic characteristics of Sn and Ni3Sn4 as related to the electromigration effect. The results indicated that the crystallographic orientation of Sn plays a significant role in the Ni/Sn3.5Ag/Ni, whereas the orientation of Ni3Sn4 is the dominant factor of diffusion behavior in the Ni/Ni3Sn4/Ni.

  7. Crystallographic alignment of high-density gallium nitride nanowire arrays.

    Science.gov (United States)

    Kuykendall, Tevye; Pauzauskie, Peter J; Zhang, Yanfeng; Goldberger, Joshua; Sirbuly, Donald; Denlinger, Jonathan; Yang, Peidong

    2004-08-01

    Single-crystalline, one-dimensional semiconductor nanostructures are considered to be one of the critical building blocks for nanoscale optoelectronics. Elucidation of the vapour-liquid-solid growth mechanism has already enabled precise control over nanowire position and size, yet to date, no reports have demonstrated the ability to choose from different crystallographic growth directions of a nanowire array. Control over the nanowire growth direction is extremely desirable, in that anisotropic parameters such as thermal and electrical conductivity, index of refraction, piezoelectric polarization, and bandgap may be used to tune the physical properties of nanowires made from a given material. Here we demonstrate the use of metal-organic chemical vapour deposition (MOCVD) and appropriate substrate selection to control the crystallographic growth directions of high-density arrays of gallium nitride nanowires with distinct geometric and physical properties. Epitaxial growth of wurtzite gallium nitride on (100) gamma-LiAlO(2) and (111) MgO single-crystal substrates resulted in the selective growth of nanowires in the orthogonal [1\\[Evec]0] and [001] directions, exhibiting triangular and hexagonal cross-sections and drastically different optical emission. The MOCVD process is entirely compatible with the current GaN thin-film technology, which would lead to easy scale-up and device integration.

  8. Diffusion-equation method for crystallographic figure of merits.

    Science.gov (United States)

    Markvardsen, Anders J; David, William I F

    2010-09-01

    Global optimization methods play a significant role in crystallography, particularly in structure solution from powder diffraction data. This paper presents the mathematical foundations for a diffusion-equation-based optimization method. The diffusion equation is best known for describing how heat propagates in matter. However, it has also attracted considerable attention as the basis for global optimization of a multimodal function [Piela et al. (1989). J. Phys. Chem. 93, 3339-3346]. The method relies heavily on available analytical solutions for the diffusion equation. Here it is shown that such solutions can be obtained for two important crystallographic figure-of-merit (FOM) functions that fully account for space-group symmetry and allow the diffusion-equation solution to vary depending on whether atomic coordinates are fixed or not. The resulting expression is computationally efficient, taking the same order of floating-point operations to evaluate as the starting FOM function measured in terms of the number of atoms in the asymmetric unit. This opens the possibility of implementing diffusion-equation methods for crystallographic global optimization algorithms such as structure determination from powder diffraction data.

  9. Crystallographic studies of gas sorption in metal–organic frameworks

    Science.gov (United States)

    Carrington, Elliot J.; Vitórica-Yrezábal, Iñigo J.; Brammer, Lee

    2014-01-01

    Metal–organic frameworks (MOFs) are a class of porous crystalline materials of modular design. One of the primary applications of these materials is in the adsorption and separation of gases, with potential benefits to the energy, transport and medical sectors. In situ crystallography of MOFs under gas atmospheres has enabled the behaviour of the frameworks under gas loading to be investigated and has established the precise location of adsorbed gas molecules in a significant number of MOFs. This article reviews progress in such crystallographic studies, which has taken place over the past decade, but has its origins in earlier studies of zeolites, clathrates etc. The review considers studies by single-crystal or powder diffraction using either X-rays or neutrons. Features of MOFs that strongly affect gas sorption behaviour are discussed in the context of in situ crystallographic studies, specifically framework flexibility, and the presence of (organic) functional groups and unsaturated (open) metal sites within pores that can form specific interactions with gas molecules. PMID:24892587

  10. Crystallographic shear mechanisms in Rh one-dimensional oxides

    Science.gov (United States)

    Hernando, María; Boulahya, Khalid; Parras, Marina; González-Calbet, José M.

    2005-02-01

    Electron diffraction and high resolution electron microscopy have been used to characterize two new one-dimensional superstructures in the A sbnd Rh sbnd O system (A = Ca, Sr) related to the 2H-ABO 3-type. They are formed by the intergrowth of n A 3A'BO 6 blocks, showing the Sr 4RhO 6-type, with A 12A' 2B 8O 30 blocks, constituted by two A 3O 9 and two A 3A'O 6 layers alternating in the stacking sequence 1:1, leading to the A 27A' 7B 13O 60 ( n=5) and A 30A' 8B 14O 66 ( n=6) compositions. A crystallographic shear mechanism is proposed to describe the structural relationship between Sr 4RhO 6 (A 3A'BO 6-type) and the new superstructures.

  11. 3D characterization of crystallographic orientation in polycrystals via EBSD

    Institute of Scientific and Technical Information of China (English)

    Stefan ZAEFFERER; Stuart I. WRIGHT

    2007-01-01

    Electron Backscatter Diffraction (EBSD) has been used in conjunction with a Scanning Electron Microscope (SEM) combined with a focused ion beam (FIB) instrument to obtain three dimensional (3D) high resolution characterizations of crystalline microstructures. This work reports on continued development that has proceeded on this technique. The technique is based on automated in-situ serial sectioning using the FIB and characterization of the sections using automated EBSD or orientation imaging microscopy (OIM). The technique extends the powerful features of two dimensional OIM into the third spatial dimension. This allows additional descriptive microstructural parameters to be obtained, for example the morphology and the crystallographic indices of interface planes. This paper provides an overview of the technique and shows results from two different samples: pearlite colonies in a high carbon steel and twin related grain triplets in a NiCo thin film.

  12. Crystallographic texturing in Nb3Sn multifilamentary superconducting composites

    Science.gov (United States)

    Cogan, Stuart F.; Rose, Robert M.

    1980-03-01

    Crystallographic texturing in Nb3Sn composites, fabricated by both the external diffusion and the commercial bronze processes, has been investigated. In the external-diffusion-processed composite the as-drawn texture of the copper matrix contained ca. 55% and 45% ; after recrystallization at 650 °C for 16 h this changed to 70% and 30% . Tin plating and reaction heat treatment for 40 h at 650 °C eliminated most of the texturing. In a commercial bronze-processed composite a or texture was obtained in the as-drawn bronze matrix, and after a reaction heat treatment at 700 °C for 30 h a diffuse texture was developed. In both composites the Nb3Sn reaction layer exhibited no preferred orientation.

  13. Ocean acidification reduces the crystallographic control in juvenile mussel shells.

    Science.gov (United States)

    Fitzer, Susan C; Cusack, Maggie; Phoenix, Vernon R; Kamenos, Nicholas A

    2014-10-01

    Global climate change threatens the oceans as anthropogenic carbon dioxide causes ocean acidification and reduced carbonate saturation. Future projections indicate under saturation of aragonite, and potentially calcite, in the oceans by 2100. Calcifying organisms are those most at risk from such ocean acidification, as carbonate is vital in the biomineralisation of their calcium carbonate protective shells. This study highlights the importance of multi-generational studies to investigate how marine organisms can potentially adapt to future projected global climate change. Mytilus edulis is an economically important marine calcifier vulnerable to decreasing carbonate saturation as their shells comprise two calcium carbonate polymorphs: aragonite and calcite. M. edulis specimens were cultured under current and projected pCO2 (380, 550, 750 and 1000μatm), following 6months of experimental culture, adults produced second generation juvenile mussels. Juvenile mussel shells were examined for structural and crystallographic orientation of aragonite and calcite. At 1000μatm pCO2, juvenile mussels spawned and grown under this high pCO2 do not produce aragonite which is more vulnerable to carbonate under-saturation than calcite. Calcite and aragonite were produced at 380, 550 and 750μatm pCO2. Electron back scatter diffraction analyses reveal less constraint in crystallographic orientation with increased pCO2. Shell formation is maintained, although the nacre crystals appear corroded and crystals are not so closely layered together. The differences in ultrastructure and crystallography in shells formed by juveniles spawned from adults in high pCO2 conditions may prove instrumental in their ability to survive ocean acidification. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Surbella, Robert G. [Department; Ducati, Lucas C. [Department; Pellegrini, Kristi L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; McNamara, Bruce K. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Autschbach, Jochen [Department; Schwantes, Jon M. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Cahill, Christopher L. [Department

    2017-07-26

    A family of twelve supramolecular [AnO2Cl4]2- (An = U, Np, Pu) containing compounds assembled via hydrogen and halogen bonds donated by substituted 4-X-pyridinium cations (X = H, Cl, Br, I) is reported. These materials were prepared from a room-temperature synthesis wherein crystallization of unhydrolyzed and valence pure [An(VI)O2Cl4]2- (An = U, Np, Pu) tectons are the norm. We present a hierarchy of assembly criteria based on crystallographic observations, and subsequently quantify the strengths of the non-covalent interactions using Kohn-Sham density functional calculations. We provide, for the first time, a detailed description of the electrostatic potentials (ESPs) of the actinyl tetrahalide dianions and reconcile crystallographically observed structural motifs and non-covalent interaction (NCI) acceptor-donor pairings. Our findings indicate that the average electrostatic potential across the halogen ligands (the acceptors) changes by only ~2 kJ mol-1 across the AnO22+ series, indicating the magnitude of the potential is independent of the metal center. The role of the cation is therefore critical in directing structural motifs and dictating the resulting hydrogen and halogen bond strengths, the former being stronger due to the positive charge centralized on the pyridyl nitrogen N-H+. Subsequent analyses using the Quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) approaches support this conclusion and highlight the structure directing role of the cations. Whereas one can infer that the 2 Columbic attraction is the driver for assembly, the contribution of the non-covalent interaction is to direct the molecular-level arrangement (or disposition) of the tectons.

  15. Imposed work of breathing during high-frequency oscillatory ventilation : a bench study

    NARCIS (Netherlands)

    van Heerde, Marc; van Genderingen, Huib R.; Leenhoven, Tom; Roubik, Karel; Ploetz, Frans B.; Markhorst, Dick G.

    2006-01-01

    Introduction The ventilator and the endotracheal tube impose additional workload in mechanically ventilated patients breathing spontaneously. The total work of breathing (WOB) includes elastic and resistive work. In a bench test we assessed the imposed WOB using 3100 A/3100 B SensorMedics high-frequ

  16. 26 CFR 1.802-3 - Tax imposed on life insurance companies.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 8 2010-04-01 2010-04-01 false Tax imposed on life insurance companies. 1.802-3... TAX (CONTINUED) INCOME TAXES Life Insurance Companies § 1.802-3 Tax imposed on life insurance... tax on the life insurance company taxable income (as defined in section 802(b) and paragraph (a)...

  17. 42 CFR 422.756 - Procedures for imposing intermediate sanctions and civil money penalties.

    Science.gov (United States)

    2010-10-01

    ... instances where marketing or enrollment or both intermediate sanctions have been imposed, CMS may require an... assist CMS in making a determination as to whether the deficiencies that are the bases for the....752(c)(1), CMS will send a written notice of the Agency's decision to impose a civil money penalty...

  18. 26 CFR 1.665(d)-1A - Taxes imposed on the trust.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 8 2010-04-01 2010-04-01 false Taxes imposed on the trust. 1.665(d)-1A Section... TAX (CONTINUED) INCOME TAXES Treatment of Excess Distributions of Trusts Applicable to Taxable Years Beginning on Or After January 1, 1969 § 1.665(d)-1A Taxes imposed on the trust. (a) In general. (1)...

  19. 26 CFR 1.665(d)-1 - Taxes imposed on the trust.

    Science.gov (United States)

    2010-04-01

    ... 26 Internal Revenue 8 2010-04-01 2010-04-01 false Taxes imposed on the trust. 1.665(d)-1 Section 1... (CONTINUED) INCOME TAXES Treatment of Excess Distributions of Trusts Applicable to Taxable Years Beginning Before January 1, 1969 § 1.665(d)-1 Taxes imposed on the trust. (a) For the purpose of subpart D...

  20. 42 CFR 423.758 - Collection of civil money penalties imposed by CMS.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 3 2010-10-01 2010-10-01 false Collection of civil money penalties imposed by CMS... Intermediate Sanctions § 423.758 Collection of civil money penalties imposed by CMS. (a) When a Part D plan sponsor does not request a hearing CMS initiates collection of the civil money penalty following...

  1. 42 CFR 422.758 - Collection of civil money penalties imposed by CMS.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 3 2010-10-01 2010-10-01 false Collection of civil money penalties imposed by CMS... § 422.758 Collection of civil money penalties imposed by CMS. (a) When an MA organization does not request a hearing, CMS initiates collection of the civil money penalty following the expiration of...

  2. Crystallographic control on early stages of cataclasis in carbonate fault gouges

    Science.gov (United States)

    Demurtas, Matteo; Smith, Steven A. F.; Fondriest, Michele; Spagnuolo, Elena; Di Toro, Giulio

    2017-04-01

    Carbonates are a recurring lithology in most of active seismic areas worldwide, such as the Apennines (Italy). Here, typical fault products are gouges and cataclasites made of mixtures of carbonate minerals (i.e., calcite and dolomite) that occasionally exhibit a foliation. Natural fault gouges often contain minerals with strong anisotropies, such as cleavage surfaces in phyllosilicates and carbonates. Therefore, the understanding of the role of such anisotropies during shearing is important to develop realistic microphysical models of brittle fragmentation and grain size reduction. Here we present results of microstructural and coupled EDS-EBSD (Energy Dispersive Spectroscopy - Electron Backscattered Diffraction) analysis on mixtures (50/50wt%) of calcite-dolomite gouges deformed experimentally in a rotary shear apparatus (SHIVA, INGV-Rome) at room temperature under constant normal stress of 17.5 MPa and slip rates of 30 µm/s to 1 m/s. The EDS-EBSD analysis was focused on the gouge layer underlying the slip zone, which has been previously demonstrated to accommodate low finite shear strain during deformation. At all investigated slip rates, calcite develops a crystallographic preferred orientation (CPO) on the (0001) plane, with the c-axis inclined subparallel to the principal stress and the [-1-120] direction forming a girdle perpendicular to it. Texture strength typically increases with slip rate and appears not to be influenced by the presence of water or foliation development in the gouge during deformation. Misorientation analysis suggests twinning as the principal crystallographic active deformation mechanism. Instead, dolomite grains do not develop a CPO. Microfractures are closely spaced, mainly oriented subparallel to the principal stress and rarely exploit calcite twin planes. The latter typically occur at high angle with respect to fractures, are oriented consistently with the sense of shear and almost orthogonal to the principal stress. Calcite grains

  3. Critique of the two-fold measure of prediction success for ratios: application for the assessment of drug-drug interactions.

    Science.gov (United States)

    Guest, Eleanor J; Aarons, Leon; Houston, J Brian; Rostami-Hodjegan, Amin; Galetin, Aleksandra

    2011-02-01

    Current assessment of drug-drug interaction (DDI) prediction success is based on whether predictions fall within a two-fold range of the observed data. This strategy results in a potential bias toward successful prediction at lower interaction levels [ratio of the area under the concentration-time profile (AUC) in the presence of inhibitor/inducer compared with control is assessment of different DDI prediction algorithms if databases contain large proportion of interactions in this lower range. Therefore, the current study proposes an alternative method to assess prediction success with a variable prediction margin dependent on the particular AUC ratio. The method is applicable for assessment of both induction and inhibition-related algorithms. The inclusion of variability into this predictive measure is also considered using midazolam as a case study. Comparison of the traditional two-fold and the new predictive method was performed on a subset of midazolam DDIs collated from previous databases; in each case, DDIs were predicted using the dynamic model in Simcyp simulator. A 21% reduction in prediction accuracy was evident using the new predictive measure, in particular at the level of no/weak interaction (AUC ratio assessed via the new predictive measure. Thus, the study proposes a more logical method for the assessment of prediction success and its application for induction and inhibition DDIs.

  4. An introduction to the tools hosted in the Bilbao Crystallographic Server

    Directory of Open Access Journals (Sweden)

    Aroyo M.I.

    2012-03-01

    Full Text Available The programs hosted in the Bilbao Crystallographic Server (http://www.cryst.ehu.es are briefly explained along with worked examples on various cases related to different fields of applications. It is our aim to have this text acting as a primer on the various usage of the crystallographic tools in conjunction with each other due to the modular structure of the server. For this reason, diverse topics such as crystallographic groups and their subgroups, pseudosymmetry, extinction conditions, k-vectors and irreducible representations have been discussed in the context.

  5. Nanocrystalline materials: recent advances in crystallographic characterization techniques

    Directory of Open Access Journals (Sweden)

    Emilie Ringe

    2014-11-01

    Full Text Available Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR, the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask `how are nanoshapes created?', `how does the shape relate to the atomic packing and crystallography of the material?', `how can we control and characterize the external shape and crystal structure of such small nanocrystals?'. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed.

  6. Pulsed neutron spectroscopic imaging for crystallographic texture and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Hirotaka, E-mail: hakuryu@eng.hokudai.ac.jp [Graduate School of Engineering, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Kamiyama, Takashi [Graduate School of Engineering, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Iwase, Kenji; Ishigaki, Toru [Frontier Research Center for Applied Atomic Sciences, Ibaraki University, Ibaraki 319-1106 (Japan); Kiyanagi, Yoshiaki [Graduate School of Engineering, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan)

    2011-09-21

    A time-of-flight (TOF) spectroscopic neutron imaging at a pulsed neutron source is expected to be a new material analysis tool because this method can non-destructively investigate the spatial dependence of the crystallographic and metallographic information in a bulk material. For quantitative evaluation of such information, a spectral analysis code for the transmission data is necessary. Therefore, we have developed a Rietveld-like analysis code, RITS. Furthermore, we have applied the RITS code to evaluation of the position dependence of the crystal orientation anisotropy, the preferred orientation and the crystallite size of a welded {alpha}-iron plate, and we successfully obtained the information on the texture and the microstructure. However, the reliability of the values given by the RITS code has not been evaluated yet in detail. For this reason, we compared the parameters provided by the RITS code with the parameters obtained by the neutron TOF powder diffractometry and its Rietveld analysis. Both the RITS code and the Rietveld analysis software indicated values close to each other, but there were systematic differences on the preferred orientation and the crystallite size.

  7. Crystallographic structure of ubiquitin in complex with cadmium ions

    Directory of Open Access Journals (Sweden)

    Cheung Peter

    2009-12-01

    Full Text Available Abstract Background Ubiquitination plays a critical role in regulating many cellular processes, from DNA repair and gene transcription to cell cycle and apoptosis. It is catalyzed by a specific enzymatic cascade ultimately leading to the conjugation of ubiquitin to lysine residues of the target protein that can be the ubiquitin molecule itself and to the formation of poly-ubiquitin chains. Findings We present the crystal structure at 3.0 Å resolution of bovine ubiquitin crystallized in presence of cadmium ions. Two molecules of ubiquitin are present in the asymmetric unit. Interestingly this non-covalent dimeric arrangement brings Lys-6 and Lys-63 of each crystallographically-independent monomer in close contact with the C-terminal ends of the other monomer. Residues Leu-8, Ile-44 and Val-70 that form a hydrophobic patch at the surface of the Ub monomer are trapped at the dimer interface. Conclusions The structural basis for signalling by poly-Ub chains relies on a visualization of conformations of alternatively linked poly-Ub chains. This arrangement of ubiquitin could illustrate how linkages involving Lys-6 or Lys-63 of ubiquitin are produced in the cell. It also details how ubiquitin molecules can specifically chelate cadmium ions.

  8. Cassia grandis Linn. f. seed galactomannan: structural and crystallographical studies.

    Science.gov (United States)

    Joshi, Harsha; Kapoor, Virendra P

    2003-09-01

    Cassia grandis is a small or medium sized tree, found in abundance throughout India. The seeds contain about 50% endosperm gum and possess the characteristics of becoming a potential source of seed gum. The purified polysaccharide has been characterized as a pure galactomannan having a mannose-galactose ratio of 3.15; molecular weight (Mw) 80,200; polydispersity (Mw/Mn), 1.35 and intrinsic viscosity [eta], 848 mL/g. Methylation, periodate oxidation, Smith degradation and 13C NMR studies confirm that the polysaccharide has the basic structure of legume galactomannans consisting of a beta-(1-->4)-linked main mannan backbone to which galactose units are attached at O-6. The orthorhombic lattice constants of the hydrated gum are as follows: a=9.00, b=24.81, c=10.30 A. The crystallographic data establish that the probable space group symmetry of the unit cell is P2(1)2(1)2. The results are in contradiction to earlier reports (Indian J. Chem. 16B (1978) 966; J. Indian Chem. Soc. 55 (1978) 1216) in which a non-galactomannan polysaccharide structure has been assigned having a main chain of (1-->4)-linked galactose and mannose units in the molar ratio 6:3, where 50% of the galactose units branched with two galactose and one mannose through 1-->3 linkage.

  9. Crystallographic analysis of amorphization caused by ion irradiation

    CERN Document Server

    Nakagawa, S T; Ono, T; Hada, Y; Betz, G

    2003-01-01

    Ion irradiation often causes amorphization in a crystal. We have presented a new crystallographic analysis that defines a new type of order parameter, which we call pixel mapping (PM). PM can describe algebraically to what extent and how the crystallinity has changed under ion bombardment. In other words, PM describes the long-range-order (LRO) interactions, based on the crystallography. PM can be effectively used, when it is incorporated in a classical molecular dynamics (MD) calculation. In the case of B ions implanted into a Si crystal, we observed crystal to amorphous (CA) transitions under energetic ion bombardment at low temperature. The PM profiling was more effective to reveal the CA transition than other atomistic methods of analyses as radial distribution function g(r) or vacancy mapping N sub v. PM could distinguish between perfect crystalline states, transition states, and random states. Moreover, PM revealed that the lattice reaction was cooperative even in a mesoscopic volume, e.g. in a cube of ...

  10. Crystallographic Orientation of Cuttlebone Shield Determined by Electron Backscatter Diffraction

    Science.gov (United States)

    Cusack, Maggie; Chung, Peter

    2014-01-01

    In common with many cephalopod mollusks, cuttlefish produce an internal biomineral buoyancy device. This cuttlebone is analogous to a surf board in shape and structure, providing rigidity and a means of controlling buoyancy. The cuttlebone is composed of calcium carbonate in the form of aragonite and comprises an upper dorsal shield and a lower lamellar matrix. The lamellar matrix comprises layers of chambers with highly corrugated walls. The dorsal shield comprises bundles of aragonite needles stacked on top of each other. Electron backscatter diffraction analyses of the dorsal shield reveal that the c-axis of aragonite is parallel with the long axis of the needles in the bundles such that any spread in crystallographic orientation is consistent with the spread in orientation of the fibers as they radiate to form the overall structure of the dorsal shield. This arrangement of c-axis coincident with the long axis of the biomineral structure is similar to the arrangement in corals and in contrast to the situation in the molluskan aragonite nacre of brachiopod calcite where the c-axis is perpendicular to the aragonite tablet or calcite fiber, respectively.

  11. Nanocrystalline materials: recent advances in crystallographic characterization techniques.

    Science.gov (United States)

    Ringe, Emilie

    2014-11-01

    Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR), the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask 'how are nanoshapes created?', 'how does the shape relate to the atomic packing and crystallography of the material?', 'how can we control and characterize the external shape and crystal structure of such small nanocrystals?'. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed.

  12. Crystallization and preliminary crystallographic analysis of recombinant human galectin-1

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Stacy A. [Institute for Glycomics, Gold Coast Campus, Griffith University, Queensland 4222 (Australia); Scott, Ken [School of Biological Sciences, University of Auckland, Auckland (New Zealand); Blanchard, Helen, E-mail: h.blanchard@griffith.edu.au [Institute for Glycomics, Gold Coast Campus, Griffith University, Queensland 4222 (Australia)

    2007-11-01

    Human galectin-1 has been cloned, expressed in E. coli, purified and crystallized in the presence of both lactose (ligand) and β-mercaptoethanol under six different conditions. The X-ray diffraction data obtained have enabled the assignment of unit-cell parameters for two novel crystal forms of human galectin-1. Galectin-1 is considered to be a regulator protein as it is ubiquitously expressed throughout the adult body and is responsible for a broad range of cellular regulatory functions. Interest in galectin-1 from a drug-design perspective is founded on evidence of its overexpression by many cancers and its immunomodulatory properties. The development of galectin-1-specific inhibitors is a rational approach to the fight against cancer because although galectin-1 induces a plethora of effects, null mice appear normal. X-ray crystallographic structure determination will aid the structure-based design of galectin-1 inhibitors. Here, the crystallization and preliminary diffraction analysis of human galectin-1 crystals generated under six different conditions is reported. X-ray diffraction data enabled the assignment of unit-cell parameters for crystals grown under two conditions, one belongs to a tetragonal crystal system and the other was determined as monoclinic P2{sub 1}, representing two new crystal forms of human galectin-1.

  13. Phormidium phycoerythrin forms hexamers in crystals: a crystallographic study.

    Science.gov (United States)

    Sonani, Ravi Raghav; Sharma, Mahima; Gupta, Gagan Deep; Kumar, Vinay; Madamwar, Datta

    2015-08-01

    The crystallographic analysis of a marine cyanobacterium (Phormidium sp. A09DM) phycoerythrin (PE) that shows distinct sequence features compared with known PE structures from cyanobacteria and red algae is reported. Phormidium PE was crystallized using the sitting-drop vapour-diffusion method with ammonium sulfate as a precipitant. Diffraction data were collected on the protein crystallography beamline at the Indus-2 synchrotron. The crystals diffracted to about 2.1 Å resolution at 100 K. The crystals, with an apparent hexagonal morphology, belonged to space group P1, with unit-cell parameters a = 108.3, b = 108.4 Å, c = 116.6 Å, α = 78.94, β = 82.50, γ = 60.34°. The molecular-replacement solution confirmed the presence of 12 αβ monomers in the P1 cell. The Phormidium PE elutes as an (αβ)3 trimer of αβ monomers from a molecular-sieve column and exists as [(αβ)3]2 hexamers in the crystal lattice. Unlike red algal PE proteins, the hexamers of Phormidium PE do not form higher-order structures in the crystals. The existence of only one characteristic visual absorption band at 564 nm suggests the presence of phycoerythrobilin chromophores, and the absence of any other types of bilins, in the Phormidium PE assembly.

  14. Correlating Atom Probe Crystallographic Measurements with Transmission Kikuchi Diffraction Data.

    Science.gov (United States)

    Breen, Andrew J; Babinsky, Katharina; Day, Alec C; Eder, K; Oakman, Connor J; Trimby, Patrick W; Primig, Sophie; Cairney, Julie M; Ringer, Simon P

    2017-03-14

    Correlative microscopy approaches offer synergistic solutions to many research problems. One such combination, that has been studied in limited detail, is the use of atom probe tomography (APT) and transmission Kikuchi diffraction (TKD) on the same tip specimen. By combining these two powerful microscopy techniques, the microstructure of important engineering alloys can be studied in greater detail. For the first time, the accuracy of crystallographic measurements made using APT will be independently verified using TKD. Experimental data from two atom probe tips, one a nanocrystalline Al-0.5Ag alloy specimen collected on a straight flight-path atom probe and the other a high purity Mo specimen collected on a reflectron-fitted instrument, will be compared. We find that the average minimum misorientation angle, calculated from calibrated atom probe reconstructions with two different pole combinations, deviate 0.7° and 1.4°, respectively, from the TKD results. The type of atom probe and experimental conditions appear to have some impact on this accuracy and the reconstruction and measurement procedures are likely to contribute further to degradation in angular resolution. The challenges and implications of this correlative approach will also be discussed.

  15. Nanocrystalline materials: recent advances in crystallographic characterization techniques

    Science.gov (United States)

    Ringe, Emilie

    2014-01-01

    Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR), the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask ‘how are nanoshapes created?’, ‘how does the shape relate to the atomic packing and crystallography of the material?’, ‘how can we control and characterize the external shape and crystal structure of such small nanocrystals?’. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed. PMID:25485133

  16. 77 FR 65220 - Certain Licensees Requesting Unescorted Access to Radioactive Material; Order Imposing...

    Science.gov (United States)

    2012-10-25

    ... COMMISSION Certain Licensees Requesting Unescorted Access to Radioactive Material; Order Imposing Trustworthiness and Reliability Requirements for Unescorted Access to Certain Radioactive Material (Effective... it to perform services on devices containing certain radioactive material for customers licensed...

  17. Amores imposibles

    OpenAIRE

    Nigmatullina, Julia

    2013-01-01

    Màster en Educació Emocional i Benestar, Facultat de Pedagogia, Departament de Mètodes d’Investigació i Diagnòstic en Educació, Universitat de Barcelona, curs: 2012-2013, Tutor/Tutora: Montse Deulofeu

  18. On the effects of an imposed magnetic field on the elliptical instability in rotating spheroids

    OpenAIRE

    Herreman, Wietze; Le Bars, Michael; Le Gal, Patrice

    2009-01-01

    International audience; The effects of an imposed magnetic field on the development of the elliptical instability in a rotating spheroid filled with a conducting fluid are considered. Theoretical and experimental studies of the spin-over mode, as well as a more general short-wavelength Lagrangian approach, demonstrate that the linear growth rate of the instability and the square amplitude of the induced magnetic field fall down linearly with the square of the imposed magnetic field. Applicati...

  19. Variations in Reactivity on Different Crystallographic Orientations of Cerium Oxide

    Energy Technology Data Exchange (ETDEWEB)

    Mullins, David R [ORNL; Albrecht, Peter M [ORNL; Calaza, Florencia C [ORNL

    2013-01-01

    Cerium oxide is a principal component in many heterogeneous catalytic processes. One of its key characteristics is the ability to provide or remove oxygen in chemical reactions. The different crystallographic faces of ceria present significantly different surface structures and compositions that may alter the catalytic reactivity. The structure and composition determine the number of coordination vacancies surrounding surface atoms, the availability of adsorption sites, the spacing between adsorption sites and the ability to remove O from the surface. To investigate the role of surface orientation on reactivity, CeO2 films were grown with two different orientations. CeO2(100) films were grown ex situ by pulsed laser deposition on Nb-doped SrTiO3(100). CeO2(111) films were grown in situ by thermal deposition of Ce metal onto Ru(0001) in an oxygen atmosphere. The chemical reactivity was characterized by the adsorption and decomposition of various molecules such as alcohols, aldehydes and organic acids. In general the CeO2(100) surface was found to be more active, i.e. molecules adsorbed more readily and reacted to form new products, especially on a fully oxidized substrate. However the CeO2(100) surface was less selective with a greater propensity to produce CO, CO2 and water as products. The differences in chemical reactivity are discussed in light of possible structural terminations of the two surfaces. Recently nanocubes and nano-octahedra have been synthesized that display CeO2(100) and CeO2(111) faces, respectively. These nanoparticles enable us to correlate reactions on high surface area model catalysts at atmospheric pressure with model single crystal films in a UHV environment.

  20. Shape and crystallographic orientation of nanodiamonds for quantum sensing.

    Science.gov (United States)

    Ong, S Y; Chipaux, M; Nagl, A; Schirhagl, R

    2017-01-23

    Nanodiamonds with dimensions down to a few tens of nanometers containing nitrogen-vacancy (NV) color centers have revealed their potential as powerful and versatile quantum sensors with a unique combination of spatial resolution and sensitivity. The NV centers allow transducing physical properties, such as strain, temperature, and electric or magnetic field, to an optical transition that can be detected in the single photon range. For example, this makes it possible to sense a single electron spin or a few nuclear spins by detecting their magnetic resonance. The location and orientation of these defects with respect to the diamond surface play a crucial role in interpreting the data and predicting their sensitivities. Despite its relevance, the geometry of these nanodiamonds has never been thoroughly investigated. Without accurate data, spherical models have been applied to interpret or predict results in the past. With the use of High Resolution Transmission Electron Microscopy (HR-TEM), Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM), we investigated nanodiamonds with an average hydrodynamic diameter of 25 nm (the most common type for quantum sensing) and found a flake-like geometry, with 23.2 nm and 4.5 nm being the average lateral and vertical dimensions. We have also found evidence for a preferred crystallographic orientation of the main facet in the (110) direction. Furthermore, we discuss the consequences of this difference in geometry on diamond-based applications. Shape not only influences the creation efficiency of nitrogen-vacancy centers and their quantum coherence properties (and thus sensing performance), but also the optical properties of the nanodiamonds, their interaction with living cells, and their surface chemistry.

  1. Calculation of Crystallographic Texture of BCC Steels During Cold Rolling

    Science.gov (United States)

    Das, Arpan

    2017-05-01

    BCC alloys commonly tend to develop strong fibre textures and often represent as isointensity diagrams in φ 1 sections or by fibre diagrams. Alpha fibre in bcc steels is generally characterised by crystallographic axis parallel to the rolling direction. The objective of present research is to correlate carbon content, carbide dispersion, rolling reduction, Euler angles (ϕ) (when φ 1 = 0° and φ 2 = 45° along alpha fibre) and the resulting alpha fibre texture orientation intensity. In the present research, Bayesian neural computation has been employed to correlate these and compare with the existing feed-forward neural network model comprehensively. Excellent match to the measured texture data within the bounding box of texture training data set has been already predicted through the feed-forward neural network model by other researchers. Feed-forward neural network prediction outside the bounds of training texture data showed deviations from the expected values. Currently, Bayesian computation has been similarly applied to confirm that the predictions are reasonable in the context of basic metallurgical principles, and matched better outside the bounds of training texture data set than the reported feed-forward neural network. Bayesian computation puts error bars on predicted values and allows significance of each individual parameters to be estimated. Additionally, it is also possible by Bayesian computation to estimate the isolated influence of particular variable such as carbon concentration, which exactly cannot in practice be varied independently. This shows the ability of the Bayesian neural network to examine the new phenomenon in situations where the data cannot be accessed through experiments.

  2. Crystallographic control on the substructure of nacre tablets.

    Science.gov (United States)

    Checa, Antonio G; Mutvei, Harry; Osuna-Mascaró, Antonio J; Bonarski, Jan T; Faryna, Marek; Berent, Katarzyna; Pina, Carlos M; Rousseau, Marthe; Macías-Sánchez, Elena

    2013-09-01

    Nacre tablets of mollusks develop two kinds of features when either the calcium carbonate or the organic portions are removed: (1) parallel lineations (vermiculations) formed by elongated carbonate rods, and (2) hourglass patterns, which appear in high relief when etched or in low relief if bleached. In untreated tablets, SEM and AFM data show that vermiculations correspond to aligned and fused aragonite nanogloblules, which are partly surrounded by thin organic pellicles. EBSD mapping of the surfaces of tablets indicates that the vermiculations are invariably parallel to the crystallographic a-axis of aragonite and that the triangles are aligned with the b-axis and correspond to the advance of the {010} faces during the growth of the tablet. According to our interpretation, the vermiculations appear because organic molecules during growth are expelled from the a-axis, where the Ca-CO3 bonds are the shortest. In this way, the subunits forming nacre merge uninterruptedly, forming chains parallel to the a-axis, whereas the organic molecules are expelled to the sides of these chains. Hourglass patterns would be produced by preferential adsorption of organic molecules along the {010}, as compared to the {100} faces. A model is presented for the nanostructure of nacre tablets. SEM and EBSD data also show the existence within the tablets of nanocrystalline units, which are twinned on {110} with the rest of the tablet. Our study shows that the growth dynamics of nacre tablets (and bioaragonite in general) results from the interaction at two different and mutually related levels: tablets and nanogranules.

  3. Energetic, crystallographic and diffusion characteristics of hydrogen isotopes in iron

    Energy Technology Data Exchange (ETDEWEB)

    Sivak, A.B., E-mail: sivak_ab@nrcki.ru [National Research Centre “Kurchatov Institute”, 1, Akademika Kurchatova pl., Moscow 123182 (Russian Federation); National Research Tomsk State University, 36, Lenina pr., Tomsk 634050 (Russian Federation); Sivak, P.A., E-mail: sivak_pa@nrcki.ru [National Research Centre “Kurchatov Institute”, 1, Akademika Kurchatova pl., Moscow 123182 (Russian Federation); Romanov, V.A., E-mail: romanov-ippe@mail.ru [National Research Tomsk State University, 36, Lenina pr., Tomsk 634050 (Russian Federation); A.I. Leypunski Institute of Physics and Power Engineering (IPPE), 1, Bondarenko pl., Obninsk, Kaluga reg. 249033 (Russian Federation); Chernov, V.M., E-mail: vmchernov@bochvar.ru [National Research Tomsk State University, 36, Lenina pr., Tomsk 634050 (Russian Federation); A.A. Bochvar High-technology Research Institute of Inorganic Materials (JSC “VNIINM”), 5-a, Rogova ul., PoB 369, Moscow 123098 (Russian Federation); National Research Nuclear University “MEPhI”, 31, Kashirskoye sh., Moscow 115409 (Russian Federation)

    2015-06-15

    Highlights: • H isotopes properties in Fe were calculated by molecular statics and dynamics methods. • The binding energies of complexes “H atoms – self-defects” were calculated. • Temperature dependencies of H isotopes diffusivities have parabolic form at T > 250 K. • There is a good agreement between MD and experimental data for protium diffusivity. • H isotopes diffusivities are within 10% at 293 K. Isotope effect increases with temperature. - Abstract: Energetic, crystallographic and diffusion characteristics of various interstitial configurations of H atoms and their complexes with self-point defects (SIA – self-interstitial atom, V – vacancy) in bcc iron have been calculated by molecular statics and molecular dynamics using Fe–H interatomic interaction potential developed by Ramasubramaniam et al. (2009) and modified by the authors of the present work and Fe–Fe matrix potential M07 developed by Malerba et al. (2010). The most energetically favorable configuration of an interstitial H atom is tetrahedral configuration. The energy barrier for H atom migration is 0.04 eV. The highest binding energy of all the considered complexes “vacancy – H atom” and “SIA – H atom” is 0.54 and 0.15 eV, respectively. The binding energy of H atom with edge dislocations in slip systems 〈1 1 1〉{1 1 0}, 〈1 1 1〉{1 1 2}, 〈1 0 0〉{1 0 0}, 〈1 0 0〉{1 1 0} is 0.32, 0.30, 0.45, 0.54 eV, respectively. The binding energy of H atom in VH{sub n} complexes (n = 1 … 15) decreases from 0.54 to 0.35 eV with increasing of n from 1 to 6. At n > 6, it decreases to ∼0.1 eV. The temperature dependences of hydrogen isotopes (P, D, T) diffusivities have been calculated for the temperature range 70–1800 K. Arrhenius-type dependencies describe the calculated data at temperatures T < 100 K. At T > 250 K, the temperature dependencies of the diffusivities D{sup P}, D{sup D}, D{sup T} have a parabolic form. The diffusivities of H isotopes are within 10

  4. Crystallographic transformation of limestone during calcination under CO2.

    Science.gov (United States)

    Valverde, Jose Manuel; Medina, Santiago

    2015-09-14

    The calcination reaction of limestone (CaCO3) to yield lime (CaO) is at the heart of many industrial applications as well as natural processes. In the recently emerged calcium-looping technology, CO2 capture is accomplished by the carbonation of CaO in a gas-solid reactor (carbonator). CaO is derived by the calcination of limestone in a calciner reactor under necessarily high CO2 partial pressure and high temperature. In situ X-ray diffraction (XRD) has been employed in this work to gain further insight into the crystallographic transformation that takes place during the calcination of limestone under CO2, at partial pressures (P) close to the equilibrium pressure (Peq) and at high temperature. Calcination under these conditions becomes extremely slow. The in situ XRD analysis presented here suggests the presence of an intermediate metastable CaO* phase stemming from the parent CaCO3 structure. According to the reaction mechanism proposed elsewhere, the exothermicity of the CaO* → CaO transformation and high values of P/Peq inhibit the nucleation of CaO at high temperatures. The wt% of CaO* remains at a relatively high level during slow calcination. Two diverse stages have been identified in the evolution of CaO crystallite size, L. Initially, L increases with CaCO3 conversion, following a logarithmic law. Slow calcination allows the crystallite size to grow up from a few nanometers at nucleation up to around 100 nm near the end of conversion. Otherwise, quick calcination at relatively lower CO2 concentrations limits CaO crystallite growth. Once calcination reaches an advanced state, the presence of CaO* drops to zero and the rate of increase of the CaO crystallite size is significantly hindered. Arguably, the first stage in CaO crystallite growth is driven by aggregation of the metastable CaO* nanocrystals, due to surface attractive forces, whereas the second one is consistent with sintering of the aggregated CaO crystals, and persists with time after full

  5. 42 CFR 423.760 - Determinations regarding the amount of civil money penalties and assessment imposed by CMS.

    Science.gov (United States)

    2010-10-01

    ... penalties and assessment imposed by CMS. 423.760 Section 423.760 Public Health CENTERS FOR MEDICARE... penalties and assessment imposed by CMS. (a) Determining the appropriate amount of any penalty. In determining the amount of penalty imposed under 423.752(c)(1), CMS will consider as appropriate: (1)...

  6. 42 CFR 422.760 - Determinations regarding the amount of civil money penalties and assessment imposed by CMS.

    Science.gov (United States)

    2010-10-01

    ... penalties and assessment imposed by CMS. 422.760 Section 422.760 Public Health CENTERS FOR MEDICARE... assessment imposed by CMS. (a) Determining the appropriate amount of any penalty. In determining the amount of penalty imposed under 422.752(c)(1), CMS will consider as appropriate: (1) The nature of...

  7. Tributes imposed on tourists as a new-old source of local governments income

    Directory of Open Access Journals (Sweden)

    Marcin BURZEC

    2014-12-01

    Full Text Available The growth in a number of tourists and, consequently, a larger income obtained from tourism by the state led to the situation when the previously marginalized tributes imposed on tourists by local governments have assumed greater significance. Additional revenues to local units’ budgets, gained from the above-mentioned tributes, are often allotted for better infrastructure and tourist promotion, thereby contributing to the increased tourist competitiveness. The present paper discusses the construction of levies imposed on tourists by local governments in various European states. Besides, the issues of how local governments can influence the construction of the tax within the frames of the granted tax autonomy are examined. Due to the fact that in many European countries burdens imposed on tourists by local units can be called taxes, fees or other levies, the term „tribute”, as a broader one including all statutory charges, is intentionally used in the present paper.

  8. Militarised violence in the service of state-imposed emergencies over Palestine and Kenya

    Directory of Open Access Journals (Sweden)

    Annie Pfingst

    2015-02-01

    Full Text Available States of Emergency are declared against the disorder-ing of state sovereign power by acts of resistance, rebellion and revolt and are characterised by the technologies of control, containment and punishment. Through spatial, archival and visual encounters with emergency landscapes and the geographies of resistance, the essay considers the historic and contemporary operations, provisions, regulations and practices authorised under state-imposed emergencies. It does so in order firstly, to bring attention to the practices authorised through state-imposed emergencies and the currency and saliency of their ongoing effects, and secondly to re-frame the militarised violence of settlement/occupation as an integral part of state-imposed emergencies in which all that is necessary will be done to protect the sovereign state from the resistance of the colonised/occupied and to effect a return to ‘order’.     Through encounters with the archival record, and the architectures, remnants and territorial arrangements found in post-colonial Kenya and across the multiple geographies of Palestine, the essay draws out seven clusters of state imposed emergency practices and effects. The work grapples with a number of questions: what is it that a declared state of emergency performs for the state? Does a state of emergency enable particular forms of militarised violence? Are there common practices to be found across different modes of state-imposed emergencies? What is the genealogy to the states of emergency across Palestine and Kenya? Does our excavation of the practices of state-imposed emergency shed light on the ways we apprehend state violence in colonial, post-colonial and neo-colonial geographies?

  9. Quand le terrain s’impose, le récit aussi

    Directory of Open Access Journals (Sweden)

    Nicolas Journet

    2009-03-01

    Full Text Available Quand le terrain s’impose, le récit aussi. L’exposé synoptique qui, selon Johannes Fabian, caractérise le genre anthropologique savant et marque ses limites laisse, en fait, parfois la place à des épisodes narratifs. Sur la base de quelques exemples, on suggère que ces récits semblent intervenir lorsque l’auteur veut restituer le mouvement par lequel il a été amené à changer d’idées ou de projets par l’évidence que lui impose le terrain. Et souvent aussi, cette articulation est déterminante pour l’orientation de l’écrit proposé. Ce n’est donc pas seulement un procédé rhétorique, mais une forme qui s’impose d’elle-même.When the field imposes itself, so does the narrative. The synoptic account which, according to Johannes Fabian, characterises the learned anthropological genre and its limitations actually leaves room, on occasion, for narrative episodes. Drawing on a number of examples, this article suggests that these narratives appear to occur when the author wishes to reconstruct the movement through which he was led to change his views or projects because of evidence imposed on him by the field. And often, this link is decisive in determining the orientation of the writing. It is therefore more than just a rhetorical procedure, but a form that imposes itself.

  10. A News Recommendation Method Based on Two-Fold Clustering%基于二次聚类的新闻推荐方法

    Institute of Scientific and Technical Information of China (English)

    古万荣; 董守斌; 何锦潮; 曾之肇

    2014-01-01

    Due to fast update of news , the clustering-based preprocessing is usually needed when the news is recom-mended to users .However , some traditional clustering methods are too complicated while others rely on iterative ini -tial value , none of which can be accurately and effectively applied to news recommendation .Considering the above issues, we propose a news recommendation method based on two-fold clustering.In this method, a density clustering of random sample data is conducted .Based on the cluster number and initial cluster center of the density clustering , a fast two-fold clustering of all the news to be recommended is performed .Then, the news recommendation is realized by combining such factors as fashionability and popularity .The proposed method can cluster relevant news without too much computation cost , and it can calculate parameters by means of parameter estimation .Experimental results show that the proposed method is superior to other news recommendation methods in terms of diversity and accuracy .%由于新闻更新快,对用户进行新闻推荐往往需要进行聚类预处理,而传统方法要么复杂度过高,要么依赖于迭代初值,都不能准确而高效地应用于新闻推荐中。针对以上问题,文中提出了一个基于二次聚类的新闻推荐方法,对随机抽样数据进行密度聚类,基于该样本密度聚类的簇数和初始簇心进行所有待推荐新闻的二次快速聚类,并结合时新性、新闻热度等因素实现新闻推荐。文中方法可以将相关新闻聚集在一起,同时又不导致过高的运算开销,并通过参数估计方法计算各因素参数。实验结果表明,与其他新闻推荐方法相比,文中方法具有较好的推荐多样性和推荐准确度。

  11. A log-likelihood-gain intensity target for crystallographic phasing that accounts for experimental error.

    Science.gov (United States)

    Read, Randy J; McCoy, Airlie J

    2016-03-01

    The crystallographic diffraction experiment measures Bragg intensities; crystallographic electron-density maps and other crystallographic calculations in phasing require structure-factor amplitudes. If data were measured with no errors, the structure-factor amplitudes would be trivially proportional to the square roots of the intensities. When the experimental errors are large, and especially when random errors yield negative net intensities, the conversion of intensities and their error estimates into amplitudes and associated error estimates becomes nontrivial. Although this problem has been addressed intermittently in the history of crystallographic phasing, current approaches to accounting for experimental errors in macromolecular crystallography have numerous significant defects. These have been addressed with the formulation of LLGI, a log-likelihood-gain function in terms of the Bragg intensities and their associated experimental error estimates. LLGI has the correct asymptotic behaviour for data with large experimental error, appropriately downweighting these reflections without introducing bias. LLGI abrogates the need for the conversion of intensity data to amplitudes, which is usually performed with the French and Wilson method [French & Wilson (1978), Acta Cryst. A35, 517-525], wherever likelihood target functions are required. It has general applicability for a wide variety of algorithms in macromolecular crystallography, including scaling, characterizing anisotropy and translational noncrystallographic symmetry, detecting outliers, experimental phasing, molecular replacement and refinement. Because it is impossible to reliably recover the original intensity data from amplitudes, it is suggested that crystallographers should always deposit the intensity data in the Protein Data Bank.

  12. Magnetic anisotropy induced by crystallographic orientation and morphological alignment in directionally-solidified eutectic Mn-Sb alloy

    Science.gov (United States)

    Lou, Chang-Sheng; Liu, Tie; Dong, Meng; Wu, Chun; Shao, Jian-Guo; Wang, Qiang

    2017-02-01

    The influences of the crystallographic orientation and morphological alignment upon the magnetic anisotropic behavior of polycrystalline materials were investigated. Microstructures obtained in eutectic Mn-Sb alloys via directional solidification simultaneously displayed crystallographic orientation and morphological alignment. Both the crystallographic orientation and the morphological alignment were able to induce magnetic anisotropy in the alloys, wherein the influence of the crystallographic orientation and the morphological alignment upon the magnetic anisotropic behavior of the alloys strongly depended upon their directions and exhibited either mutual promotion or competition. These findings may provide useful guidance for the fabrication design of functional magnetic materials.

  13. The Long-term Risk of Upper-extremity Lymphedema is Two-fold Higher in Breast Cancer Patients than in Melanoma Patients

    Science.gov (United States)

    Voss, Rachel K.; Cromwell, Kate D.; Chiang, Yi-Ju; Armer, Jane M.; Ross, Merrick I.; Lee, Jeffrey E.; Gershenwald, Jeffrey E.; Stewart, Bob R.; Shaitelman, Simona F.; Cormier, Janice N.

    2015-01-01

    Background and Objectives We assessed the cumulative incidence, symptoms, and risk factors for upper-extremity lymphedema in breast cancer and melanoma patients undergoing sentinel lymph node biopsy or axillary lymph node dissection. Methods Patients were recruited preoperatively (time 0) and assessed at 6, 12, and 18 months postoperatively. Limb volume change (LVC) was measured by perometry. Lymphedema was categorized as none, mild (LVC 5–9.9%), or moderate/severe (LVC≥10%). Symptoms were assessed with a validated lymphedema instrument. Longitudinal logistic regression analyses were conducted to identify risk factors associated with moderate/severe lymphedema. Results Among 205 breast cancer and 144 melanoma patients, the cumulative incidence of moderate/severe lymphedema at 18 months was 36.5% and 35.0, respectively. However, in adjusted analyses, factors associated with moderate/severe lymphedema were breast cancer (OR 2.0, p=0.03), body mass index ≥30 kg/m2 (OR 1.6, p=0.04), greater number of lymph nodes removed (OR 1.05, pLymphedema incidence increased over time in both cohorts. However, the adjusted risk of moderate/severe lymphedema was two-fold higher in breast cancer patients. These results may be attributed to surgical treatment of the primary tumor in the breast and more frequent use of radiation. PMID:26477877

  14. 42 CFR 422.752 - Basis for imposing intermediate sanctions and civil money penalties.

    Science.gov (United States)

    2010-10-01

    ... money penalties. 422.752 Section 422.752 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES... Sanctions § 422.752 Basis for imposing intermediate sanctions and civil money penalties. (a) All... with the organization whose medical condition or history indicates a need for substantial...

  15. 34 CFR 30.61 - What penalties does the Secretary impose on delinquent debtors?

    Science.gov (United States)

    2010-07-01

    ... 34 Education 1 2010-07-01 2010-07-01 false What penalties does the Secretary impose on delinquent debtors? 30.61 Section 30.61 Education Office of the Secretary, Department of Education DEBT COLLECTION... portion of a debt, within 90 days after the date specified in the first demand for payment sent to the...

  16. Effects of Spontaneous and Imposed Study Strategies on Recall of Prose.

    Science.gov (United States)

    Bohlmeyer, Elaine Morton; And Others.

    Twenty college students read passages from John Steinbeck's "Log from the Sea of Cortez," so that the effect of their study strategies on their recall of idea units in the passages could be tested, both immediately after reading and after a one-week delay. The experiment provided a comparison of the effectiveness of two imposed study patterns, a…

  17. Identification during imposed change: the roles of personal values, type of change, and anxiety.

    Science.gov (United States)

    Sverdlik, Noga; Oreg, Shaul

    2015-06-01

    Using a person-situation perspective, we explain what happens to individuals' identification with a collective in the context of a change. We propose that given the anxiety that often emerges during change, individuals' personal values (conservation and openness to change) interact with type of change (imposed vs. voluntary) in predicting identification following change. In a pilot, longitudinal field study (N = 61, 67% female) of an imposed university campus relocation, we measured employees' values and identification with the university before and several months after the relocation. In two lab experiments (Study 1: N = 104, 91.3% female; Study 2: N = 113, 75.2% female), we manipulated a change to be either imposed or voluntary and compared the relationships between values and identification across types of change. In Study 2, we also measured anxiety from the change. When change was imposed (all three studies), but not when voluntary (Studies 1 and 2), individuals' conservation was positively, and openness negatively, related to individuals' post-change identification. The effects emerged only for individuals who experienced change-related anxiety (Study 2). Our findings demonstrate that individuals' identification with a changing collective depends on the amount of anxiety change elicits and on the particular combination of their values and type of change.

  18. The shaping of NGO accountability: aligning imposed and felt accountabilities in Oxfam Novib

    NARCIS (Netherlands)

    Boomsma, R.; O'Dwyer, B.; Georgakopoulos, G.

    2010-01-01

    The purpose of this paper is to advance and deepen our understanding of the shaping of accountability in non-governmental organization (NGOs) contexts. Using a framework drawing on the concepts of imposed, felt and adaptive accountability the paper examines the process through which one prominent Du

  19. When Will They Ever Learn? Another Failure of Centrally-Imposed Change.

    Science.gov (United States)

    Bishop, Pam; Mulford, Bill

    1999-01-01

    Shows how the relationship between (Australian) secondary teachers and their highly respected, collegial principal changed when he was perceived as "doer of the center's bidding." The principal's efforts to comply with a ministerial directive to impose a statewide curriculum undermined trust in his leadership. (12 references) (MLH)

  20. CJEU rules on use of standards in imposing information duties on life insurance companies

    NARCIS (Netherlands)

    Mańko, R.

    2015-01-01

    The EU Directive applicable to life insurance sets out what kind of information insurance companies must give to policyholders. It also allows Member States to impose broader information duties, provided that the information is necessary for the policyholder to understand the contract. In its ruling

  1. Adolescent Drug Use and the Deterrent Effect of School-Imposed Penalties

    Science.gov (United States)

    Waddell, G. R.

    2012-01-01

    Estimates of the effect of school-imposed penalties for drug use on a student's consumption of marijuana are biased if both are determined by unobservable school or individual attributes. Reverse causality is also a potential challenge to retrieving estimates of the causal relationship, as the severity of school sanctions may simply reflect the…

  2. Labeling exercise fat-burning increases post-exercise food consumption in self-imposed exercisers.

    Science.gov (United States)

    Fenzl, Navina; Bartsch, Katja; Koenigstorfer, Joerg

    2014-10-01

    The goal of the study was to determine whether the label given to an exercise bout affects immediate post-exercise food intake. The authors hypothesized that explicitly labeling an exercise bout 'fat-burning' (vs. labeling an exercise bout 'endurance' exercise) would increase post-exercise food intake in individuals who self-impose physical activity, because they are more likely to see the label as signal of activated fat metabolism and license to reward oneself. No such effect was expected for individuals who do not self-impose physical activity but consider exercise enjoyable. Ninety-six participants took part in an experiment manipulating the label given to an exercise bout (fat-burning exercise or endurance exercise) between participants. They cycled on an ergometer for 20 minutes at a consistent work rate (55-65% of predicted VO2 max) and were offered ad libitum food (i.e., pretzel pieces) after the exercise bout. The results showed that self-imposed exercisers, that is, individuals with low behavioral regulation and individuals with high psychological distress, high fatigue levels, and low positive well-being when exercising, ate more food after exercise when the bout was labeled fat-burning exercise rather than endurance exercise. The results help develop health interventions, indicating that the tendency to compensate for energy expended following physical activity depends on both the label given to the exercise bout and the degree to which individuals self-impose physical activity.

  3. 42 CFR 423.756 - Procedures for imposing intermediate sanctions and civil money penalties.

    Science.gov (United States)

    2010-10-01

    ... independent review has been performed. (ii) In instances where marketing or enrollment or both intermediate... both for a limited period of time in order to assist CMS in making a determination as to whether the... decision to impose a civil money penalty to include— (i) A description of the basis for the...

  4. ENTRAINMENT OF THE BREATHING RHYTHM OF THE CARP BY IMPOSED OSCILLATION OF THE GILL ARCHES

    NARCIS (Netherlands)

    DEGRAAF, PJF; ROBERTS, BL

    1991-01-01

    Artificial oscillation imposed onto the gill arches could modify the respiratory rhythm in the carp Cyprinus carpio. The degree of modification depended upon the frequency and amplitude of the applied movement. Oscillation at frequencies close to the spontaneous respiratory rhythm and at amplitudes

  5. 78 FR 56832 - Extension of Import Restrictions Imposed on Archaeological Material From Cambodia From the Bronze...

    Science.gov (United States)

    2013-09-16

    ... Extension of Import Restrictions Imposed on Archaeological Material From Cambodia From the Bronze Age... material from Cambodia from the Bronze Age through the Khmer era. The restrictions, which were originally... archaeological material from the Bronze Age through the Khmer Era. Import restrictions listed in 19 CFR...

  6. Fatigue of intermittently stimulated human quadriceps during imposed cyclical lower leg movements

    NARCIS (Netherlands)

    Franken, Henry M.; Veltink, Peter H.; Fidder, Marc; Boom, Herman B.K.

    1993-01-01

    In this study the torque output of intermittently stimulated paralyzed human knee extensor muscles during imposed isokinetic cyclical lower leg movements was investigated in four paraplegic subjects. During prolonged (10 min) experiments the influence of knee angular velocity and stimulation paramet

  7. WHY IS THE FISCAL POLICY IMPOSED BY IMF PRO-CYCLIC?

    Directory of Open Access Journals (Sweden)

    Marinas Marius-Corneliu

    2009-05-01

    Full Text Available The economies which appealed to the IMF loan faced difficulties related to financing the public and the private foreign debt. IMF imposed the promoting of a restrictive fiscal policy to the beneficiary countries, in order to decrease the budget deficit, e

  8. 13 CFR 125.29 - What penalties may be imposed under this part?

    Science.gov (United States)

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false What penalties may be imposed under this part? 125.29 Section 125.29 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION... penalties under the False Claims Act, 31 U.S.C. 3729-3733, and under the Program Fraud Civil Remedies...

  9. 13 CFR 126.900 - What penalties may be imposed under this part?

    Science.gov (United States)

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false What penalties may be imposed under this part? 126.900 Section 126.900 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION...-3733, and under the Program Fraud Civil Remedies Act, 31 U.S.C. 3801-3812, and any other...

  10. Experimental and Theoretical Investigation of Crystallographic Orientation Dependence of Nanoscratching of Single Crystalline Copper

    Science.gov (United States)

    Geng, Yanquan; Zhang, Junjie; Yan, Yongda; Yu, Bowen; Geng, Lin; Sun, Tao

    2015-01-01

    In the present work, we perform experiments and molecular dynamics simulations to elucidate the underlying deformation mechanisms of single crystalline copper under the load-controlled multi-passes nanoscratching using a triangular pyramidal probe. The correlation of microscopic deformation behavior of the material with macroscopically-observed machining results is revealed. Moreover, the influence of crystallographic orientation on the nanoscratching of single crystalline copper is examined. Our simulation results indicate that the plastic deformation of single crystalline Cu under the nanoscratching is exclusively governed by dislocation mechanisms. However, there is no glissile dislocation structure formed due to the probe oscillation under the load-controlled mode. Both experiments and MD simulations demonstrate that the machined surface morphologies in terms of groove depth and surface pile-up exhibit strong crystallographic orientation dependence, because of different geometries of activated slip planes cutting with free surfaces and strain hardening abilities associated with different crystallographic orientations. PMID:26147506

  11. Experimental and Theoretical Investigation of Crystallographic Orientation Dependence of Nanoscratching of Single Crystalline Copper.

    Directory of Open Access Journals (Sweden)

    Yanquan Geng

    Full Text Available In the present work, we perform experiments and molecular dynamics simulations to elucidate the underlying deformation mechanisms of single crystalline copper under the load-controlled multi-passes nanoscratching using a triangular pyramidal probe. The correlation of microscopic deformation behavior of the material with macroscopically-observed machining results is revealed. Moreover, the influence of crystallographic orientation on the nanoscratching of single crystalline copper is examined. Our simulation results indicate that the plastic deformation of single crystalline Cu under the nanoscratching is exclusively governed by dislocation mechanisms. However, there is no glissile dislocation structure formed due to the probe oscillation under the load-controlled mode. Both experiments and MD simulations demonstrate that the machined surface morphologies in terms of groove depth and surface pile-up exhibit strong crystallographic orientation dependence, because of different geometries of activated slip planes cutting with free surfaces and strain hardening abilities associated with different crystallographic orientations.

  12. Evolution of the preferred crystallographic orientation across the thickness of nickel electrodeposits

    DEFF Research Database (Denmark)

    Alimadadi, Hossein; da Silva Fanta, Alice Bastos; Somers, Marcel A. J.;

    Numerous industrial applications of nickel electrodeposits, like for example as microcomponents, essentially depend on their preferred crystallographic orientation. As a function of the electrodeposition conditions, the microstructure can be tailored with respect to the size, shape...... for such advanced investigations. The present work reports on the evolution of the preferred crystallographic orientation on the example of various fiber textured nickel electrodeposits. Tailored electrodeposition provided nickel deposits with different fibre textures being , , and ... and crystallographic orientation of grains. Thorough microstructure characterization, however, is not straightforward, because the microstructure of electrodeposits often changes across the thickness of the deposits and numerous twin orientations even with nano-size dimensions can evolve during growth of the deposits...

  13. Advanced yield strength of interconnector ribbon for photovoltaic module using crystallographic texture control

    Science.gov (United States)

    Kang, Byungjun; Park, Nochang; Tark, Sung Ju; Oh, Won Wook; Park, Sungeun; Kim, Young Do; Lee, Hae-Seok; Kim, Donghwan

    2014-03-01

    This paper reports a study on reducing the yield strength of Cu ribbon wire used for Si solar cell interconnections in solar panels. Low yield strength Cu core should be used as the interconnector ribbon to minimize the fracture of Si solar cells during the tabbing process. We lowered the yield strength of Cu ribbon by controlling the crystallographic texture without increasing the annealing time and temperature. The crystallographic texture was controlled by lubrication in a cold rolling process. The crystallographic texture was observed by scanning electron microscopy with electron back scattered diffraction. A tensile test was performed for the comparison of the mechanical properties of Cu with and without lubrication. The average yield strength was 91.2 MPa with lubrication whereas the yield strength was 99.6 MPa without lubrication. The lower value of the lubricated samples seemed to be caused by the higher cube texture intensity than that of the samples without lubrication.

  14. Development of olivine crystallographic preferred orientation in response to strain-induced fabric geometry

    Science.gov (United States)

    Chatzaras, Vasileios; Kruckenberg, Seth C.; Cohen, Shaina M.; Medaris, L. Gordon, Jr.; Withers, Anthony C.; Bagley, Brian

    2016-04-01

    The effect of finite strain ellipsoid geometry on crystallographic preferred orientation (CPO) is well known for crustal minerals (e.g., quartz, calcite, biotite, and hornblende). In the upper mantle, however, it remains poorly constrained how strain and fabric may affect olivine CPO. We present data from a suite of 40 spinel peridotite xenoliths from Marie Byrd Land (west Antarctica), which support an interpretation that fabric geometry rather than deformation conditions control the development of olivine CPO. We use X-ray computed tomography (XRCT) to quantitatively determine spinel fabric (orientation and geometry). Olivine CPOs, determined by Electron Backscattered Diffraction (EBSD), are plotted with respect to the XRCT-derived spinel foliation and lineation; this approach allows for the accurate, and unbiased, identification of CPO symmetries and types in mantle xenoliths. The combined XRCT and EBSD data show that the xenoliths are characterized by a range of fabric geometries (from oblate to prolate) and olivine CPO patterns; we recognize the A-type, axial-[010], axial-[100], and B-type patterns. The mantle xenoliths equilibrated at temperatures 779-1198 oC, as determined by 2-Px geothermometry. Using a geotherm consistent with the stability of spinel in all xenoliths, the range of equilibration temperatures occurs at depths between 39 and 72 km. Olivine recrystallized grain size piezometry reveals differential stresses ranging 2-60 MPa. Analysis of low-angle misorientation axes show a wide range in the distribution of rotation axes, with dominant {0kl}[100] slip. We use Fourier Transform Infrared (FTIR) spectroscopy to estimate the water content in the xenolith with the B-type CPO pattern. FTIR analysis shows that the equilibrium H concentration in olivine is low (4-13 ppm H2O). Combining these data, we observe that olivine CPO symmetry is controlled neither by the deformation conditions (stress, temperature, pressure, water content) for the range of

  15. The Ultrasonic Measurement of Crystallographic Orientation for Imaging Anisotropic Components with 2d Arrays

    Science.gov (United States)

    Lane, C. J. L.; Dunhill, A. K.; Drinkwater, B. W.; Wilcox, P. D.

    2011-06-01

    Single crystal components are used widely in the gas-turbine industry. However, these components are elastically anisotropic which causes difficulties when performing NDE inspections with ultrasound. Recently an ultrasonic algorithm for a 2D array has been corrected to perform the reliable volumetric inspection of single crystals. For the algorithm to be implemented the crystallographic orientation of the components must be known. This paper, therefore, develops and reviews crystallographic orientation methods using 2D ultrasonic arrays. The methods under examination are based on the anisotropic propagation of surface and bulk waves and an image-based orientation method is also considered.

  16. Elasto-Plastic Behavior of High RRR Niobium: Effects of Crystallographic Texture, Microstructure and Hydrogen Concentration

    Energy Technology Data Exchange (ETDEWEB)

    G.R. Myneni; S.R. Agnew

    2002-11-01

    Conventional assessments of the mechanical properties of polycrystalline high RRR niobium via tensile testing have revealed unusually low apparent Young's moduli and yield strength in annealed samples. These observations motivated the current investigation of a variety of possible contributors: crystallographic texture, grain size, and impurity concentration. It is shown that the crystallographic textures of a single lot of niobium are essentially unchanged by post-recrystallization anneals at temperatures up to 800 C. Ultrasonic measurements reveal that the elastic response is not degraded by annealing. Rather, the material's extremely low yield point gives the impression of a low elastic modulus during tensile testing.

  17. Analysis of transitions at two-fold redundant sites in mammalian genomes. Transition redundant approach-to-equilibrium (TREx distance metrics

    Directory of Open Access Journals (Sweden)

    Liberles David A

    2006-03-01

    Full Text Available Abstract Background The exchange of nucleotides at synonymous sites in a gene encoding a protein is believed to have little impact on the fitness of a host organism. This should be especially true for synonymous transitions, where a pyrimidine nucleotide is replaced by another pyrimidine, or a purine is replaced by another purine. This suggests that transition redundant exchange (TREx processes at the third position of conserved two-fold codon systems might offer the best approximation for a neutral molecular clock, serving to examine, within coding regions, theories that require neutrality, determine whether transition rate constants differ within genes in a single lineage, and correlate dates of events recorded in genomes with dates in the geological and paleontological records. To date, TREx analysis of the yeast genome has recognized correlated duplications that established a new metabolic strategies in fungi, and supported analyses of functional change in aromatases in pigs. TREx dating has limitations, however. Multiple transitions at synonymous sites may cause equilibration and loss of information. Further, to be useful to correlate events in the genomic record, different genes within a genome must suffer transitions at similar rates. Results A formalism to analyze divergence at two fold redundant codon systems is presented. This formalism exploits two-state approach-to-equilibrium kinetics from chemistry. This formalism captures, in a single equation, the possibility of multiple substitutions at individual sites, avoiding any need to "correct" for these. The formalism also connects specific rate constants for transitions to specific approximations in an underlying evolutionary model, including assumptions that transition rate constants are invariant at different sites, in different genes, in different lineages, and at different times. Therefore, the formalism supports analyses that evaluate these approximations. Transitions at synonymous

  18. Crystallographic preferred orientation and deformation of deep Earth minerals

    Science.gov (United States)

    Kaercher, Pamela Michelle

    This thesis aims to provide further insight into crystallographic preferred orientation (CPO) and deformation mechanisms active at high pressure. Preferred orientation of iron-rich magnesiowustite (Mg,Fe)O, a major mantle mineral phase, stishovite (SiO2), the high pressure polymorph of quartz that is likely present in the lower crust and mantle, and in NaMgF3 + NaCl, an analog system to lower mantle minerals MgSiO3 + MgO, have been examined with synchrotron X-ray diffraction while at high pressure in either a diamond anvil cell or a multianvil press. Magnesiowustite, (Mg0.08Fe0.88)O, and wustite, Fe0.94O, were compressed up to 37 GPa at ambient temperature in diamond anvil cells (DAC) at the Advanced Light Source (ALS). X-ray diffraction patterns were taken in situ in radial geometry in order to study the evolution of CPO through the cubic-to-rhombohedral phase transition. Under uniaxial stress in the DAC, cubic texture developed (i.e. {100} c planes aligned perpendicular to the compression direction). Variant selection of preferred orientation was observed immediately following the transition to the rhombohedral phase. Upon decompression in the DAC, FeO reverted back to cubic symmetry and the cubic texture reappeared, demonstrating that the transition is reversible and has texture memory. The crystal structure of the high pressure SiO2 polymorph stishovite has been studied in detail, but little is known about texture development during deformation, which provides information for understanding subduction of quartz-bearing crustal rocks into the mantle. Radial DAC experiments were done at the ALS and the Advanced Photon Source (APS) while collecting X-ray diffraction patterns in radial geometry to examine in situ development of CPO. Starting pressure in the sample chamber was still in the quartz stability field, and compression of quartz produced a weak texture, likely due to Dauphine twinning. Following compression of quartz into the stishovite stability field

  19. On the Linear Stability of Thermal Convection with Three Different Imposed Shear Flows

    Directory of Open Access Journals (Sweden)

    Ildebrando Pérez-Reyes

    2016-01-01

    Full Text Available The problem of convection in a fluid with temperature dependent viscosity and imposed shear flow, driven by pressure gradients and by a top moving wall, is studied for the case of poorly thermal conducting horizontal walls. Analytical expressions accounting for temperature dependent viscosity effects were obtained for the critical Rayleigh number and frequency of oscillation under a shallow water approximation for Poiseuille, Couette and returning primary flows. The results of this investi- gation contirbute and extend previous findings showing that the onset of convection can be achieved at smaller critical Rayleigh and wavenumbers. The results include approximations of weak and strong shear flows along with conditions for rigid-rigid and rigid-free boundaries. It was found that the imposed shear flow does not influence the critical wavenumber but it does increases the critical Rayleigh number. In this case convection sets in as oscillatory.

  20. The cost of self-imposed regulatory burden in animal research.

    Science.gov (United States)

    Thulin, Joseph D; Bradfield, John F; Bergdall, Valerie K; Conour, Laura A; Grady, Andrew W; Hickman, Debra L; Norton, John N; Wallace, Jeanne M

    2014-08-01

    U.S. federal regulations and standards governing the care and use of research animals enacted in the mid- to late 1980s, while having positive effects on the welfare and quality of the animals, have resulted in dramatic increases in overall research costs. In addition to the expenses of housing and caring for animals according to the standards, establishing the requisite internal compliance bureaucracies has markedly driven up costs, in both institutional monetary expenditures and lost research effort. However, many institutions are increasing these costs even further through additional self-imposed regulatory burden, typically characterized by overly complex compliance organizations and unnecessary policies and procedures. We discuss the sources of this self-imposed burden and recommend strategies for avoiding it while preserving an appropriate focus on animal well-being and research success.

  1. Magnetorotational turbulence in Taylor--Couette flow with imposed azimuthal magnetic field

    CERN Document Server

    Guseva, A; Hollerbach, R; Avila, M

    2015-01-01

    The magnetorotational instability (MRI) is thought to be a powerful source of turbulence and momentum transport in astrophysical accretion discs, but obtaining observational evidence of its operation is challenging. Recently, laboratory experiments of Taylor--Couette flow with externally imposed axial and azimuthal magnetic fields have revealed the kinematic and dynamic properties of the MRI close to the instability onset. While good agreement was found with linear stability analyses, little is known about the transition to turbulence and transport properties of the MRI. We here report on a numerical investigation of the MRI with an imposed azimuthal magnetic field. We show that the laminar Couette flow becomes unstable to a wave rotating in the azimuthal direction and standing in the axial direction via a supercritical Hopf bifurcation. Subsequently, the flow features a catastrophic transition to spatio-temporal defects which is mediated by a subcritical subharmonic Hopf bifurcation. Our results are in agree...

  2. Control of rare events in reaction and population systems by deterministically imposed transitions.

    Science.gov (United States)

    Khasin, M; Dykman, M I

    2011-03-01

    We consider control of reaction and population systems by imposing transitions between states with different numbers of particles or individuals. The transitions take place at predetermined instants of time. Even where they are significantly less frequent than spontaneous transitions, they can exponentially strongly modify the rates of rare events, including switching between metastable states or population extinction. We also study optimal control of rare events. Specifically, we are interested in the optimal control of disease extinction for a limited vaccine supply. A comparison is made with control of rare events by modulating the rates of elementary transitions rather than imposing transitions deterministically. It is found that, unexpectedly, for the same mean control parameters, controlling the transitions rates can be more efficient.

  3. Crystallographic Analysis of Nucleation at Hardness Indentations in High-Purity Aluminum

    DEFF Research Database (Denmark)

    Xu, Chaoling; Zhang, Yubin; Lin, Fengxiang

    2016-01-01

    Nucleation at Vickers hardness indentations has been studied in high-purity aluminum cold-rolled 12 pct. Electron channeling contrast was used to measure the size of the indentations and to detect nuclei, while electron backscattering diffraction was used to determine crystallographic orientations...

  4. Interpretation of quantitative crystallographic texture in copper electrodeposits on amorphous substrates

    DEFF Research Database (Denmark)

    Pantleon, Karen; Jensen, Jens Arne Dahl; Somers, Marcel A. J.

    2004-01-01

    Crystallographic texture and morphology in Cu electrodeposits was studied in relation to the current density and the content of the organic levelling additive 3-mercapto-1-propanesulfonate. The substrate onto which Cu was electrodeposited consisted of amorphous Ni-P in order to allow substrate...

  5. Crystallographic structural organization of human rhinovirus serotype 16, 14, 3, 2 and 1A

    Science.gov (United States)

    Janner, A.

    2006-07-01

    The capsid of the icosahedral virion is encapsulated between two polyhedra scaled according to the golden mean, each being composed of an icosahedron and a dodecahedron. Structural units of the coat proteins are enclosed into forms whose projections along the icosahedral symmetry axes obey the crystallographic law of rational indices.

  6. Language Ideologies and Hegemonic Factors Imposed upon Judeo-Spanish Speaking Communities

    OpenAIRE

    2013-01-01

    This study explores the concept of hemispheric intersection by analyzing language ideologies that have shaped the linguistic construct of the Judeo-Spanish language. Given the abundance of languages that have influenced the overall linguistic strata of Judeo-Spanish over the past five centuries, the primary questions of this study are: (1) what are the hegemonic factors that have been imposed on Judeo-Spanish speaking communities and (2) how are such factors representative of linguistic chang...

  7. Slow-wave sleep-imposed replay modulates both strength and precision of memory.

    Science.gov (United States)

    Barnes, Dylan C; Wilson, Donald A

    2014-04-09

    Odor perception is hypothesized to be an experience-dependent process involving the encoding of odor objects by distributed olfactory cortical ensembles. Olfactory cortical neurons coactivated by a specific pattern of odorant evoked input become linked through association fiber synaptic plasticity, creating a template of the familiar odor. In this way, experience and memory play an important role in odor perception and discrimination. In other systems, memory consolidation occurs partially via slow-wave sleep (SWS)-dependent replay of activity patterns originally evoked during waking. SWS is ideal for replay given hyporesponsive sensory systems, and thus reduced interference. Here, using artificial patterns of olfactory bulb stimulation in a fear conditioning procedure in the rat, we tested the effects of imposed post-training replay during SWS and waking on strength and precision of pattern memory. The results show that imposed replay during post-training SWS enhanced the subsequent strength of memory, whereas the identical replay during waking induced extinction. The magnitude of this enhancement was dependent on the timing of imposed replay relative to cortical sharp-waves. Imposed SWS replay of stimuli, which differed from the conditioned stimulus, did not affect conditioned stimulus memory strength but induced generalization of the fear memory to novel artificial patterns. Finally, post-training disruption of piriform cortex intracortical association fiber synapses, hypothesized to be critical for experience-dependent odor coding, also impaired subsequent memory precision but not strength. These results suggest that SWS replay in the olfactory cortex enhances memory consolidation, and that memory precision is dependent on the fidelity of that replay.

  8. The effects of imposed sedentary behavior and exercise on energy intake in adolescents with obesity.

    Science.gov (United States)

    Thivel, David; Metz, Lore; Aucouturier, Julien; Brakoniecki, Katrina; Duche, Pascale; Morio, Béatrice

    2013-10-01

    Exercise has been shown to decrease subsequent energy intake, without modification of appetite, in adolescents who are obese. This study compared the impact of acute exercise with imposed sedentary behaviors on the daily nutritional adaptations and energy balance of youths with obesity. Body composition and maximal oxygen uptake were assessed in 10 12- to 15-year-old adolescents with obesity. Energy consumption, appetite, and energy expenditure were assessed during 3 experimental sessions: (1) exercise session (EX), (2) bed rest session (BR), and (3) control session (CON). Total and morning energy expenditures were significantly higher during EX compared to CON and BR sessions (p exercise reduces daily energy balance in adolescents with obesity by mainly affecting ad libitum dinner energy consumption, imposed sedentary behaviors lead to increased energy intake and then positive energy balance. The impact of exercise or imposed sedentary behaviors on the energy balance of adolescents with obesity is not only related to the exercise-induced energy expenditure, but also to their energy intake.

  9. Age and sex differences in steadiness of elbow flexor muscles with imposed cognitive demand.

    Science.gov (United States)

    Pereira, Hugo M; Spears, Vincent C; Schlinder-Delap, Bonnie; Yoon, Tejin; Nielson, Kristy A; Hunter, Sandra K

    2015-06-01

    These studies determined (1) age- and sex-related differences in steadiness of isometric contractions when high cognitive demand was imposed across a range of forces with the elbow flexor muscles (study 1) and; (2) sex differences in steadiness among older adults when low cognitive demand was imposed (study 2). 36 young adults (18-25 years; 18 women) and 30 older adults (60-82 years; 17 women) performed isometric contractions at 5, 30 and 40 % of maximum voluntary contraction (MVC). Study 1 involved a high-cognitive demand session (serial subtractions by 13 during the contraction) and a control session (no mental math). Study 2 (older adults only) involved a low-cognitive demand session (subtracting by 1s). Older individuals exhibited greater increases in force fluctuations (coefficient of variation of force, CV) with high cognitive demand than young adults, with the largest age difference at 5 % MVC (P = 0.01). Older adults had greater agonist EMG activity with high-cognitive demand and women had greater coactivation than men (P demand for the older women but not for the older men (P = 0.03). Older adults had reduced steadiness and increased muscle activation when high cognitive demand was imposed while low cognitive demand induced increased force fluctuations in older women but not older men. These findings have implications for daily and work-related tasks that involve cognitive demand performed simultaneously during submaximal isometric contractions in an aging workforce.

  10. 29 CFR 37.94 - What corrective or remedial actions may be imposed where, after a compliance review or complaint...

    Science.gov (United States)

    2010-07-01

    ... INVESTMENT ACT OF 1998 (WIA) Compliance Procedures § 37.94 What corrective or remedial actions may be imposed... stated period of time in order to achieve voluntary compliance. (b) Such steps must include: (1) Actions... 29 Labor 1 2010-07-01 2010-07-01 true What corrective or remedial actions may be imposed...

  11. 78 FR 16571 - OFAC Implementation of Certain Sanctions Imposed on SYTROL by the Secretary of State Pursuant to...

    Science.gov (United States)

    2013-03-15

    ... Assets Control, Treasury. ACTION: Notice. SUMMARY: The Treasury Department's Office of Foreign Assets Control (``OFAC'') is taking action to implement certain of the sanctions imposed on SYTROL by the... Office of Foreign Assets Control OFAC Implementation of Certain Sanctions Imposed on SYTROL by...

  12. 77 FR 8957 - OFAC Implementation of Certain Sanctions Imposed on Three Persons by the Secretary of State...

    Science.gov (United States)

    2012-02-15

    ... Office of Foreign Assets Control OFAC Implementation of Certain Sanctions Imposed on Three Persons by the... Control, Treasury. ACTION: Notice. SUMMARY: The Treasury Department's Office of Foreign Assets Control (``OFAC'') is taking action to implement certain of the sanctions imposed on three persons by...

  13. 49 CFR 236.567 - Restrictions imposed when device fails and/or is cut out en route.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Restrictions imposed when device fails and/or is cut out en route. 236.567 Section 236.567 Transportation Other Regulations Relating to Transportation...; Locomotives § 236.567 Restrictions imposed when device fails and/or is cut out en route. Where an...

  14. Comparison of three calcium phosphate bone graft substitutes from biomechanical, histological, and crystallographic perspectives using a rat posterolateral lumbar fusion model.

    Science.gov (United States)

    Hu, Ming-Hsien; Lee, Pei-Yuan; Chen, Wen-Cheng; Hu, Jin-Jia

    2014-12-01

    This study evaluated the effectiveness of three calcium phosphate bone graft substitutes with different chemical compositions on spinal fusion using a rat posterolateral lumbar fusion model. Specifically, two recently developed non-dispersive tetracalcium phosphate/dicalcium phosphate anhydrous-based calcium phosphate cements (CPCs), namely a CPC consisting of equimolar amounts of the two compounds (nd-CPC) and a CPC consisting of a two-fold greater amount of dicalcium phosphate anhydrous (DCP-rich CPC), were compared with a commercial calcium phosphate bone graft (c-CPG) consisting of hydroxyapatite (60%) and β-tricalcium phosphate (40%). Single-level posterolateral lumbar fusion was performed at the L4-L5 vertebrae in fifteen adult rats (n=5 for each group). Spinal fusion was evaluated with radiographs, manual palpation, mechanical testing, micro-CT, and histology 8 weeks post-surgery. In particular, the crystallographic phases in the three substitutes were identified before and 8 weeks after their implantation. Manual palpation revealed stable constructs in nearly all of the spine specimens. The stiffness and bending load of fused spines in the two CPC groups were comparable to those in the c-CPG group. The radiographs specifically revealed implant resorption and bone remodeling in the DCP-rich CPC group. Analysis of 3D micro-CT images revealed that the bone volume ratio in the DCP-rich CPC group was significantly greater than those in the nd-CPC and c-CPG groups. Histology showed that the DCP-rich CPC group exhibited the highest degree of bone regeneration and osseointegration. Notably, DCP-rich CPC led to a pronounced phase transformation, generating the greatest amount of poorly crystalline apatite among the three groups, which together with adequate resorption may explain the aforementioned positive findings. We therefore conclude that of the bone graft substitutes considered, DCP-rich CPC has the greatest potential to be used in spinal fusion.

  15. Perception of Effort during Constant Work to Self-Imposed Exhaustion

    Science.gov (United States)

    1977-12-22

    e ,11 ,7 ...... I SO Perception of Effort during Constant Work to Self-Imposed Exhaustion (75j’ Donald H/Horstman,.h.D. S" t " William PesMorgane...I of ETcO vere obst .. ved; while V02 -nd R remained fairly constant. V02 and>, during ?he run wero, about 5% greater than during the walkp~the-e were... William P. Morgan Allen Cymerman 3ames Stokes It has been demonstrated that rating of perceived exertion (RPE), from the psychophysical category scale

  16. Market microstructure matters when imposing a Tobin tax—Evidence from the lab☆

    Science.gov (United States)

    Kirchler, Michael; Huber, Jürgen; Kleinlercher, Daniel

    2011-01-01

    Trading in FX markets is dominated by two microstructures: exchanges with market makers and OTC-markets without market makers. Using laboratory experiments we test whether the impact of a Tobin tax is different in these two market microstructures. We find that (i) in markets without market makers an unilaterally imposed Tobin tax (i.e. a tax haven exists) increases volatility. (ii) In contrast, in markets with market makers we observe a decrease in volatility in unilaterally taxed markets. (iii) An encompassing Tobin tax has no impact on volatility in either setting. Efficiency does not vary significantly across tax regimes. PMID:22210970

  17. How Are Distributed Groups Affected by an Imposed Structuring of their Decision-Making Process?

    DEFF Research Database (Denmark)

    Lundell, Anders Lorentz; Hertzum, Morten

    2011-01-01

    Groups often suffer from ineffective communication and decision making. This experimental study compares distributed groups solving a preference task with support from either a communication system or a system providing both communication and a structuring of the decision-making process. Results...... as its outcome. Notably, the task solutions arrived at by the groups using the system that imposes a structuring of the decision-making process show limited correlation with the task solutions suggested by the system on the basis of the groups’ explicitly stated criteria. We find no differences in group...

  18. Amores imposibles (o retratos del alma humana) en tres cuentos de Machado de Assis

    OpenAIRE

    Rivas Hernández, Ascensión

    2010-01-01

    En los cuentos que se analizan, Machado de Assis propone tres ejemplos de amores imposibles, vinculados con un tema tan antiguo como la literatura misma: el triángulo amoroso. En “La causa secreta”, el más sencillo, domina el respeto del amante hacia el marido, de modo que el sentimiento solo se hace patente al final, ante el cadáver de la amada, mientras el esposo evidencia su incapacidad para el amor. En “Unos brazos” asistimos al enamoramiento entre un adolescente y una muje...

  19. Coupling of cavities - the way to impose control over their modes

    DEFF Research Database (Denmark)

    Ivinskaya, Aliaksandra; Lavrinenko, Andrei; Sukhorukov, Andrey A.

    2010-01-01

    In this work, we demonstrate that the compound mode properties of coupled photonic-crystal cavities can depend critically on the interplay of distance between cavities and their longitudinal shifts. Thus the robust control over the cavity modes can be imposed. The simple coupled-mode theory...... that this property will be generic for side-coupled cavity systems irrespectively of the individual cavity design, e.g. point-defect cavities in a photonic crystal or linear cavities in one-dimensional arrays of elements (rods or holes). We report here about the finite-difference frequency-domain method (FDFD...

  20. Market microstructure matters when imposing a Tobin tax-Evidence from the lab.

    Science.gov (United States)

    Kirchler, Michael; Huber, Jürgen; Kleinlercher, Daniel

    2011-12-01

    TRADING IN FX MARKETS IS DOMINATED BY TWO MICROSTRUCTURES: exchanges with market makers and OTC-markets without market makers. Using laboratory experiments we test whether the impact of a Tobin tax is different in these two market microstructures. We find that (i) in markets without market makers an unilaterally imposed Tobin tax (i.e. a tax haven exists) increases volatility. (ii) In contrast, in markets with market makers we observe a decrease in volatility in unilaterally taxed markets. (iii) An encompassing Tobin tax has no impact on volatility in either setting. Efficiency does not vary significantly across tax regimes.

  1. The relation between microstructure and crystallographic orientation in rolled copper and brass

    DEFF Research Database (Denmark)

    Christoffersen, H.; Leffers, Torben

    2002-01-01

    The relation between microstructure and crystallographic orientation is investigated in rolled copper and brass. For the two main types of microstructure in copper (the high wall density and the low wall density structure) there is a certain relation: theorientations corresponding to a specific...... type tend to cluster in certain regions of orientation space. However, the clustering is not very pronounced (there is a lot of overlap), and it cannot be related to any model. There is also a certain grain-sizeeffect: the average grain with high wall density structure is larger than the average grain...... with low wall density structure. For a third type of microstructure (to be described) there is a very clear relation to the crystallographic orientation. For brassthe distinction is between grains with and grains without deformation twins. There is a clear trend for the grains with twins to cluster...

  2. The X-ray system of crystallographic programs for any computer having a PIDGIN FORTRAN compiler

    Science.gov (United States)

    Stewart, J. M.; Kruger, G. J.; Ammon, H. L.; Dickinson, C.; Hall, S. R.

    1972-01-01

    A manual is presented for the use of a library of crystallographic programs. This library, called the X-ray system, is designed to carry out the calculations required to solve the structure of crystals by diffraction techniques. It has been implemented at the University of Maryland on the Univac 1108. It has, however, been developed and run on a variety of machines under various operating systems. It is considered to be an essentially machine independent library of applications programs. The report includes definition of crystallographic computing terms, program descriptions, with some text to show their application to specific crystal problems, detailed card input descriptions, mass storage file structure and some example run streams.

  3. Crystallographic dependence of CO activation on cobalt catalysts: HCP versus FCC.

    Science.gov (United States)

    Liu, Jin-Xun; Su, Hai-Yan; Sun, Da-Peng; Zhang, Bing-Yan; Li, Wei-Xue

    2013-11-06

    Identifying the structure sensitivity of catalysts in reactions, such as Fischer-Tropsch synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexagonal close-packed (HCP) Co not only has much higher intrinsic activity than that of face centered-cubic (FCC) Co but also prefers a different reaction route, i.e., direct dissociation with HCP Co but H-assisted dissociation on the FCC Co. The origin is identified from the formation of various denser yet favorable active sites on HCP Co not available for FCC Co, due to their distinct crystallographic structure and morphology. The great dependence of the activity on the crystallographic structure and morphology of the catalysts revealed here may open a new avenue for better, stable catalysts with maximum mass-specific reactivity.

  4. Novel Kac-Moody-type affine extensions of non-crystallographic Coxeter groups

    CERN Document Server

    Dechant, Pierre-Philippe; Twarock, Reidun

    2011-01-01

    Motivated by recent results in mathematical virology, we present novel asymmetric Z[tau]-integer-valued affine extensions of the non-crystallographic Coxeter groups H_2, H_3 and H_4 derived in a Kac-Moody-type formalism. In particular, we show that the affine reflection planes which extend the Coxeter group H_3 generate (twist) translations along 2-, 3- and 5-fold axes of icosahedral symmetry and classify these translations in terms of Fibonacci recursion relations, thus providing a framework to explain results of Keef et al and Wardman at the group level. Finally, we extend this classification to the case of the non-crystallographic Coxeter groups H_2 and H_4. These results should have applications in physics (quasicrystals), biology (viruses) and chemistry (fullerenes).

  5. Determination of crystallographic and macroscopic orientation of planar structures in TEM

    DEFF Research Database (Denmark)

    Huang, X.; Liu, Q.

    1998-01-01

    With the aid of a double-tilt holder in a transmission electron microscope (TEM), simple methods are described for determination of the crystallographic orientation of a planar structure and for calculation of the macroscopic orientation of the planar structure. The correlation between a planar s...... taken at tilted positions, can be transformed to the real macroscopic orientation of the planar structures with estimated error of about +/- 2 degrees. (C) 1998 Elsevier Science B.V. All rights reserved....... structure and a crystallographic plane can be found by comparing the differences in their trace directions on the projection plane and inclination angles with respect to that plane. The angles between the traces of planar structures and the sample axis measured from the TEM micrographs, which have been...

  6. Preferred crystallographic orientation in the ice I ← II transformation and the flow of ice II

    Science.gov (United States)

    Bennett, K.; Wenk, H.-R.; Durham, W.B.; Stern, L.A.; Kirby, S.H.

    1997-01-01

    The preferred crystallographic orientation developed during the ice I ← II transformation and during the plastic flow of ice II was measured in polycrystalline deuterium oxide (D2O) specimens using low-temperature neutron diffraction. Samples partially transformed from ice I to II under a non-hydrostatic stress developed a preferred crystallographic orientation in the ice II. Samples of pure ice II transformed from ice I under a hydrostatic stress and then when compressed axially, developed a strong preferred orientation of compression axes parallel to (1010). A match to the observed preferred orientation using the viscoplastic self-consistent theory was obtained only when (1010) [0001] was taken as the predominant slip system in ice II.

  7. Mineralogical, crystallographic and morphological characteristics of natural kaolins from the Ivory Coast (West Africa)

    Science.gov (United States)

    Sei, J.; Morato, F.; Kra, G.; Staunton, S.; Quiquampoix, H.; Jumas, J. C.; Olivier-Fourcade, J.

    2006-10-01

    Thirteen clay samples from four deposits in the Ivory Coast (West Africa) were studied using X-ray diffraction, thermogravimetric analysis and chemical analysis. Mineralogical, crystallographic and morphological characteristics of these samples are given. Kaolinite is the principal mineral but other minerals are present in small quantities: illite, quartz, anatase and iron oxides (oxides and oxyhydroxides). The crystallographic, morphological and surface characteristics are influenced by the presence of these impurities. In particular, the presence of iron oxides was associated with reduced structural ordering and thermal stability of kaolinite and increased specific surface area. These clays could be used in the ceramics industry to make tiles and bricks, and also in agronomy as supports for chemical fertilizers or for environmental protection by immobilising potentially toxic waste products.

  8. Crystallographic Analysis of Nucleation at Hardness Indentations in High-Purity Aluminum

    Science.gov (United States)

    Xu, Chaoling; Zhang, Yubin; Lin, Fengxiang; Wu, Guilin; Liu, Qing; Juul Jensen, Dorte

    2016-12-01

    Nucleation at Vickers hardness indentations has been studied in high-purity aluminum cold-rolled 12 pct. Electron channeling contrast was used to measure the size of the indentations and to detect nuclei, while electron backscattering diffraction was used to determine crystallographic orientations. It is found that indentations are preferential nucleation sites. The crystallographic orientations of the deformed grains affect the hardness and the nucleation potentials at the indentations. Higher hardness gives increased nucleation probabilities. Orientation relationships between nuclei developed at different indentations within one original grain are analyzed and it is found that the orientation distribution of the nuclei is far from random. It is suggested that it relates to the orientations present near the indentation tips which in turn depend on the orientation of the selected grain in which they form. Finally, possible nucleation mechanisms are briefly discussed.

  9. Expression, purification and preliminary crystallographic characterization of FlhF from Bacillus subtilis

    Energy Technology Data Exchange (ETDEWEB)

    Bange, Gert; Petzold, Georg; Wild, Klemens; Sinning, Irmgard, E-mail: irmi.sinning@bzh.uni-heidelberg.de [Heidelberg University Biochemistry Centre (BZH), INF 328, 69120 Heidelberg (Germany)

    2007-05-01

    Preliminary crystallographic data are reported for the third SRP GTPase FlhF from Bacillus subtilis. The Gram-positive bacterium Bacillus subtilis contains three proteins belonging to the signal recognition particle (SRP) type GTPase family. The well characterized signal sequence-binding protein SRP54 and the SRP receptor protein FtsY are universally conserved components of the SRP system of protein transport. The third member, FlhF, has been implicated in the placement and assembly of polar flagella. This article describes the overexpression and preliminary X-ray crystallographic analysis of an FlhF fragment that corresponds to the well characterized GTPase domains in SRP54 and FtsY. Three crystal forms are reported with either GDP or GMPPNP and diffract to a resolution of about 3 Å.

  10. Crystallographic orientation and induced potential effects in photoelectron emission from metal surfaces by ultrashort laser pulses

    CERN Document Server

    Rubiano, C A Rios; Mitnik, D M; Silkin, V M; Gravielle, M S

    2016-01-01

    The influence of the crystallographic orientation of a typical metal surface, like aluminum, on electron emission spectra produced by grazing incidence of ultrashort laser pulses is investigated by using the band-structure-based-Volkov (BSB-V) approximation. The present version of the BSB-V approach includes not only a realistic description of the surface interaction, accounting for band structure effects, but also effects due to the induced potential that originates from the collective response of valence-band electrons to the external electromagnetic field. The model is applied to evaluate differential electron emission probabilities from the valence band of Al(100) and Al(111). For both crystallographic orientations, the contribution of partially occupied surface electronic states and the influence of the induced potential are separately analyzed as a function of the laser carrier frequency. We found that the induced potential strongly affects photoelectron emission distributions, opening a window to scrut...

  11. Crystallographic similarity between the lath martensite and lower bainite in medium-carbon alloy steels

    Institute of Scientific and Technical Information of China (English)

    LIU Jiangwen; LUO Chengping; WU Dongxiao

    2005-01-01

    Progress in the crystallography of lath martensitic and lower bainitic transformations is briefly reviewed, followed by a presentation of the experimentally measured crystallographic characteristics of both lath martensite and lower bainite formed in mediumcarbon steels containing Si, Mn and Mo. It is found that the bainite plates relate to each other by a relative rotation of 54.7°or 60°about the normal to their common close-packed planes {110} b, which ensures a pseudo- {112}b twin relationship between two adjacent plates,and that all bainite variants formed in a single packet keep a unique G-T orientation relationship with the austenite matrix. These two types of OR of lower bainite are similar to that of the lath martensite, respectively. Furthermore, the measured habit planes of both the lower bainite and lath martensite are all {335} f type, which can verify the crystallographic similarity between the lath martensite and lower bainite.

  12. a Euclidean Formulation of Interior Orientation Costraints Imposed by the Fundamental Matrix

    Science.gov (United States)

    Kalisperakis, I.; Karras, G.; Petsa, E.

    2016-06-01

    Epipolar geometry of a stereopair can be expressed either in 3D, as the relative orientation (i.e. translation and rotation) of two bundles of optical rays in case of calibrated cameras or, in case of unclalibrated cameras, in 2D as the position of the epipoles on the image planes and a projective transformation that maps points in one image to corresponding epipolar lines on the other. The typical coplanarity equation describes the first case; the Fundamental matrix describes the second. It has also been proven in the Computer Vision literature that 2D epipolar geometry imposes two independent constraints on the parameters of camera interior orientation. In this contribution these constraints are expressed directly in 3D Euclidean space by imposing the equality of the dihedral angle of epipolar planes defined by the optical axes of the two cameras or by suitably chosen corresponding epipolar lines. By means of these constraints, new closed form algorithms are proposed for the estimation of a variable or common camera constant value given the fundamental matrix and the principal point position of a stereopair.

  13. Imposing Constraints from the Source Tree on ITG Constraints for SMT

    Science.gov (United States)

    Yamamoto, Hirofumi; Okuma, Hideo; Sumita, Eiichiro

    In the current statistical machine translation (SMT), erroneous word reordering is one of the most serious problems. To resolve this problem, many word-reordering constraint techniques have been proposed. Inversion transduction grammar (ITG) is one of these constraints. In ITG constraints, target-side word order is obtained by rotating nodes of the source-side binary tree. In these node rotations, the source binary tree instance is not considered. Therefore, stronger constraints for word reordering can be obtained by imposing further constraints derived from the source tree on the ITG constraints. For example, for the source word sequence { a b c d }, ITG constraints allow a total of twenty-two target word orderings. However, when the source binary tree instance ((a b) (c d)) is given, our proposed “imposing source tree on ITG” (IST-ITG) constraints allow only eight word orderings. The reduction in the number of word-order permutations by our proposed stronger constraints efficiently suppresses erroneous word orderings. In our experiments with IST-ITG using the NIST MT08 English-to-Chinese translation track's data, the proposed method resulted in a 1.8-points improvement in character BLEU-4 (35.2 to 37.0) and a 6.2% lower CER (74.1 to 67.9%) compared with our baseline condition.

  14. Egg eviction imposes a recoverable cost of virulence in chicks of a brood parasite.

    Directory of Open Access Journals (Sweden)

    Michael G Anderson

    Full Text Available BACKGROUND: Chicks of virulent brood parasitic birds eliminate their nestmates and avoid costly competition for foster parental care. Yet, efforts to evict nest contents by the blind and naked common cuckoo Cuculus canorus hatchling are counterintuitive as both adult parasites and large older cuckoo chicks appear to be better suited to tossing the eggs and young of the foster parents. METHODOLOGY/PRINCIPAL FINDINGS: Here we show experimentally that egg tossing imposed a recoverable growth cost of mass gain in common cuckoo chicks during the nestling period in nests of great reed warbler Acrocephalus arundinaceus hosts. Growth rates of skeletal traits and morphological variables involved in the solicitation of foster parental care remained similar between evictor and non-evictor chicks throughout development. We also detected no increase in predation rates for evicting nests, suggesting that egg tossing behavior by common cuckoo hatchlings does not increase the conspicuousness of nests. CONCLUSION: The temporary growth cost of egg eviction by common cuckoo hatchlings is the result of constraints imposed by rejecter host adults and competitive nestmates on the timing and mechanism of parasite virulence.

  15. Causality-imposed (Kramers-Kronig) relationships between attenuation and dispersion.

    Science.gov (United States)

    Waters, Kendall R; Mobley, Joel; Miller, James G

    2005-05-01

    Causality imposes restrictions on both the time-domain and frequency-domain responses of a system. The Kramers-Kronig (K-K) relations relate the real and imaginary parts of the frequency-domain response. In ultrasonics, K-K relations often are used to link attenuation and dispersion. We review both integral and differential forms of the frequency-domain K-K relations that are relevant to theoretical models and laboratory measurements. We consider two methods for implementing integral K-K relations for the case of finite-bandwidth data, namely, extrapolation of data and restriction of integration limits. For the latter approach, we discuss the accuracy of K-K predictions for specific classes of system behavior and how the truncation of the integrals affects this accuracy. We demonstrate the accurate prediction of attenuation and dispersion using several forms of the K-K relations relevant to experimental measurements of media with attenuation coefficients obeying a frequency power law and media consisting of resonant scatterers. We also review the time-causal relations that describe the time-domain consequences of causality in the wave equation. These relations can be thought of as time-domain analogs of the (frequency-domain) K-K relations. Causality-imposed relations, such as the K-K and time-causal relations, provide useful tools for the analysis of measurements and models of acoustic systems.

  16. Imposing early stability to ecological and biological networks through Evolutionary Network Control

    Directory of Open Access Journals (Sweden)

    Alessandro Ferrarini

    2015-03-01

    Full Text Available The stability analysis of the dynamical networks is a well-studied topic, both in ecology and in biology. In this work, I adopt a different perspective: instead of analysing the stability of an arbitrary ecological network, I seek here to impose such stability as soon as possible (or, contrariwise, as late as possible during network dynamics. Evolutionary Network Control (ENC is a theoretical and methodological framework aimed to the control of ecological and biological networks by coupling network dynamics and evolutionary modelling. ENC covers several topics of network control, for instance a the global control from inside and b from outside, c the local (step-by-step control, and the computation of: d control success, e feasibility, and f degree of uncertainty. In this work, I demonstrate that ENC can also be employed to impose early (but, also, late stability to arbitrary ecological and biological networks, and provide an applicative example based on the nonlinear, widely-used, Lotka-Volterra model.

  17. Microstructure, crystallographic texture and mechanical properties of friction stir welded AA2017A

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, M.M.Z., E-mail: mohamed_ahmed4@s-petrol.suez.edu.eg [Institute for Microstructural and Mechanical Processing Engineering, University of Sheffield (IMMPETUS), Mappin Street, Sheffield S1 3JD (United Kingdom); Department of Metallurgical and Materials Engineering, Suez Canal University, Suez 43721 (Egypt); Wynne, B.P.; Rainforth, W.M. [Institute for Microstructural and Mechanical Processing Engineering, University of Sheffield (IMMPETUS), Mappin Street, Sheffield S1 3JD (United Kingdom); Threadgill, P.L. [TWI LTD, Granta Park, Great Abington, Cambridge CB21 6AL (United Kingdom)

    2012-02-15

    In this study a thick section (20 mm) friction stir welded AA2017A-T451 has been characterized in terms of microstructure, crystallographic texture and mechanical properties. For microstructural analysis both optical and scanning electron microscopes have been used. A detailed crystallographic texture analysis has been carried out using the electron back scattering diffraction technique. Crystallographic texture has been examined in both shoulder and probe affected regions of the weld NG. An entirely weak texture is observed at the shoulder affected region which is mainly explained by the effect of the sequential multi pass deformation experienced by both tool probe and tool shoulder. The texture in the probe dominated region at the AS side of the weld is relatively weak but still assembles the simple shear texture of FCC metals with B/B{sup Macron} and C components existing across the whole map. However, the texture is stronger at the RS than at the AS of the weld, mainly dominated byB/B{sup Macron} components and with C component almost absent across the map. An alternating bands between (B) components and (B{sup Macron }) component are observed only at the AS side of the weld. - Highlights: Black-Right-Pointing-Pointer Detailed investigation of microstructure and crystallographic texture. Black-Right-Pointing-Pointer The grain size is varied from the top to the bottom of the NG. Black-Right-Pointing-Pointer An entirely weak texture is observed at the shoulder affected region. Black-Right-Pointing-Pointer The texture in the probe affected region is dominated by simple shear texture.

  18. Crystallographic orientation-dependent pattern replication in direct imprint of aluminum nanostructures

    OpenAIRE

    2015-01-01

    In the present work, we perform molecular dynamics simulations corroborated by experimental validations to elucidate the underlying deformation mechanisms of single-crystalline aluminum under direct imprint using a rigid silicon master. We investigate the influence of crystallographic orientation on the microscopic deformation behavior of the substrate materials and its correlation with the macroscopic pattern replications. Furthermore, the surface mechanical properties of the patterned struc...

  19. Experimental and Theoretical Investigation of Crystallographic Orientation Dependence of Nanoscratching of Single Crystalline Copper

    OpenAIRE

    2015-01-01

    In the present work, we perform experiments and molecular dynamics simulations to elucidate the underlying deformation mechanisms of single crystalline copper under the load-controlled multi-passes nanoscratching using a triangular pyramidal probe. The correlation of microscopic deformation behavior of the material with macroscopically-observed machining results is revealed. Moreover, the influence of crystallographic orientation on the nanoscratching of single crystalline copper is examined....

  20. Crystallographic mechanism of inverse twinning in ordered β′-CuZn alloy

    Institute of Scientific and Technical Information of China (English)

    毛卫民

    2000-01-01

    The basic process of mechanical twinning in β’-CuZn phase, as an example of B2 structured metals, has been analyzed under the rolling stresses. The behavior of inverse twinning in B2 structured metals is discussed in terms of mechanics and crystallographic stability. It is shown that the inverse twinning could remain the B2 structure, and the resulting strains will have the lowest resistance during the rolling deformation of the polycrystalline.

  1. Crystallographic mechanism of inverse twinning in ordered β'-CuZn alloy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The basic process of mechanical twinning in β'-CuZn phase, as an example of B2 structured metals, has been analyzed under the rolling stresses. The behavior of inverse twinning in B2 structured metals is discussed in terms of mechanics and crystallographic stability. It is shown that the inverse twinning could remain the B2 structure, and the resulting strains will have the lowest resistance during the rolling deformation of the polycrystalline.

  2. Crystallization and preliminary crystallographic characterization of an SH3 domain from the IB1 scaffold protein

    DEFF Research Database (Denmark)

    Dar, Imran; Bonny, Christophe; Pedersen, Jan Torleif

    2003-01-01

    with unmodified protein and deliberately oxidized protein have led to different crystal forms. X-ray data have been collected to 3.0 A resolution from a crystal form with rectangular prism morphology. These crystals are orthorhombic (P2(1)2(1)2(1)), with unit-cell parameters a = 45.9, b = 57.0, c = 145.5 A....... These are the first crystallographic data on a scaffold molecule such as IB1 to be reported....

  3. Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

    Science.gov (United States)

    Steiner, Roberto A.; Tucker, Julie A.

    2017-01-01

    A short introduction is provided to the concept of restraints in macromolecular crystallographic refinement. A typical ligand restraint-generation process is then described, covering types of input, the methodology and the mechanics behind the software in general terms, how this has evolved over recent years and what to look for in the output. Finally, the currently available restraint-generation software is compared, concluding with some thoughts for the future. PMID:28177305

  4. Affine extensions of non-crystallographic Coxeter groups induced by projection

    Science.gov (United States)

    Dechant, Pierre-Philippe; BÅ`hm, Céline; Twarock, Reidun

    2013-09-01

    In this paper, we show that affine extensions of non-crystallographic Coxeter groups can be derived via Coxeter-Dynkin diagram foldings and projections of affine extended versions of the root systems E8, D6, and A4. We show that the induced affine extensions of the non-crystallographic groups H4, H3, and H2 correspond to a distinguished subset of those considered in [P.-P. Dechant, C. Bœhm, and R. Twarock, J. Phys. A: Math. Theor. 45, 285202 (2012)]. This class of extensions was motivated by physical applications in icosahedral systems in biology (viruses), physics (quasicrystals), and chemistry (fullerenes). By connecting these here to extensions of E8, D6, and A4, we place them into the broader context of crystallographic lattices such as E8, suggesting their potential for applications in high energy physics, integrable systems, and modular form theory. By inverting the projection, we make the case for admitting different number fields in the Cartan matrix, which could open up enticing possibilities in hyperbolic geometry and rational conformal field theory.

  5. Electron diffraction study of {alpha}-AlMnSi crystals including non-crystallographic axes

    Energy Technology Data Exchange (ETDEWEB)

    Song, G.L.; Bursill, L.A.

    1997-06-01

    The structure of crystalline {alpha}-AlMnSi is examined by electron diffraction. Six distinct zone axes are examined, including both normal crystallographic and non-crystallographic zones axes, allowing the space group symmetry to be studied. Electron diffraction patterns characteristic of Pm3-bar were obtained for thicker specimens. However, for very thin specimens, as used for HRTEM imaging, the electron diffraction patterns were characteristic of Im3-bar space group symmetry. The structural basis of the Pm3-bar to Im3-bar transformation may be understood in terms of an analysis of the icosahedral structural elements located at the corners and body-centers of the cubic unit cell. A method for indexing the non-crystallographic zone axis diffraction patterns is described. An electron diffraction pattern of the 5-fold axis of the quasicrystalline phase i-AlMnSi is also included; this is compared with the experimental results and calculations for the [0{tau}1] axis of Pm3-bar and Im3-bar crystalline phases. 26 refs., 4 tabs., 7 figs.

  6. Rapid Creation of Three-Dimensional, Tactile Models from Crystallographic Data

    Directory of Open Access Journals (Sweden)

    Nathan B. Fisher

    2016-01-01

    Full Text Available A method for the conversion of crystallographic information framework (CIF files to stereo lithographic data files suitable for printing on three-dimensional printers is presented. Crystallographic information framework or CIF files are capable of being manipulated in virtual space by a variety of computer programs, but their visual representations are limited to the two-dimensional surface of the computer screen. Tactile molecular models that demonstrate critical ideas, such as symmetry elements, play a critical role in enabling new students to fully visualize crystallographic concepts. In the past five years, major developments in three-dimensional printing has lowered the cost and complexity of these systems to a level where three-dimensional molecular models may be easily created provided that the data exists in a suitable format. Herein a method is described for the conversion of CIF file data using existing free software that allows for the rapid creation of inexpensive molecular models. This approach has numerous potential applications in basic research, education, visualization, and crystallography.

  7. Crystallographic groups and topology in Escher. (Spanish:Grupos cristalográficos y topología en Escher).

    OpenAIRE

    Montesinos Amilibia, José María

    2010-01-01

    In the late 19th century Fedorov, Schoenflies, and Barlow classified the seventeen wallpaper groups (two-dimensional crystallographic groups, five of them direct movements and twelve of them inverse movements) and the 320 three-dimensional crystallographic groups. In order to get the lists of groups, they all used the same geometric strategy: to combine all possible movements and study them case by case. Later on, Zassenhaus developed a purely algebraic algorithm which allowed him to u...

  8. Bis(4H-1,2,4-triazol-3-yldisulfane

    Directory of Open Access Journals (Sweden)

    Dongsheng Liu

    2008-01-01

    Full Text Available The title compound, C4H4N6S2, was synthesized by the reaction of 3-mercapto-1H-1,2,4-triazole with sodium hydroxide in ethanol. The molecule possesses a crystallographically imposed twofold axis. Intermolecular N—H...N hydrogen bonds link the molecules into chains along the c axis.

  9. ICl-mediated intramolecular twofold iodoarylation of diynes and diynyl diethers and amines: synthesis of bis(2H-hydronaphthalene and chromene) and 2H-quinoline bearing an alkenyl iodide moiety.

    Science.gov (United States)

    Mo, Juntae; Choi, Wonseok; Min, Jiae; Kim, Cheol-Eui; Eom, Dahan; Kim, Sung Hong; Lee, Phil Ho

    2013-11-15

    Electrophilic intramolecular twofold iodoarylation was developed from the reaction of diynes and diynyl diethers and amines with iodine monochloride under mild conditions, which produced bis(2H-hydronaphthalene and chromene) and 2H-quinoline bearing an alkenyl iodide moiety in good to excellent yields. These compounds underwent Pd-catalyzed cross-coupling reactions with arylboronic acid and indium tris(arylthiolate) to produce the functionalized styrene derivatives.

  10. A refined way of solving reactor point kinetics equations for imposed reactivity insertions

    Directory of Open Access Journals (Sweden)

    Ganapol Barry D.

    2009-01-01

    Full Text Available We apply the concept of convergence acceleration, also known as extrapolation, to find the solution of the reactor kinetics equations (RKEs. The method features simplicity in that an approximate finite difference formulation is constructed and converged to high accuracy from knowledge of the error term. Through the Romberg extrapolation, we demonstrate its high accuracy for a variety of imposed reactivity insertions found in the literature. The unique feature of the proposed algorithm, called RKE/R(omberg, is that no special attention is given to the stiffness of the RKEs. Finally, because of its simplicity and accuracy, the RKE/R algorithm is arguably the most efficient numerical solution of the RKEs developed to date.

  11. Temporal changes of novel transcripts in the chicken retina following imposed defocus.

    Science.gov (United States)

    Ohngemach, Sibylle; Buck, Christine; Simon, Perikles; Schaeffel, Frank; Feldkaemper, Marita

    2004-12-28

    Changes in retinal gene expression are one of the first steps in the signaling pathway underlying the visual control of eye growth. We tried to identify novel, yet unknown, genes, that alter their expression pattern following imposed defocus, wearing of diffusers, or during recovery from myopia. Sequences found earlier by differential display studies were applied to 5'-RACE and identified as 15 kDa selenoprotein P and prolidase. Moreover, we obtained more sequence information for a yet unidentified gene. We have studied the time course of expressions of these genes following lens or diffuser treatment. Ten to 14 day old white leghorn chickens (4-7) were treated with a monocular +7 D or -7 D lenses for 2, 4, 6, or 24 h, or treated with monocular or binocular diffusers for 2, 4, or 6 h. Chickens of another group were allowed to recover from 4 days of diffuser wear for 4 h. Untreated chicks served as a control for contralateral eye effects. Following the extraction of retinal RNA, the relative expression of the three genes was determined by semi-quantitative real time PCR. We found a significant up regulation of selenoprotein P expression after 24 h of treatment with positive (+380%) or negative lenses (+387%) which was even more prominent in the contralateral untreated eyes (positive: +542%; negative: +786%). A rapid change in selenoprotein mRNA levels was induced by binocular diffuser wear for 2 h (+425%), whereas defocus blur in one eye led to an increase only after 6 h (+261%). There was a significant upregulation of prolidase mRNA after 24 h of treatment with positive (+75%) but not with negative lenses. Moreover, blur induced by diffusers resulted in a highly significant rise of prolidase mRNA levels after 4 h, both with monocular (142%) and binocular (106%) treatment. This is similar to what was found in the previous differential display (DD) screening of monocularly treated eyes. In contrast to the findings of the DD screening, the mRNA expression of the

  12. El sueño o el imposible objeto del deseo.

    Directory of Open Access Journals (Sweden)

    Gerardo Bolívar Ochoa.

    2002-03-01

    Full Text Available El artículo propone una lectura del texto freudiano La interpretación de los sueños. En éste, Freud argumenta y demuestra cómo en la práctica del psicoanálisis, la interpretación de los sueños, por medio de la asociación libre del analizante y la atención flotante del psicoanalista, es la vía regia de acceso al saber del inconsciente. Dicho saber permite postular, entre otras cosas, que es alrededor de una pérdida que se constituye el deseo, siempre insatisfecho. En esa medida, la realización de deseo en la que consiste la labor onírica, es la repetición de la relación con un objeto imposible.

  13. Mixed finite element methods for linear elasticity with weakly imposed symmetry

    Science.gov (United States)

    Arnold, Douglas N.; Falk, Richard S.; Winther, Ragnar

    2007-12-01

    In this paper, we construct new finite element methods for the approximation of the equations of linear elasticity in three space dimensions that produce direct approximations to both stresses and displacements. The methods are based on a modified form of the Hellinger-Reissner variational principle that only weakly imposes the symmetry condition on the stresses. Although this approach has been previously used by a number of authors, a key new ingredient here is a constructive derivation of the elasticity complex starting from the de Rham complex. By mimicking this construction in the discrete case, we derive new mixed finite elements for elasticity in a systematic manner from known discretizations of the de Rham complex. These elements appear to be simpler than the ones previously derived. For example, we construct stable discretizations which use only piecewise linear elements to approximate the stress field and piecewise constant functions to approximate the displacement field.

  14. Quantum Error-Correction-Enhanced Magnetometer Overcoming the Limit Imposed by Relaxation.

    Science.gov (United States)

    Herrera-Martí, David A; Gefen, Tuvia; Aharonov, Dorit; Katz, Nadav; Retzker, Alex

    2015-11-13

    When incorporated in quantum sensing protocols, quantum error correction can be used to correct for high frequency noise, as the correction procedure does not depend on the actual shape of the noise spectrum. As such, it provides a powerful way to complement usual refocusing techniques. Relaxation imposes a fundamental limit on the sensitivity of state of the art quantum sensors which cannot be overcome by dynamical decoupling. The only way to overcome this is to utilize quantum error correcting codes. We present a superconducting magnetometry design that incorporates approximate quantum error correction, in which the signal is generated by a two qubit Hamiltonian term. This two-qubit term is provided by the dynamics of a tunable coupler between two transmon qubits. For fast enough correction, it is possible to lengthen the coherence time of the device beyond the relaxation limit.

  15. The alpha effect with imposed and dynamo-generated magnetic fields

    CERN Document Server

    Hubbard, A; Käpylä, P J; Brandenburg, A

    2009-01-01

    Estimates for the nonlinear alpha effect in helical turbulence are presented using two different approaches where a uniform magnetic field is applied either to the actual field, or where separate evolution equations are solved for a set of different test fields. Both approaches agree for stronger fields, but there are apparent discrepancies for weaker fields that can be explained by the influence of dynamo-generated magnetic fields on the scale of the domain that are referred to as meso-scale magnetic fields. Examples are discussed where with an imposed magnetic field the alpha effect is either drastically overestimated, or drastically underestimated compared with the kinematic value. It is demonstrated that the kinematic value can be estimated correctly by resetting the magnetic field in regular time intervals.

  16. Pathways of information transmission among wild songbirds follow experimentally imposed changes in social foraging structure.

    Science.gov (United States)

    Firth, Josh A; Sheldon, Ben C; Farine, Damien R

    2016-06-01

    Animals regularly use information from others to shape their decisions. Yet, determining how changes in social structure affect information flow and social learning strategies has remained challenging. We manipulated the social structure of a large community of wild songbirds by controlling which individuals could feed together at automated feeding stations (selective feeders). We then provided novel ephemeral food patches freely accessible to all birds and recorded the spread of this new information. We demonstrate that the discovery of new food patches followed the experimentally imposed social structure and that birds disproportionately learnt from those whom they could forage with at the selective feeders. The selective feeders reduced the number of conspecific information sources available and birds subsequently increased their use of information provided by heterospecifics. Our study demonstrates that changes to social systems carry over into pathways of information transfer and that individuals learn from tutors that provide relevant information in other contexts.

  17. Imposed Stories: Prisoner Self-narratives in the Criminal Justice System in New South Wales, Australia

    Directory of Open Access Journals (Sweden)

    Maggie Hall

    2016-03-01

    Full Text Available This article examines the ways in which offenders are required to provide very particular accounts of themselves and to self-narrate in confined ways. Drawing on ethnographic fieldwork and interviews conducted in the New South Wales justice system, it explores how the stories that offenders are made to accept and tell about themselves often bear little relationship to their own reflections. It analyses how, despite the expectations of judges and prison authorities, these self-narratives are not products of an offender’s soul-searching concerning his past actions and experience; rather they are products of an official legal narrative being imposed on an offender whose capacity to own and enact such a narrative is already seriously compromised.

  18. Use of Acoustics in Studies of Fish Reaction to Imposed Stimuli

    Directory of Open Access Journals (Sweden)

    E. Ona

    1986-10-01

    Full Text Available The general distribution pattern of fish in a large pen is described through essentially simultaneous measurements of the integrated echo intensity in each of six separate cells using transducers mounted below the pen. The reaction of fish to various stimuli imposed in one of the cells is quantified by the change in frequency distribution of the echo intensity relative to the undisturbed situation. The experiment was part of a small-scale test of equipment to be used for observations of the attraction-effect of fish to oil-rig structures. The method seems to be suitable both for general fish behaviour studies, including attraction and avoidance effect, and for monitoring feeding systems in aquaculture based on fish conditioning.

  19. The restrictions imposed upon the urban development by the piezometric level. Case study: Otopeni-Tunari-Corbeanca

    OpenAIRE

    Daniel Constantin Diaconu; Daniel Peptenatu; Adrian Gabriel Simion; Radu-Daniel Pintilii; Cristian-Constantin Draghici; Camelia Teodorescu; Alexandra Grecu; Andreea Karina Gruia; Ana-Maria Ilie

    2017-01-01

    The objective of the study is to identify the urban development pressure exerted upon the limits imposed by the depth of the phreatic level. The territorial systems from the vicinity of Bucharest registered a momentous dynamics and it enabled the expanding of urbanized areas beyond the limits imposed by the natural conditions. The present research involved the creation of a database concerning the depth of the phreatic level, as well as the identification of the expansion stages undertaken by...

  20. Self-assembled ultra-nanocrystalline silicon films with preferred crystallographic orientation for solar cell applications

    Science.gov (United States)

    Banerjee, Amit; Das, Debajyoti

    2015-03-01

    Using low-pressure planar inductively coupled plasma CVD at 87% H2-dilution to the SiH4 plasma, nc-Si:H films are prepared that possess preferential growth along crystallographic orientation with I220/I111 > 1.2, bonded H-content of ∼5.5 at.%, a low microstructure factor of ∼0.56, along with a reasonably high σD ∼ 5.2 × 10-4 S cm-1, ΔE ∼ 143 meV and σPh ∼ 1.4 × 10-3 S cm-1. The growth of the nc-Si:H network has been optimized to a moderately high nanocrystallinity (∼68%), with an average grain size of ∼8 nm. The overall network comprises a significant fraction of ultra-nanocrystalline component, Xunc/Xnc ∼ 0.47, which are dominantly inhabited by the thermodynamically preferred crystallographic orientation that provides convenient electrical transport perpendicular to the film surface and subsequently could facilitate photovoltaic performance. The cross-sectional view of the fracture surface demonstrates columnar structures, closely correlated to the favored growth of the nanocrystallites along crystallographic orientation that retains direction perpendicular to the substrate surface. The underlying phenomena could be demonstrated as a consequence of preferential growth induced by high atomic H density present in the planar inductively coupled SiH4 plasma obtained via much lower H2-dilution compared to that realized in conventional capacitively coupled plasma-CVD. The nc-Si:H films with precise material properties as well as the allied low-pressure ICP-CVD growth process could be of significant use in further progress of nc-Si solar cells.

  1. Health economic burden that wounds impose on the National Health Service in the UK.

    Science.gov (United States)

    Guest, Julian F; Ayoub, Nadia; McIlwraith, Tracey; Uchegbu, Ijeoma; Gerrish, Alyson; Weidlich, Diana; Vowden, Kathryn; Vowden, Peter

    2015-12-07

    To estimate the prevalence of wounds managed by the UK's National Health Service (NHS) in 2012/2013 and the annual levels of healthcare resource use attributable to their management and corresponding costs. This was a retrospective cohort analysis of the records of patients in The Health Improvement Network (THIN) Database. Records of 1000 adult patients who had a wound in 2012/2013 (cases) were randomly selected and matched with 1000 patients with no history of a wound (controls). Patients' characteristics, wound-related health outcomes and all healthcare resource use were quantified and the total NHS cost of patient management was estimated at 2013/2014 prices. Patients' mean age was 69.0 years and 45% were male. 76% of patients presented with a new wound in the study year and 61% of wounds healed during the study year. Nutritional deficiency (OR 0.53; p<0.001) and diabetes (OR 0.65; p<0.001) were independent risk factors for non-healing. There were an estimated 2.2 million wounds managed by the NHS in 2012/2013. Annual levels of resource use attributable to managing these wounds and associated comorbidities included 18.6 million practice nurse visits, 10.9 million community nurse visits, 7.7 million GP visits and 3.4 million hospital outpatient visits. The annual NHS cost of managing these wounds and associated comorbidities was £5.3 billion. This was reduced to between £5.1 and £4.5 billion after adjusting for comorbidities. Real world evidence highlights wound management is predominantly a nurse-led discipline. Approximately 30% of wounds lacked a differential diagnosis, indicative of practical difficulties experienced by non-specialist clinicians. Wounds impose a substantial health economic burden on the UK's NHS, comparable to that of managing obesity (£5.0 billion). Clinical and economic benefits could accrue from improved systems of care and an increased awareness of the impact that wounds impose on patients and the NHS. Published by the BMJ Publishing

  2. On the effective inversion by imposing a priori information for retrieval of land surface parameters

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The anisotropy of the land surface can be best described by the bidirectional reflectance distribution function (BRDF). As the field of multiangular remote sensing advances, it is increasingly probable that BRDF models can be inverted to estimate the important biological or climatological parameters of the earth surface such as leaf area index and albedo. The state-of-the-art of BRDF is the use of the linear kernel-driven models, mathematically described as the linear combination of the isotropic kernel, volume scattering kernel and geometric optics kernel. The computational stability is characterized by the algebraic operator spectrum of the kernel-matrix and the observation errors. Therefore, the retrieval of the model coefficients is of great importance for computation of the land surface albedos. We first consider the smoothing solution method of the kernel-driven BRDF models for retrieval of land surface albedos. This is known as an ill-posed inverse problem. The ill-posedness arises from that the linear kernel driven BRDF model is usually underdetermined if there are too few looks or poor directional ranges, or the observations are highly dependent. For example, a single angular observation may lead to an under-determined system whose solution is infinite (the null space of the kernel operator contains nonzero vectors) or no solution (the rank of the coefficient matrix is not equal to the augmented matrix). Therefore, some smoothing or regularization technique should be applied to suppress the ill-posedness. So far, least squares error methods with a priori knowledge, QR decomposition method for inversion of the BRDF model and regularization theories for ill-posed inversion were developed. In this paper, we emphasize on imposing a priori information in different spaces. We first propose a gen-eral a priori imposed regularization model problem, and then address two forms of regularization scheme. The first one is a regularized singular value decomposition

  3. Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics.

    Science.gov (United States)

    Batuk, Dmitry; Batuk, Maria; Tsirlin, Alexander A; Hadermann, Joke; Abakumov, Artem M

    2015-12-01

    The defect chemistry of the ferroelectric material PbTiO3 after doping with Fe(III) acceptor ions is reported. Using advanced transmission electron microscopy and powder X-ray and neutron diffraction, we demonstrate that even at concentrations as low as circa 1.7% (material composition approximately ABO2.95), the oxygen vacancies are trapped into extended planar defects, specifically crystallographic shear planes. We investigate the evolution of these defects upon doping and unravel their detailed atomic structure using the formalism of superspace crystallography, thus unveiling their role in nonstoichiometry in the Pb-based perovskites.

  4. Crystallographic dependence of photocatalytic activity of WO3 thin films prepared by molecular beam epitaxy.

    Science.gov (United States)

    Li, Guoqiang; Varga, Tamas; Yan, Pengfei; Wang, Zhiguo; Wang, Chongmin; Chambers, Scott A; Du, Yingge

    2015-06-21

    We investigated the impact of crystallographic orientation on the photocatalytic activity of single crystalline WO3 thin films prepared by molecular beam epitaxy on the photodegradation of rhodamine B (RhB). A clear effect is observed, with (111) being the most reactive surface, followed by (110) and (001). Photoreactivity is directly correlated with the surface free energy determined by density functional theory calculations. The RhB photodegradation mechanism is found to involve hydroxyl radicals in solution formed from photo-generated holes and differs from previous studies performed on nanoparticles and composites.

  5. Regularities of crystallographic texture formation in cladding tubes from Zr-based alloys during their production

    Science.gov (United States)

    Isaenkova, M.; Perlovich, Yu; Fesenko, V.

    2016-04-01

    This paper summarizes researches of the authors, which are directed on the development of the methodological basis of X-ray studies in the materials science of zirconium and on the systematization of new experimental results obtained using developed methods. The paper describes regularities of the formation of the crystallographic texture and the substructure inhomogeneity of cladding tubes from zirconium alloys at various stages of their manufacturing, i.e. during hot and cold deformation, recrystallization, phase transformations and interactions of the above processes.

  6. (Fundamental studies of new magnetic heterostructures: Their growth, crystallographic structure, magnetic and electronic properties)

    Energy Technology Data Exchange (ETDEWEB)

    Onellion, M. (Wisconsin Univ., Madison, WI (USA). Dept. of Physics); Dowben, P.A. (Syracuse Univ., NY (USA). Dept. of Physics)

    1990-01-01

    As part of our request for renewal of our grant, we include this progress report on the significant results obtained under grant number FG02-89ER45319, Fundamental Studies of New Magnetic Heterostructures: Their Growth, Crystallographic Structure, Magnetic and Electronic Properties,'' since the inception of the grant. The results include the scientific accomplishments, the instrumentation developed, and the technological applications of our work. Each area is discussed separately and an initial summary of all areas is provided before the detailed discussion.

  7. Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

    Science.gov (United States)

    Fancher, Chris M.; Han, Zhen; Levin, Igor; Page, Katharine; Reich, Brian J.; Smith, Ralph C.; Wilson, Alyson G.; Jones, Jacob L.

    2016-01-01

    A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method. PMID:27550221

  8. Morphological and crystallographic evolution of bainite transformation in Fe-0.15C binary alloy.

    Science.gov (United States)

    Zhang, Di; Terasaki, Hidenori; Komizo, Yuichi

    2010-01-01

    In this article, an in situ observation method, combining laser scanning confocal microscopy and electron backscattering diffraction, was used to investigate the morphological and crystallographic evolution of bainite transformation in a Fe-0.15C binary alloy. The nucleation at a grain boundary and inclusions, sympathetic nucleation, and impingement event of bainitic ferrite were directly shown in real time. The variant evolution during bainite transformation and misorientation between bainitic ferrites were clarified. Strong variant selection was observed during sympathetic nucleation. (c) 2009 Wiley-Liss, Inc.

  9. Restrictions on pp scattering amplitude imposed by first diffraction minimum data obtained by TOTEM at LHC

    CERN Document Server

    Kovalenko, V N; Vechernin, V V; Diatchenko, D V

    2015-01-01

    Recently, fine experimental data on the behavior of elastic scattering cross section in the region of the diffraction peak and the first diffraction minimum was obtained by the TOTEM experiment for 7 TeV pp collisions at the LHC [1, 2]. The first restrictions on pp scattering amplitude imposed by this data were discussed in [3, 4]. In the present work we present the systematic analysis of the problem in the framework of quasi-eikonal Regge approach [5, 6] taking into account the unitarity condition. We show that although in this approach one can describe the general features of the pp scattering such as the total elastic and inelastic cross sections, the slope of diffraction cone and the multiplicity density at mid-rapidities [7], nevertheless the behavior of pp elastic differential cross section in the vicinity of the first diffraction minimum measured by the TOTEM experiment at LHC [1, 2] can not be reproduced under any parameter values at standard assumptions of the model. Physically one can say that in qu...

  10. Life history trade-offs imposed by dragline use in two money spiders.

    Science.gov (United States)

    Bonte, Dries; Verduyn, Lieselot; Braeckman, Bart P

    2016-01-01

    Trade-offs among life history traits are central to understanding the limits of adaptations to stress. In animals, virtually all decisions taken during life are expected to have downstream consequences. To what degree rare, but energy-demanding, decisions carry over to individual performance is rarely studied in arthropods. We used spiders as a model system to test how single investments in silk use - for dispersal or predator escape - affect individual performance. Silk produced for safe lines and as threads for ballooning is of the strongest kind and is energetically costly, especially when resources are limited. We induced dragline spinning in two species of money spider at similar quantities to that under natural conditions and tested trade-offs with lifespan and egg sac production under unlimited prey availability and a dietary restriction treatment. We demonstrate strong trade-offs between dragline spinning and survival and fecundity. Survival trade-offs were additive to those imposed by the dietary treatment, but a reduction in eggs produced after silk use was only prevalent under conditions where food was restricted during the spider's life. Because draglines are not recycled after their use for dispersal or predator escape, their spinning incurs substantial fitness costs in dispersal, especially in environments with prey limitation. Rare but energetically costly decisions related to dispersal or predator escape may thus carry over to adult performance and explain phenotypic heterogeneity in natural populations.

  11. Fast-ignition design transport studies: realistic electron source, integrated PIC-hydrodynamics, imposed magnetic fields

    CERN Document Server

    Strozzi, D J; Larson, D J; Divol, L; Kemp, A J; Bellei, C; Marinak, M M; Key, M H

    2012-01-01

    Transport modeling of idealized, cone-guided fast ignition targets indicates the severe challenge posed by fast-electron source divergence. The hybrid particle-in-cell [PIC] code Zuma is run in tandem with the radiation-hydrodynamics code Hydra to model fast-electron propagation, fuel heating, and thermonuclear burn. The fast electron source is based on a 3D explicit-PIC laser-plasma simulation with the PSC code. This shows a quasi two-temperature energy spectrum, and a divergent angle spectrum (average velocity-space polar angle of 52 degrees). Transport simulations with the PIC-based divergence do not ignite for > 1 MJ of fast-electron energy, for a modest 70 micron standoff distance from fast-electron injection to the dense fuel. However, artificially collimating the source gives an ignition energy of 132 kJ. To mitigate the divergence, we consider imposed axial magnetic fields. Uniform fields ~50 MG are sufficient to recover the artificially collimated ignition energy. Experiments at the Omega laser facil...

  12. Metabolic constraint imposes tradeoff between body size and number of brain neurons in human evolution.

    Science.gov (United States)

    Fonseca-Azevedo, Karina; Herculano-Houzel, Suzana

    2012-11-06

    Despite a general trend for larger mammals to have larger brains, humans are the primates with the largest brain and number of neurons, but not the largest body mass. Why are great apes, the largest primates, not also those endowed with the largest brains? Recently, we showed that the energetic cost of the brain is a linear function of its numbers of neurons. Here we show that metabolic limitations that result from the number of hours available for feeding and the low caloric yield of raw foods impose a tradeoff between body size and number of brain neurons, which explains the small brain size of great apes compared with their large body size. This limitation was probably overcome in Homo erectus with the shift to a cooked diet. Absent the requirement to spend most available hours of the day feeding, the combination of newly freed time and a large number of brain neurons affordable on a cooked diet may thus have been a major positive driving force to the rapid increased in brain size in human evolution.

  13. How can Saturn impose its rotation period in a noncorotating magnetosphere?

    Science.gov (United States)

    Espinosa, StéPhane A.; Southwood, David J.; Dougherty, MichèLe K.

    2003-02-01

    A conceptual model is proposed, where Saturn can impose its rotation period in a noncorotating magnetosphere, as observed by Pioneer 11, Voyager 1 and 2. The fundamental hypothesis for this so-called "Camshaft model" is that Saturn has an equatorial anomaly, likely to be magnetic. It is restricted in longitude, and the source is yet to be detected. This longitudinal asymmetry is equivalent to a variation of pressure for the magnetospheric subcorotating plasma, and therefore as the planet rotates, a compressional wave is generated. That is, we use the MHD fast mode, which can propagate across the magnetic field, rather than the transverse mode for momentum transfer from the planet to the magnetospheric plasma. The wave propagates radially outward across the background magnetic field, inducing a motion in the plasma that is decoupled from and superposed on its azimuthal motion. Consequently, as the planet rotates, magnetic field observations fixed in an inertial frame would present a periodic signature with the planetary rotation period. This is true at each local time, independently of the level of plasma subcorotation. We then show that the Camshaft model accounts very well for the previously reported observations of spin-periodic perturbations in Saturn's magnetic field. Finally, we consider the perturbation magnetic field (obtained by subtracting only the model planetary field from the observations) measured by Pioneer 11 while outbound, and find its orientation consistent with the Camshaft model once the propagation delay of the compressional wave is included.

  14. Association between the training loads imposed to amateur rugby sevens players and burnout syndrome

    Directory of Open Access Journals (Sweden)

    Alberto Sarly Coutinho Sobral

    2014-06-01

    Full Text Available Burnout syndrome has been shown to be increasingly prevalent in athletes, since it is related to factors that influence levels of stress during the preparation of sports. Therefore, it has been studied in several sports, but not in Rugby Seven. The aim of this study was to correlate the effects of training loads imposed on amateur Rugby Sevens players with the burnout questionnaire. Nine players (25 ± 5 years-old were evaluated before the preparatory period. Assessment included the measurement of the % fat percentage; nutritional status, stress, and aerobic power. During the preparatory period, once again, it was assessed the state of stress, aerobic power, and intensity of the training program. It was observed that there is no significant correlation between the intensity of the workout and Burnout scores (p> 0.05, nor between Burnout scores and aerobic capacity. However, there was significant a correlation between the intensity of training performed with aerobic power (p< 0.01. Therefore, it is concluded that a training program prescribed properly, prevents the onset of burnout syndrome in Rugby Sevens players.

  15. Dynamic control of auxin distribution imposes a bilateral-to-radial symmetry switch during gynoecium development.

    Science.gov (United States)

    Moubayidin, Laila; Ostergaard, Lars

    2014-11-17

    Symmetry formation is a remarkable feature of biological life forms associated with evolutionary advantages and often with great beauty. Several examples exist in which organisms undergo a transition in symmetry during development. Such transitions are almost exclusively in the direction from radial to bilateral symmetry. Here, we describe the dynamics of symmetry establishment during development of the Arabidopsis gynoecium. We show that the apical style region undergoes an unusual transition from a bilaterally symmetric stage ingrained in the gynoecium due to its evolutionary origin to a radially symmetric structure. We also identify two transcription factors, INDEHISCENT and SPATULA, that are both necessary and sufficient for the radialization process. Our work furthermore shows that these two transcription factors control style symmetry by directly regulating auxin distribution. Establishment of specific auxin-signaling foci and the subsequent development of a radially symmetric auxin ring at the style are required for the transition to radial symmetry, because genetic manipulations of auxin transport can either cause loss of radialization in a wild-type background or rescue mutants with radialization defects. Whereas many examples have described how auxin provides polarity and specific identity to cells in a range of developmental contexts, our data presented here demonstrate that auxin can also be recruited to impose uniform identity to a group of cells that are otherwise differentially programmed. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  16. Effect of PEG-6000 Imposed Water Deficit on Chlorophyll Metabolism in Maize Leaves

    Directory of Open Access Journals (Sweden)

    Rekha Gadre

    2013-08-01

    Full Text Available Drought stress is one of the major abiotic constraint limiting plant growth and productivity world wide. The current study was undertaken with the aim to investigate the effect of water deficit imposed by PEG-6000, on chlorophyll metabolism in maize leaves to work out the mechanistic details. Leaf segments prepared from primary leaves of etiolated maize seedlings were treated with varying concentrations of polyethylene glycol-6000 (PEG-6000; w/v- 5%, 10%, 20%, 30% in continuous light of intensity 40 Wm-2 at 26±2 °C for 24 h in light chamber. The results demonstrate a concentration dependent decline in chlorophyll content with increasing concentration of polyethylene glycol-6000 (PEG-6000. Reduction in chlorophyll ‘a’ level was to a greater extent than the chlorophyll ‘b’. The RNA content decreased in a concentration dependent manner with PEG, however, proline content increased significantly. Relative water content decreased significantly with the supply of 30% PEG only. A substantial decrease in chlorophyll synthesis due to significant reduction in ALA content and ALAD activity, with no change in chlorophyllase activity with the supply of PEG suggests that water deficit affects chlorophyll formation rather than its degradation.

  17. Assessment of the stresses imposed on adult ostriches (Struthio camelus) during handling, loading, transportation and unloading.

    Science.gov (United States)

    Minka, N S; Ayo, J O

    2008-06-28

    The stresses imposed during the handling, loading and unloading of 250 adult ostriches (Struthio camelus) transported by road were evaluated, weighted, scored and later compared with some objective physiological indices of stress measured after the journey. During handling, the numbers of slips and falls, incidents of aggressive behaviour, the calculated behavioural points, the number of injuries recorded per ostrich and the time spent were significantly (P<0.01) greater than the values recorded during loading and unloading. During handling and loading, 45 per cent of the ostriches had a good score (1.1 to 2 points), 15.5 per cent had a fair score (2.1 to 3 points) and 39.4 per cent had a poor or bad score (more than 3 points). The behavioural scores were significantly and positively correlated with the heterophil:lymphocyte ratio, the rectal temperature and the number of injuries sustained by the ostriches. The results showed that the poorer the behavioural score, the higher the level of stress suffered by the ostriches during handling and loading.

  18. Hot Electron Propagation and Imposed Magnetic Field in Inertial Fusion Hohlraums

    CERN Document Server

    Strozzi, D J; Marinak, M M; Larson, D J; Koning, J M; Logan, B G

    2015-01-01

    Simulations with the radiation-hydrodynamics code HYDRA of a low-adiabat ignition design for the National Ignition Facility (NIF), with and without an imposed axial magnetic field, are presented. We also study superthermal, or "hot," electron dynamics with the hybrid-PIC code ZUMA, using plasma conditions from HYDRA. During the early-time laser picket, when hot electrons from the window are a concern, we find ~2E-3 of the hot electron energy in a source consistent with two-plasmon decay (80 keV temperature) in the laser entrance hole deposits in the deuterium-tritium (DT) fuel, while most of the energy deposits in the high-Z wall. A 70 Tesla field, which may improve capsule performance, magnetizes hot electrons in the hohlraum fill gas, guides them to the capsule, and increases the DT deposition 12x. Early in peak laser power, electrons with >125 keV reach the DT fuel, and those with ~185 keV deposit the largest fraction of their energy (13%) in DT. HYDRA magnetohydrodynamics (MHD) simulations with an initial...

  19. Heterología. La ciencia (imposible de los residuos violentos

    Directory of Open Access Journals (Sweden)

    Sergio Tonkonoft

    2015-01-01

    Full Text Available EI presente trabajo busca mostrar que en la obra de Bataille existe una teoría social general, articulada en torno a la noción de lo sagrado. Nuestra hipótesis es que Bataille profundizó y generalizó d movimiento iniciado por Durkheim, quien postula la sintaxis de lo sagrado arcaico como la parte fundamental de la gramática social, pero interpretando este legado a la luz del concepto de multitud, entendido como el otro nombre de la economía general de las pasiones colectivas. Para dlo, se sirvió de dementos deI psicoanálisis y la fenomenología alemana, produciendo la teoría original dd lazo social, su estructuración y sus dinâmicas, con las que reformuló la idea durkheimniana de lo sagrado y procedió a analizar los malestares de su época. Dada la antropología trágica que enmarcó esta empresa intelectual, resultó de ello la teoría social transgredida o imposible que lleva eI nombre de heterología.

  20. Ion confinement and transport in a toroidal plasma with externally imposed radial electric fields

    Science.gov (United States)

    Roth, J. R.; Krawczonek, W. M.; Powers, E. J.; Kim, Y. C.; Hong, H. Y.

    1979-01-01

    Strong electric fields were imposed along the minor radius of the toroidal plasma by biasing it with electrodes maintained at kilovolt potentials. Coherent, low-frequency disturbances characteristic of various magnetohydrodynamic instabilities were absent in the high-density, well-confined regime. High, direct-current radial electric fields with magnitudes up to 135 volts per centimeter penetrated inward to at least one-half the plasma radius. When the electric field pointed radially toward, the ion transport was inward against a strong local density gradient; and the plasma density and confinement time were significantly enhanced. The radial transport along the electric field appeared to be consistent with fluctuation-induced transport. With negative electrode polarity the particle confinement was consistent with a balance of two processes: a radial infusion of ions, in those sectors of the plasma not containing electrodes, that resulted from the radially inward fields; and ion losses to the electrodes, each of the which acted as a sink and drew ions out of the plasma. A simple model of particle confinement was proposed in which the particle confinement time is proportional to the plasma volume. The scaling predicted by this model was consistent with experimental measurements.

  1. Transcriptomes Reveal Genetic Signatures Underlying Physiological Variations Imposed by Different Fermentation Conditions in Lactobacillus plantarum

    Science.gov (United States)

    Bongers, Roger S.; van Bokhorst-van de Veen, Hermien; Wiersma, Anne; Overmars, Lex; Marco, Maria L.; Kleerebezem, Michiel

    2012-01-01

    Lactic acid bacteria (LAB) are utilized widely for the fermentation of foods. In the current post-genomic era, tools have been developed that explore genetic diversity among LAB strains aiming to link these variations to differential phenotypes observed in the strains investigated. However, these genotype-phenotype matching approaches fail to assess the role of conserved genes in the determination of physiological characteristics of cultures by environmental conditions. This manuscript describes a complementary approach in which Lactobacillus plantarum WCFS1 was fermented under a variety of conditions that differ in temperature, pH, as well as NaCl, amino acid, and O2 levels. Samples derived from these fermentations were analyzed by full-genome transcriptomics, paralleled by the assessment of physiological characteristics, e.g., maximum growth rate, yield, and organic acid profiles. A data-storage and -mining suite designated FermDB was constructed and exploited to identify correlations between fermentation conditions and industrially relevant physiological characteristics of L. plantarum, as well as the associated transcriptome signatures. Finally, integration of the specific fermentation variables with the transcriptomes enabled the reconstruction of the gene-regulatory networks involved. The fermentation-genomics platform presented here is a valuable complementary approach to earlier described genotype-phenotype matching strategies which allows the identification of transcriptome signatures underlying physiological variations imposed by different fermentation conditions. PMID:22802930

  2. Imposing the Habit of Science: Sir Mortimer Wheeler and Indian Archaeology

    Directory of Open Access Journals (Sweden)

    Sudeshna Guha

    2003-05-01

    Full Text Available “…you are a scientist, one with the initiative to acquire and enlarge knowledge. You are no longer a school-boy waiting to be taught. You are an officer, and the weight of your command will be proportionate to the effective weight of your knowledge and experience. Learn!” This is how Sir Robert Eric Mortimer Wheeler’s “directive” to “young officers” of the Archaeological Survey of India ended. It was circulated as one of the staff memorandum (no. 5 in April 1945 and is his most didactic official circular. The four years of Wheeler’s Director-Generalship of the Survey (1944 to 1948 are usually regarded as being foundational to the development of archaeological method in the subcontinent. By instilling ‘discipline’ among his crew, showing them how to attain technical precision in recording and exposing the benefits of forward planning, Wheeler (as he himself tells us could successfully impose the habit of scientific enquiry among his Indian students and staff; a habit he regarded necessary for the progress of archaeology in the Indian subcontinent. This paper explores some of his methods and seeks to open up a discussion regarding why they acquired significance within the post-colonial milieu of Indian archaeology.

  3. Lower-limb amputee recovery response to an imposed error in mediolateral foot placement.

    Science.gov (United States)

    Segal, Ava D; Klute, Glenn K

    2014-09-22

    Despite walking with a wider step width, amputees remain 20% more likely to fall than non-amputees. Since mediolateral (ML) balance is critical for ambulation and contingent on ML foot placement, we used a ML disturbance to perturb walking balance and explore the influence of prosthetic foot stiffness on balance recovery. Ten transtibial amputees were fit with two commonly prescribed prosthetic feet with differing stiffness characteristics; 12 non-amputees also participated. A perturbation device that released an air burst just before heel strike imposed a repeatable medial or lateral disturbance in foot placement. After a medial disturbance, the first recovery step width was narrowed (pamputees (-41%) and more than twice as variable. The ML inclination angle remained reduced (-109%) for the prosthetic limb, while the sound limb and non-amputees approached undisturbed levels (pAmputees required five steps to return to undisturbed step width after a prosthetic medial disturbance versus two steps for the sound limb and for non-amputees. After a lateral disturbance, the first recovery step was widened for the prosthetic limb (+82%), sound limb (+75%), and wider than non-amputees (+51%; pAmputees also exhibited a similar upper torso response compared to the non-amputees for both disturbances. Prosthetic feet with different stiffness properties did not have a significant effect. In conclusion, amputee balance was particularly challenged by medial disturbances to the prosthetic limb implying a need for improved interventions that address these balance deficits.

  4. Guiding of relativistic electron beams in dense matter by longitudinally imposed strong magnetic fields

    CERN Document Server

    Bailly-Grandvaux, M; Bellei, C; Forestier-Colleoni, P; Fujioka, S; Giuffrida, L; Honrubia, J J; Batani, D; Bouillaud, R; Chevrot, M; Cross, J E; Crowston, R; Dorard, S; Dubois, J -L; Ehret, M; Gregori, G; Hulin, S; Kojima, S; Loyez, E; Marques, J -R; Morace, A; Nicolai, Ph; Roth, M; Sakata, S; Schaumann, G; Serres, F; Servel, J; Tikhonchuk, V T; Woolsey, N; Zhang, Z

    2016-01-01

    High-energy-density flows through dense matter are needed for effective progress in the production of laser-driven intense sources of energetic particles and radiation, in driving matter to extreme temperatures creating state regimes relevant for planetary or stellar science as yet inaccessible at the laboratory scale, or in achieving high-gain laser-driven thermonuclear fusion. When interacting at the surface of dense (opaque) targets, intense lasers accelerate relativistic electron beams which transport a significant fraction of the laser energy into the target depth. However, the overall laser-to-target coupling efficiency is impaired by the large divergence of the electron beam, intrinsic to the laser-plasma interaction. By imposing a longitudinal 600T laser-driven magnetic-field, our experimental results show guided >10MA-current of MeV-electrons in solid matter. Due to the applied magnetic field, the transported energy-density and the peak background electron temperature at the 60micron-thick targets re...

  5. Conceptualization and nursing implications of self-imposed activity limitation among community-dwelling elders.

    Science.gov (United States)

    Guo, Guifang; Phillips, Linda R

    2010-01-01

    The purposes of this paper are to explore, from a theoretical perspective, explanations for why some community-dwelling elders self-impose activity limitations (SIALs); to develop an integrated explanation for SIAL from a nursing perspective; and to identify some clinical implications of relevance to public health nursing practice. Activity limitation is an important risk factor for functional decline, morbidity, and mortality among community-dwelling elders. Many studies have focused on disease and environmental influences on activity limitations. The intrinsic processes associated with voluntary or SIAL in old age among otherwise physically and mentally capable elders are poorly understood and little studied. The conceptualization of SIAL provides nurses with an understanding of an understudied aging phenomenon and helps nurses understand how elders see activities related to their life priorities. The conceptual framework will facilitate future qualitative and quantitative study of SIAL, assist nurses in the development of a new gerontological nursing theory, and design of interventions for elders with activity limitations. Public health nurses with a better understanding of SIAL may be able to help elders improve or maintain their independence.

  6. Review of State Laws Restricting Local Authority to Impose Alcohol Taxes in the United States.

    Science.gov (United States)

    Mosher, James F; Adler, Sabrina S; Pamukcu, Aysha M; Treffers, Ryan D

    2017-03-01

    Building on the extensive research literature demonstrating that increasing alcohol prices reduces excessive alcohol consumption and related harms, this article presents the results of a 50-state review of local authority to tax alcohol in the United States. Between 2013 and 2015, legal databases and government websites were reviewed to collect and analyze relevant statutes, ordinances, and case law. Results reflect laws in effect as of January 1, 2015. Nineteen states allow local alcohol taxation, although 15 of those have one or more major restrictions on local authority to tax. The types of major restrictions are (a) restrictions on the type of beverage and alcohol content that can be taxed, (b) caps on local alcohol taxes, (c) restrictions on the type of retailer where taxes can be imposed, (d) restrictions on jurisdictions within the state that can levy taxes, and (e) requirements for how tax revenue can be spent. The number and severity of restrictions on local authority to tax alcohol vary across states. Previous research has shown that increases in alcohol taxes can lead to reduced excessive alcohol consumption, which provides public health and economic benefits. Taxes can also provide funds to support local prevention and treatment services. Local alcohol taxes therefore present an important policy opportunity, both in states that restrict local authority and in states where local authority exists but is underused.

  7. Imposed magnetic field and hot electron propagation in inertial fusion hohlraums

    Science.gov (United States)

    Strozzi, David J.; Perkins, L. J.; Marinak, M. M.; Larson, D. J.; Koning, J. M.; Logan, B. G.

    2015-12-01

    > . The field's main hydrodynamic effect is to significantly reduce electron thermal conduction perpendicular to the field. This results in hotter and less dense plasma on the equator between the capsule and hohlraum wall. The inner laser beams experience less inverse bremsstrahlung absorption before reaching the wall. The X-ray drive is thus stronger from the equator with the imposed field. We study superthermal, or `hot', electron dynamics with the particle-in-cell code ZUMA, using plasma conditions from HYDRA. During the early-time laser picket, hot electrons based on two-plasmon decay in the laser entrance hole (Regan et al., Phys. Plasmas, vol. 17(2), 2010, 020703) are guided to the capsule by a 70 T field. Twelve times more energy deposits in the deuterium-tritium fuel. For plasma conditions early in peak laser power, we present mono-energetic test-case studies with ZUMA as well as sources based on inner-beam stimulated Raman scattering. The effect of the field on deuterium-tritium deposition depends strongly on the source location, namely whether hot electrons are generated on field lines that connect to the capsule.

  8. Damage Characterization of EBC-SiCSiC Ceramic Matrix Composites Under Imposed Thermal Gradient Testing

    Science.gov (United States)

    Appleby, Matthew P.; Morscher, Gregory N.; Zhu, Dongming

    2014-01-01

    Due to their high temperature capabilities, Ceramic Matrix Composite (CMC) components are being developed for use in hot-section aerospace engine applications. Harsh engine environments have led to the development of Environmental Barrier Coatings (EBCs) for silicon-based CMCs to further increase thermal and environmental capabilities. This study aims at understanding the damage mechanisms associated with these materials under simulated operating conditions. A high heat-flux laser testing rig capable of imposing large through-thickness thermal gradients by means of controlled laser beam heating and back-side air cooling is used. Tests are performed on uncoated composites, as well as CMC substrates that have been coated with state-of-the-art ceramic EBC systems. Results show that the use of the EBCs may help increase temperature capability and creep resistance by reducing the effects of stressed oxidation and environmental degradation. Also, the ability of electrical resistance (ER) and acoustic emission (AE) measurements to monitor material condition and damage state during high temperature testing is shown; suggesting their usefulness as a valuable health monitoring technique. Micromechanics models are used to describe the localized stress state of the composite system, which is utilized along with ER modeling concepts to develop an electromechanical model capable of characterizing material behavior.

  9. Host-Imposed Copper Poisoning Impacts Fungal Micronutrient Acquisition during Systemic Candida albicans Infections.

    Directory of Open Access Journals (Sweden)

    Joanna Mackie

    Full Text Available Nutritional immunity is a process whereby an infected host manipulates essential micronutrients to defend against an invading pathogen. We reveal a dynamic aspect of nutritional immunity during infection that involves copper assimilation. Using a combination of laser ablation inductively coupled mass spectrometry (LA-ICP MS and metal mapping, immunohistochemistry, and gene expression profiling from infected tissues, we show that readjustments in hepatic, splenic and renal copper homeostasis accompany disseminated Candida albicans infections in the mouse model. Localized host-imposed copper poisoning manifests itself as a transient increase in copper early in the kidney infection. Changes in renal copper are detected by the fungus, as revealed by gene expression profiling and fungal virulence studies. The fungus responds by differentially regulating the Crp1 copper efflux pump (higher expression during early infection and down-regulation late in infection and the Ctr1 copper importer (lower expression during early infection, and subsequent up-regulation late in infection to maintain copper homeostasis during disease progression. Both Crp1 and Ctr1 are required for full fungal virulence. Importantly, copper homeostasis influences other virulence traits-metabolic flexibility and oxidative stress resistance. Our study highlights the importance of copper homeostasis for host defence and fungal virulence during systemic disease.

  10. Experimental verification of the imposing principle for maximum permissible levels of multicolor laser radiation

    Directory of Open Access Journals (Sweden)

    Ivashin V.A.

    2013-12-01

    Full Text Available Aims. The study presents the results of experimental research to verify the principle overlay for maximum permissible levels (MPL of multicolor laser radiation single exposure on eyes. This principle of the independence of the effects of radiation with each wavelength (the imposing principle, was founded and generalized to a wide range of exposure conditions. Experimental verification of this approach in relation to the impact of laser radiation on tissue fundus of an eye, as shows the analysis of the literature was not carried out. Material and methods. Was used in the experimental laser generating radiation with wavelengths: Л1 =0,532 microns, A2=0,556to 0,562 microns and A3=0,619to 0,621 urn. Experiments were carried out on eyes of rabbits with evenly pigmented eye bottom. Results. At comparison of results of processing of the experimental data with the calculated data it is shown that these levels are close by their parameters. Conclusions. For the first time in the Russian Federation had been performed experimental studies on the validity of multi-colored laser radiation on the organ of vision. In view of the objective coincidence of the experimental data with the calculated data, we can conclude that the mathematical formulas work.

  11. Indecibles e imposibles de la escritura: Armonía Somers y Clarice Lispector

    Directory of Open Access Journals (Sweden)

    Núria Girona

    2013-07-01

    Full Text Available Desde el psicoanálisis, el grito nos habilita una vía para abordar nuestro silencio, ese que no tiene que ver con lo audible o lo inaudible. No se trata de aislar lo no-verbal para elevar la gestualidad a un poder de paralenguaje, ni tan sólo de detectar en la presencia de ciertos elementos textuales la ausencia de lo no dicho (el socorrido blanco del papel que se maneja tipográficamente en la poesía, por ejemplo. Oponer de esta forma el silencio a la palabra respira cierta ingenuidad, como si la palabra fuera plena en sí misma. De últimas, si a la compleja madeja de lo no-dicho, lo indecible y lo inefable le añadimos “mujer”, ¿en dónde queda el silencio? Así, la extrañeza fálica puede llevar a las mujeres a inscribirse en el orden social con una eficacia distante. Armonía Somers y Clarice Lispector escenifican esta inscripción a través de una “escritura abyecta”, que busca el imposible de una realidad fuera del significado.

  12. The Seated Inactivity Trial (SIT): Physical Activity and Dietary Outcomes Associated With 8 Weeks of Imposed Sedentary Time.

    Science.gov (United States)

    Cull, Brooke J; Haub, Mark D; Rosenkranz, Richard R; Lawler, Thomas; Rosenkranz, Sara K

    2016-03-01

    Sedentary time is an independent risk factor for chronic diseases and mortality. It is unknown whether active adults alter their dietary and/or physical activity behaviors in response to imposed sedentary time, possibly modifying risk. The aim of this study was to determine whether imposed sedentary time would alter typical behaviors of active adults. Sixteen physically active, young adults were randomized to the no-intervention control (CON, n = 8) group or the sedentary-intervention (SIT, n = 8) group. SIT participants attended monitored sedentary sessions (8 wk, 10 h/wk). Assessments including diet and physical activity occurred at baseline, week 4, and week 9. There were no differences (P > .05) between CON and SIT groups for step counts or time spent in sedentary, light, moderate, or vigorous physical activity when comparing a week during imposed sedentary time (week 4) to baseline and week 9. At week 4, caloric intake was not different from baseline (P > .05) in either group. Caloric intake decreased significantly (P > .05) in SIT from baseline to week 9. Active adults did not alter physical activity or dietary behaviors during the imposed sedentary intervention. However, SIT reduced caloric intake from baseline to week 9, indicating a possible compensatory response to imposed sitting in active adults.

  13. Magnetic transition temperatures follow crystallographic symmetry in samarium under high-pressures and low-temperatures

    Science.gov (United States)

    Johnson, Craig R.; Tsoi, Georgiy M.; Vohra, Yogesh K.

    2017-02-01

    Magnetic ordering temperatures in rare earth metal samarium (Sm) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to high-pressure up to 47 GPa and low-temperature to 10 K. The two magnetic transitions at 106 K and 14 K in the α-Sm phase, attributed to antiferromagnetic ordering on hexagonal and cubic layers respectively, collapse in to one magnetic transition near 10 GPa when Sm assumes a double hexagonal close packed (dhcp) phase. On further increase in pressure above 34 GPa, the magnetic transitions split again as Sm adopts a hexagonal-hP3 structure indicating different magnetic transition temperatures for different crystallographic sites. A model for magnetic ordering for the hexagonal-hP3 phase in samarium has been proposed based on the experimental data. The magnetic transition temperatures closely follow the crystallographic symmetry during α-Sm  →  dhcp  →  fcc/dist.fcc  →  hP3 structure sequence at high-pressures and low-temperatures.

  14. Erbium-ion implantation into various crystallographic cuts of Al2O3

    Science.gov (United States)

    Nekvindova, P.; Mackova, A.; Malinsky, P.; Cajzl, J.; Svecova, B.; Oswald, J.; Wilhelm, R. A.

    2015-12-01

    This paper reports on the importance of crystallographic cuts with a different orientation on the luminescent properties and structural changes of Al2O3 implanted with Er+ ions at 190 keV and with a fluence of 1.0 × 1016 cm-2. Post-implantation annealing at 1000 °C in oxygen atmosphere was also done. The chemical compositions and erbium concentration-depth profiles of implanted layers were studied by Rutherford Backscattering Spectrometry (RBS) and compared to SRIM simulations. The same value of the maximum erbium concentration (up to 2 at.%) was observed at a depth of about 40 nm for all crystallographic cuts. The structural properties of the prepared layers were characterised by RBS/channelling. The relative amount of disordered atoms of 70-80% was observed in the prepared implanted layers and discussed for various cuts. It has been found that erbium is positioned randomly in the Al2O3 crystalline matrix, and no preferential positions appeared even after the annealing procedure. Erbium luminescence properties were measured in the wavelength range of 1440-1650 nm for all samples. As-implanted Al2O3 samples had a significant luminescence band at 1530 nm. The best luminescence was repeatedly observed in the cut of Al2O3. The annealing procedure significantly improved the luminescent properties.

  15. Crystallographic structure of Ni-Co coating on the affinity adsorption of histidine-tagged protein.

    Science.gov (United States)

    Chang, Yaw-Jen; Chen, Sheng-Zheng; Ho, Ching-Yuan

    2015-04-01

    The principle of immobilized metal affinity chromatography (IMAC) has been recently implemented for protein microarrays for the study of protein abundance and function. Ni-Co film fabricated by electrodeposition is a novel microarray surface in an alloy type for immobilizing histidine-tagged proteins based on IMAC. In this paper, the effects of crystallographic structures and surface properties of Ni-Co coatings, with and without the annealing process, on the immobilization of histidine-tagged proteins were systematically investigated. The experimental results reveal that the stronger hcp texture, due to a higher Co content, results in better affinity adsorption for histidine-tagged biotin. Nevertheless, the allotropic phase transformation from hcp to fcc, due to the annealing process, leads to the decrease of affinity adsorption. The wettability property and the surface roughness of Ni-Co coating are, however, not important factors. Obviously, the crystallographic structure of Ni-Co coating is the dominant factor for the specific affinity adsorption of histidine-tagged protein.

  16. Crystallographic superstructure in R2PdSi3 compounds (R=heavy rare earth)

    Science.gov (United States)

    Tang, Fei; Frontzek, Matthias; Dshemuchadse, Julia; Leisegang, Tilmann; Zschornak, Matthias; Mietrach, Robert; Hoffmann, Jens-Uwe; Löser, Wolfgang; Gemming, Sibylle; Meyer, Dirk C.; Loewenhaupt, Michael

    2011-09-01

    The R2PdSi3 intermetallic compounds have been reported to crystallize in a hexagonal AlB2-derived structure, with the rare earth atoms on the Al sites and Pd and Si atoms randomly distributed on the B sites. However, the intricate magnetic properties observed in the series of compounds have always suggested complications to the assumed structure. To clarify the situation, x-ray and neutron diffraction measurements were performed on the heavy rare earth compounds with R=Gd, Tb, Dy, Ho, Er, Tm, which revealed the existence of a crystallographic superstructure. The superstructure features a doubled unit cell in the hexagonal basal plane and an octuplication along the perpendicular c direction with respect to the primitive cell. No structural transition was observed between 300 and 1.5 K. Extended x-ray absorption fine structure (EXAFS) analysis as well as density functional theory (DFT) calculations were utilized to investigate the local environments of the respective atoms. In this paper the various experimental results will be presented and it will be shown that the superstructure is mainly due to the Pd-Si order on the B sites. A structure model will be proposed to fully describe the superstructure of Pd-Si order in R2PdSi3. The connection between the crystallographic superstructure and the magnetic properties will be discussed in the framework of the presented model.

  17. Reaction temperature variations on the crystallographic state of spinel cobalt aluminate.

    Science.gov (United States)

    Taguchi, Minori; Nakane, Takayuki; Hashi, Kenjiro; Ohki, Shinobu; Shimizu, Tadashi; Sakka, Yoshio; Matsushita, Akiyuki; Abe, Hiroya; Funazukuri, Toshitaka; Naka, Takashi

    2013-05-21

    In this study, we report a rapid and simple technique for obtaining cobalt aluminate having a spinel structure. The products were prepared from a hydroxide precursor synthesized by coprecipitation of cobalt (Co(2+)) and aluminum (Al(3+)) nitrates with an alkaline solution. The chosen precursor enabled low temperature fabrication of cobalt aluminate with a spinel structure by sintering it for 2 hours at low temperatures (>400 °C). Crystallographic and thermal analyses suggest that the low-temperature-sintered products contain Co(3+) ions stabilized by chemisorbed water and/or hydroxide groups, which was not observed for products sintered at temperatures higher than 1000 °C. The color of the products turned from clear blue (Thenard's blue) to dark green when sintering temperatures were below 1000 °C. Magnetic quantities, Curie constants, and Weiss temperatures show a strong dependence on the sintering temperature. These findings suggest that there are mixed valent states, i.e. Co(2+) and Co(3+), and unique cation distributions at the different crystallographic sites in the spinel structure, especially in the products sintered at lower temperatures.

  18. Synthesis of crystallographically oriented olivine aggregates using colloidal processing in a strong magnetic field

    Science.gov (United States)

    Koizumi, Sanae; Suzuki, Tohru S.; Sakka, Yoshio; Yabe, Kosuke; Hiraga, Takehiko

    2016-11-01

    This study develops a fabrication technique to obtain Fe-free and Fe-bearing (Fe:Mg = 1:9) olivine aggregates not only with high density and fine grain size but with crystallographic preferred orientation (CPO). A magnetic field (≤12 T) is applied to synthetic, fine-grained ( 120 nm), olivine particles dispersed in solvent. The alignment of certain crystallographic axes of the particles with respect to a magnetic direction is anticipated due to magnetic anisotropy of olivine. The dispersed particles are gradually consolidated on a porous alumina mold covered with a solid-liquid separation filter during drainage of the solvent. The resultant aligned consolidated aggregate is then isostatically pressed and vacuum sintered. We find that (1) preparation of fully reacted olivine particles, with less propensity to coalesce; (2) preparation of a suspension with highly dispersed particles; and (3) application of a certain strength of the magnetic field are essential to obtain well-sintered and well-aligned aggregates. High density (i.e., olivine aggregates were successfully synthesized with uniaxially aligned a- and c-axes, respectively. Attempts to uniaxially align the magnetization hard axis and to triaxially align Fe-bearing olivine by rotating the suspension in the magnetic field succeeded in obtaining weakly developed CPO aggregates.

  19. Crystallographic and electronic properties of AlCrN films that absorb visible light

    Science.gov (United States)

    Tatemizo, N.; Imada, S.; Miura, Y.; Nishio, K.; Isshiki, T.

    2017-05-01

    We investigate the crystallographic and electronic properties of wurtzite Cr-doped AlN (AlCrN) films (Cr ≤12.0%) that absorb visible light. We confirmed that the films consist of wurtzite columnar single crystals that are densely packed, c-axis oriented, and exhibit a random rotation along the a-axis in plane by using transmission electron microscopy. The oxidation state of Cr was found to be 3+ using Cr K-edge X-ray absorption near edge structure, which implies that Cr can be a substitute for Al3+ in AlN. The first nearest neighbor distances estimated using Cr K-edge extended X-ray absorption fine structure (EXAFS) were found to be nearly isotropic for incident light with electric fields that are parallel and perpendicular to the plane. The results of ab initio lattice relaxation calculations for the model of wurtzite Al1-xCrxN supercell where Cr replaces Al support the EXAFS results. The calculations for the model showed that additional energy bands are formed in the band gap of AlN, in which the Fermi energy (EF) is present. As expected from the calculation results, the electrical conductivity increases with increase in the Cr concentration, implying that the density of states at EF increases monotonically. From these results, we can conclude that AlCrN films are an intermediate band material with respect to their crystallographic and electric properties.

  20. Determination of precise crystallographic directions for mask alignment in wet bulk micromachining for MEMS

    Science.gov (United States)

    Singh, Sajal Sagar; Pal, Prem; Pandey, Ashok Kumar; Xing, Yan; Sato, Kazuo

    2016-12-01

    In wet bulk micromachining, the etching characteristics are orientation dependent. As a result, prolonged etching of mask openings of any geometric shape on both Si{100} and Si{110} wafers results in a structure defined by the slowest etching planes. In order to fabricate microstructures with high dimensional accuracy, it is vital to align the mask edges along the crystal directions comprising of these slowest etching planes. Thus, precise alignment of mask edges is important in micro/nano fabrication. As a result, the determination of accurate crystal directions is of utmost importance and is in fact the first step to ensure dimensionally accurate microstructures for improved performance. In this review article, we have presented a comprehensive analysis of different techniques to precisely determine the crystallographic directions. We have covered various techniques proposed in the span of more than two decades to determine the crystallographic directions on both Si{100} and Si{110} wafers. Apart from a detailed discussion of each technique along with their design and implementation, we have provided a critical analysis of the associated constraints, benefits and shortcomings. We have also summed up the critical aspects of each technique and presented in a tabular format for easy reference for readers. This review article comprises of an exhaustive discussion and is a handy reference for researchers who are new in the field of wet anisotropic etching or who want to get abreast with the techniques of determination of crystal directions.

  1. Conformation-changing aggregation in hydroxyacetone: a combined low-temperature FTIR, jet, and crystallographic study.

    Science.gov (United States)

    Sharma, Archna; Reva, Igor; Fausto, Rui; Hesse, Susanne; Xue, Zhifeng; Suhm, Martin A; Nayak, Susanta K; Sathishkumar, Ranganthan; Pal, Rumpa; Row, Tayur N Guru

    2011-12-21

    Aggregation in hydroxyacetone (HA) is studied using low-temperature FTIR, supersonic jet expansion, and X-ray crystallographic (in situ cryocrystallization) techniques. Along with quantum chemical methods (MP2 and DFT), the experiments unravel the conformational preferences of HA upon aggregation to dimers and oligomers. The O-H···O═C intramolecular hydrogen bond present in the gas-phase monomer partially opens upon aggregation in supersonic expansions, giving rise to intermolecular cooperatively enhanced O-H···O-H hydrogen bonds in competition with isolated O-H···O═C hydrogen bonds. On the other hand, low-temperature IR studies on the neat solid and X-ray crystallographic data reveal that HA undergoes profound conformational changes upon crystallization, with the HOCC dihedral angle changing from ~0° in the gas phase to ~180° in the crystalline phase, hence giving rise to a completely new conformation. These conclusions are supported by theoretical calculations performed on the geometry derived from the crystalline phase. © 2011 American Chemical Society

  2. The fourth crystallographic closest packing unveiled in the gold nanocluster crystal

    Science.gov (United States)

    Gan, Zibao; Chen, Jishi; Wang, Juan; Wang, Chengming; Li, Man-Bo; Yao, Chuanhao; Zhuang, Shengli; Xu, An; Li, Lingling; Wu, Zhikun

    2017-03-01

    Metal nanoclusters have recently attracted extensive interest not only for fundamental scientific research, but also for practical applications. For fundamental scientific research, it is of major importance to explore the internal structure and crystallographic arrangement. Herein, we synthesize a gold nanocluster whose composition is determined to be Au60S6(SCH2Ph)36 by using electrospray ionization mass spectrometry and single crystal X-ray crystallography (SCXC). SCXC also reveals that Au60S6(SCH2Ph)36 consists of a fcc-like Au20 kernel protected by a pair of giant Au20S3(SCH2Ph)18 staple motifs, which contain 6 tetrahedral-coordinate μ4-S atoms not previously reported in the Au-S interface. Importantly, the fourth crystallographic closest-packed pattern, termed 6H left-handed helical (6HLH) arrangement, which results in the distinct loss of solid photoluminescence of amorphous Au60S6(SCH2Ph)36, is found in the crystals of Au60S6(SCH2Ph)36. The solvent-polarity-dependent solution photoluminescence is also demonstrated. Overall, this work provides important insights about the structure, Au-S bonding and solid photoluminescence of gold nanoclusters.

  3. Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP.

    Science.gov (United States)

    Bayden, Alexander S; Moustakas, Demetri T; Joseph-McCarthy, Diane; Lamb, Michelle L

    2015-08-24

    The SZMAP method computes binding free energies and the corresponding thermodynamic components for water molecules in the binding site of a protein structure [ SZMAP, 1.0.0 ; OpenEye Scientific Software Inc. : Santa Fe, NM, USA , 2011 ]. In this work, the ability of SZMAP to predict water structure and thermodynamic stability is examined for the X-ray crystal structures of a series of protein-ligand complexes. SZMAP results correlate with higher-level replica exchange thermodynamic integration double decoupling calculations of the absolute free energy of bound waters in the test set complexes. In addition, SZMAP calculations show good agreement with experimental data in terms of water conservation (across multiple crystal structures) and B-factors over a subset of the test set. In particular, the SZMAP neutral entropy difference term calculated at crystallographic water positions within each of the complex structures correlates well with whether that crystallographic water is conserved or displaceable. Furthermore, the calculated entropy of the water probe relative to the continuum shows a significant degree of correlation with the B-factors associated with the oxygen atoms of the water molecules. Taken together, these results indicate that SZMAP is capable of quantitatively predicting water positions and their energetics and is potentially a useful tool for determining which waters to attempt to displace, maintain, or build in through water-mediated interactions when evolving a lead series during a drug discovery program.

  4. Development of Microstructure and Crystallographic Texture in a Double-Sided Friction Stir Welded Microalloyed Steel

    Science.gov (United States)

    Rahimi, S.; Wynne, B. P.; Baker, T. N.

    2017-01-01

    The evolution of microstructure and crystallographic texture has been investigated in double-sided friction stir welded microalloyed steel, using electron backscatter diffraction (EBSD). The microstructure analyses show that the center of stirred zone reached a temperature between Ac1 and Ac3 during FSW, resulting in a dual-phase austenitic/ ferritic microstructure. The temperatures in the thermo-mechanically affected zone and the overlapped area between the first and second weld pass did not exceed the Ac1. The shear generated by the rotation probe occurs in austenitic/ferritic phase field where the austenite portion of the microstructure is transformed to a bainitic ferrite, on cooling. Analysis of crystallographic textures with regard to shear flow lines generated by the probe tool shows the dominance of simple shear components across the whole weld. The austenite texture at Ac1 - Ac3 is dominated by the B { {1bar{1}2} }stirred zone and the ferrites in the thermo-mechanically affected zones and the overlapped area underwent shear deformation with textures dominated by the D1 { {bar{1}bar{1}2} }weld pass. This is due to continuous dynamic strain-induced recrystallization as a result of simultaneous severe shear deformation and drastic undercooling.

  5. Enhancing nanoscale SEM image segmentation and reconstruction with crystallographic orientation data and machine learning

    Energy Technology Data Exchange (ETDEWEB)

    Converse, Matthew I., E-mail: mconverse85@yahoo.com; Fullwood, David T.

    2013-09-15

    Current methods of image segmentation and reconstructions from scanning electron micrographs can be inadequate for resolving nanoscale gaps in composite materials (1–20 nm). Such information is critical to both accurate material characterizations and models of piezoresistive response. The current work proposes the use of crystallographic orientation data and machine learning for enhancing this process. It is first shown how a machine learning algorithm can be used to predict the connectivity of nanoscale grains in a Nickel nanostrand/epoxy composite. This results in 71.9% accuracy for a 2D algorithm and 62.4% accuracy in 3D. Finally, it is demonstrated how these algorithms can be used to predict the location of gaps between distinct nanostrands — gaps which would otherwise not be detected with the sole use of a scanning electron microscope. - Highlights: • A method is proposed for enhancing the segmentation/reconstruction of SEM images. • 3D crystallographic orientation data from a nickel nanocomposite is collected. • A machine learning algorithm is used to detect trends in adjacent grains. • This algorithm is then applied to predict likely regions of nanoscale gaps. • These gaps would otherwise be unresolved with the sole use of an SEM.

  6. CRYSNET manual. Informal report. [Hardware and software of crystallographic computing network

    Energy Technology Data Exchange (ETDEWEB)

    None,

    1976-07-01

    This manual describes the hardware and software which together make up the crystallographic computing network (CRYSNET). The manual is intended as a users' guide and also provides general information for persons without any experience with the system. CRYSNET is a network of intelligent remote graphics terminals that are used to communicate with the CDC Cyber 70/76 computing system at the Brookhaven National Laboratory (BNL) Central Scientific Computing Facility. Terminals are in active use by four research groups in the field of crystallography. A protein data bank has been established at BNL to store in machine-readable form atomic coordinates and other crystallographic data for macromolecules. The bank currently includes data for more than 20 proteins. This structural information can be accessed at BNL directly by the CRYSNET graphics terminals. More than two years of experience has been accumulated with CRYSNET. During this period, it has been demonstrated that the terminals, which provide access to a large, fast third-generation computer, plus stand-alone interactive graphics capability, are useful for computations in crystallography, and in a variety of other applications as well. The terminal hardware, the actual operations of the terminals, and the operations of the BNL Central Facility are described in some detail, and documentation of the terminal and central-site software is given. (RWR)

  7. The Structural Biology Center 19ID undulator beamline: facility specifications and protein crystallographic results.

    Science.gov (United States)

    Rosenbaum, Gerd; Alkire, Randy W; Evans, Gwyndaf; Rotella, Frank J; Lazarski, Krzystof; Zhang, Rong Guang; Ginell, Stephan L; Duke, Norma; Naday, Istvan; Lazarz, Jack; Molitsky, Michael J; Keefe, Lisa; Gonczy, John; Rock, Larry; Sanishvili, Ruslan; Walsh, Martin A; Westbrook, Edwin; Joachimiak, Andrzej

    2006-01-01

    The 19ID undulator beamline of the Structure Biology Center has been designed and built to take full advantage of the high flux, brilliance and quality of X-ray beams delivered by the Advanced Photon Source. The beamline optics are capable of delivering monochromatic X-rays with photon energies from 3.5 to 20 keV (3.5-0.6 A wavelength) with fluxes up to 8-18 x 10(12) photons s(-1) (depending on photon energy) onto cryogenically cooled crystal samples. The size of the beam (full width at half-maximum) at the sample position can be varied from 2.2 mm x 1.0 mm (horizontal x vertical, unfocused) to 0.083 mm x 0.020 mm in its fully focused configuration. Specimen-to-detector distances of between 100 mm and 1500 mm can be used. The high flexibility, inherent in the design of the optics, coupled with a kappa-geometry goniometer and beamline control software allows optimal strategies to be adopted in protein crystallographic experiments, thus maximizing the chances of their success. A large-area mosaic 3 x 3 CCD detector allows high-quality diffraction data to be measured rapidly to the crystal diffraction limits. The beamline layout and the X-ray optical and endstation components are described in detail, and the results of representative crystallographic experiments are presented.

  8. Mode decomposition based on crystallographic symmetry in the band-unfolding method

    Science.gov (United States)

    Ikeda, Yuji; Carreras, Abel; Seko, Atsuto; Togo, Atsushi; Tanaka, Isao

    2017-01-01

    The band-unfolding method is widely used to calculate the effective band structures of a disordered system from its supercell model. The unfolded band structures show the crystallographic symmetry of the underlying structure, where the difference of chemical components and the local atomic relaxation are ignored. However, it has still been difficult to decompose the unfolded band structures into the modes based on the crystallographic symmetry of the underlying structure, and therefore detailed analyses of the unfolded band structures have been restricted. In this study, a procedure to decompose the unfolded band structures according to the small representations (SRs) of the little groups is developed. The decomposition is performed using the projection operators for SRs derived from the group representation theory. The current method is employed to investigate the phonon band structure of disordered face-centered-cubic Cu0.75Au0.25 , which has large variations of atomic masses and force constants among the atomic sites due to the chemical disorder. In the unfolded phonon band structure, several peculiar behaviors such as discontinuous and split branches are found in the decomposed modes corresponding to specific SRs. They are found to occur because different combinations of the chemical elements contribute to different regions of frequency.

  9. A critical role of lateral hypothalamus in context-induced relapse to alcohol seeking after punishment-imposed abstinence.

    Science.gov (United States)

    Marchant, Nathan J; Rabei, Rana; Kaganovsky, Konstantin; Caprioli, Daniele; Bossert, Jennifer M; Bonci, Antonello; Shaham, Yavin

    2014-05-28

    In human alcoholics, abstinence is often self-imposed, despite alcohol availability, because of the negative consequences of excessive use. During abstinence, relapse is often triggered by exposure to contexts associated with alcohol use. We recently developed a rat model that captures some features of this human condition: exposure to the alcohol self-administration environment (context A), after punishment-imposed suppression of alcohol self-administration in a different environment (context B), provoked renewal of alcohol seeking in alcohol-preferring P rats. The mechanisms underlying context-induced renewal of alcohol seeking after punishment-imposed abstinence are unknown. Here, we studied the role of the lateral hypothalamus (LH) and its forebrain projections in this effect. We first determined the effect of context-induced renewal of alcohol seeking on Fos (a neuronal activity marker) expression in LH. We next determined the effect of LH reversible inactivation by GABAA + GABAB receptor agonists (muscimol + baclofen) on this effect. Finally, we determined neuronal activation in brain areas projecting to LH during context-induced renewal tests by measuring double labeling of the retrograde tracer cholera toxin subunit B (CTb; injected in LH) with Fos. Context-induced renewal of alcohol seeking after punishment-imposed abstinence was associated with increased Fos expression in LH. Additionally, renewal was blocked by muscimol + baclofen injections into LH. Finally, double-labeling analysis of CTb + Fos showed that context-induced renewal of alcohol seeking after punishment-imposed abstinence was associated with selective activation of accumbens shell neurons projecting to LH. The results demonstrate an important role of LH in renewal of alcohol seeking after punishment-imposed abstinence and suggest a role of accumbens shell projections to LH in this form of relapse.

  10. Quantification of reflex activity in stroke survivors during an imposed multi-joint leg extension movement.

    Science.gov (United States)

    Black, Iian; Nichols, Diane; Pelliccio, Marlena; Hidler, Joseph

    2007-11-01

    The goal of this study was to compare short- and long-latency reflex responses in eight major lower-extremity muscle groups following an imposed multi-joint leg movement between a group of 14 chronic (>1 year) stroke survivors and 10 healthy age-matched controls, and to investigate the influence of joint velocities and muscle excitation levels on these reflex responses in each respective group. Subjects were seated with their foot anchored to a sliding footplate that could extend their leg. Prior to the leg being moved, subjects were instructed to pre-activate hip and knee flexors and extensors. Feedback of joint torque was used to help subjects activate muscles over a range of excitation levels. Following pre-activation, the subject's leg was passively extended so the knee or hip joint rotated at one of three different speeds (30, 60, and 120 degrees /s). In general, it was found that the magnitude of stroke survivors' reflex response was greater compared to controls' in certain biarticular muscles, notably the gastrocnemius and medial hamstring, and the uniarticular adductor longus, and that the long-latency reflex component (between 40 and 150 ms post-movement) accounted for most of the observed differences. Furthermore, while reflex response amplitudes increased in both groups with increasing movement speed, the rate of increase was significantly larger in stroke subjects than in controls. Clinically, these findings may help explain why stroke survivors walk slowly since it is under these conditions that reflex responses better emulate those of their able-bodied counterparts.

  11. Assessment of the sensory and physical limitations imposed by leprosy in a Brazilian Amazon Population.

    Science.gov (United States)

    Aben-Athar, Cintia Yolette Urbano Pauxis; Lima, Sandra Souza; Ishak, Ricardo; Vallinoto, Antonio Carlos Rosário

    2017-01-01

    Leprosy often results in sensory and physical limitations. This study aimed to evaluate these limitations using a quantitative approach in leprosy patients in Belém (Pará, Brazil). This epidemiological, cross-sectional study measured the sensory impairment of smell and taste through the use of a questionnaire and evaluated activity limitations of daily life imposed by leprosy through the Screening of Activity Limitation and Safety Awareness (SALSA) Scale. Data were collected from 84 patients and associations between the degree of disability and clinical and epidemiological characteristics were assessed. The majority of patients were men (64.3%), married (52.4%), age 31-40 years old (26.2%), had primary education (50%), and were independent laborers (36.9%). The multibacillary operational classification (81%), borderline clinical form (57.1%), and 0 degrees of physical disability (41.7%) were predominant. SALSA scores ranged from 17 to 59 points, and being without limitations was predominant (53.6%). The risk awareness score ranged from 0 to 8, with a score of 0 (no awareness of risk) being the most common (56%). Evaluation of smell and taste sensory sensitivities revealed that 70.2% did not experience these sensory changes. Patients with leprosy reactions were 7 times more likely to develop activity limitations, and those who had physical disabilities were approximately four times more likely to develop a clinical picture of activity limitations. Most patients showed no sensory changes, but patients with leprosy reactions were significantly more likely to develop activity limitations. Finally, further studies should be performed, assessing a higher number of patients to confirm the present results.

  12. RBP-J imposes a requirement for ITAM-mediated costimulation of osteoclastogenesis.

    Science.gov (United States)

    Li, Susan; Miller, Christine H; Giannopoulou, Eugenia; Hu, Xiaoyu; Ivashkiv, Lionel B; Zhao, Baohong

    2014-11-01

    Osteoclastogenesis requires activation of RANK signaling as well as costimulatory signals from immunoreceptor tyrosine-based activation motif-containing (ITAM-containing) receptors/adaptors, predominantly tyrosine kinase-binding proteins DAP12 and FcRγ, in osteoclast precursors. It is not well understood how costimulatory signals are regulated and integrated with RANK signaling. Here, we found that osteopetrotic bone phenotypes in mice lacking DAP12 or DAP12 and FcRγ are mediated by the transcription factor RBP-J, as deletion of Rbpj in these mice substantially rescued the defects of bone remodeling. Using a TNF-α-induced model of inflammatory bone resorption, we determined that RBP-J deficiency enables TNF-α to induce osteoclast formation and bone resorption in DAP12-deficient animals. Thus, RBP-J imposes a requirement for ITAM-mediated costimulation of RANKL or TNF-α-induced osteoclastogenesis. Mechanistically, RBP-J suppressed induction of key osteoclastogenic factors NFATc1, BLIMP1, and c-FOS by inhibiting ITAM-mediated expression and function of PLCγ2 and activation of downstream calcium-CaMKK/PYK2 signaling. Moreover, RBP-J suppressed Plcg2 expression and downstream calcium oscillations indirectly by a TGF-β/PLCγ2/calcium axis. Together, our findings indicate that RBP-J suppresses ITAM-mediated costimulation, thereby limiting crosstalk between ITAM and RANK/TNFR signaling and allowing fine tuning of osteoclastogenesis during bone homeostasis and under inflammatory conditions. Furthermore, these data suggest that environmental cues that regulate RBP-J expression/function potentially modulate the requirement for costimulatory signaling for osteoclast differentiation and bone remodeling.

  13. Human health safety evaluation of cosmetics in the EU: a legally imposed challenge to science.

    Science.gov (United States)

    Pauwels, M; Rogiers, V

    2010-03-01

    As stated in the European legislation, cosmetic products present on the European market must be safe for the consumer. Safety evaluation of the products is carried out by a qualified safety assessor who needs to consider potential exposure scenarios next to the physicochemical and toxicological profiles of all composing ingredients. Whereas, until recently, the tools to determine the toxicological profile of cosmetic ingredients mainly consisted of animal experiments, they have now been narrowed down substantially by the legally imposed animal testing ban on cosmetic ingredients, taken up in the Cosmetic Products Directive (76/768/EEC). This Directive, however, is not a stand-alone piece of European legislation, since as well directly as indirectly it is influenced by a complex web of related legislations. Vertical legislations deal with different categories of chemicals, including dangerous substances, biocides, plant protection products, food additives, medicinal products, and of course also cosmetics. Horizontal legislative texts, on the contrary, cover more general fields such as protection of experimental animals, consumer product safety, misleading of consumers, specific provisions for aerosols, and others. Experience has learnt that having a general overview of these related legislations is necessary to understand their impact on the cosmetic world in general terms and on cosmetic safety evaluation in particular. This goes for a variety of concerned parties, including national and European regulators/agencies, contract laboratories, raw material suppliers, cosmetic companies, research and educational centers. They all deal with a number of aspects important for the quality and toxicity of cosmetics and their ingredients. This review summarises the most relevant points of the legislative texts of different types of product categories and emphasises their impact on the safety evaluation of cosmetics.

  14. Amino acid substrates impose polyamine, eIF5A, or hypusine requirement for peptide synthesis.

    Science.gov (United States)

    Shin, Byung-Sik; Katoh, Takayuki; Gutierrez, Erik; Kim, Joo-Ran; Suga, Hiroaki; Dever, Thomas E

    2017-08-21

    Whereas ribosomes efficiently catalyze peptide bond synthesis by most amino acids, the imino acid proline is a poor substrate for protein synthesis. Previous studies have shown that the translation factor eIF5A and its bacterial ortholog EF-P bind in the E site of the ribosome where they contact the peptidyl-tRNA in the P site and play a critical role in promoting the synthesis of polyproline peptides. Using misacylated Pro-tRNAPhe and Phe-tRNAPro, we show that the imino acid proline and not tRNAPro imposes the primary eIF5A requirement for polyproline synthesis. Though most proline analogs require eIF5A for efficient peptide synthesis, azetidine-2-caboxylic acid, a more flexible four-membered ring derivative of proline, shows relaxed eIF5A dependency, indicating that the structural rigidity of proline might contribute to the requirement for eIF5A. Finally, we examine the interplay between eIF5A and polyamines in promoting translation elongation. We show that eIF5A can obviate the polyamine requirement for general translation elongation, and that this activity is independent of the conserved hypusine modification on eIF5A. Thus, we propose that the body of eIF5A functionally substitutes for polyamines to promote general protein synthesis and that the hypusine modification on eIF5A is critically important for poor substrates like proline. Published by Oxford University Press on behalf of Nucleic Acids Research 2017.

  15. Leaf morphological and physiological adjustments to the spectrally selective shade imposed by anthocyanins in Prunus cerasifera.

    Science.gov (United States)

    Kyparissis, A; Grammatikopoulos, G; Manetas, Y

    2007-06-01

    Prunus domestica L. has green leaves, whereas Prunus cerasifera Ehrh. var. atropurpurea has red leaves due to the presence of mesophyll anthocyanins. We compared morphological and photosynthetic characteristics of leaves of these species, which were sampled from shoots grafted in pairs on P. domestica rootstocks, each pair comprising one shoot of each species. Two hypotheses were tested: (1) anthocyanins protect red leaves against photoinhibition; and (2) red leaves display shade characteristics because of light attenuation by anthocyanins. Parameters were measured seasonally, during a period of increasing water stress, which caused a similar drop in shoot water potential in each species. As judged by predawn measurements of maximum PSII yield, chronic photoinhibition did not develop in either species and, despite the anthocyanic screen, the red leaves of P. cerasifera displayed lower light-adapted PSII yields and higher non-photochemical quenching than the green leaves of P. domestica. Thus, it appears that, in this system, anthocyanins afford little photoprotection. As predicted by the shade acclimation hypothesis, red leaves were thinner and had a lower stomatal frequency, area- based CO2 assimilation rate, apparent carboxylation efficiency and chlorophyll a:b ratio than green leaves. However, red leaves were similar to green leaves in conductivity to water vapor diffusion, dry-mass-based chlorophyll concentrations and carotenoid:chlorophyll ratios. The data for red leaves indicate adaptations to a green-depleted, red-enriched shade, rather than a neutral or canopy-like shade. Thus, green light attenuation by anthocyanins may impose a limitation on leaf thickness. Moreover, the selective depletion of light at wavelengths that are preferentially absorbed by PSII and chlorophyll b may lead to adjustments in chlorophyll pigment ratios to compensate for the uneven spectral distribution of internal light. The apparent photosynthetic cost associated with lost photons

  16. Possible Weakening Processes Imposed on California's Earthen Levees under Protracted Drought

    Science.gov (United States)

    Robinson, J. D.; Vahedifard, F.; AghaKouchak, A.

    2015-12-01

    California is currently suffering from a multiyear extreme drought and the impacts of the drought are anticipated to worsen in a warming climate. The resilience of critical infrastructure under extreme drought conditions is a major concern which has not been well understood. Thus, there is a crucial need to improve our understanding about the potential threats of drought on infrastructure and take subsequent actions in a timely manner to mitigate these threats and adopt our infrastructure for forthcoming extreme events. The need is more pronounced for earthen levees, since their functionality to protect limited water resources and dryland is more critical during drought. A significant amount of California's levee systems are currently operating under a high risk condition. Protracted drought can further threaten the structural competency of these already at-risk levee systems through several thermo-hydro mechanical weakening processes that undermine their stability. Viable information on the implications of these weakening processes, particularly on California's earthen levees, is relatively incomplete. This article discusses, from a geotechnical engineering perspective, how California's protracted drought might threaten the integrity of levee systems through the imposition of several thermo-hydro mechanical weakening processes. Pertinent facts and statistics regarding the drought in California are presented and discussed. Catastrophic levee failures and major damages resulting from drought-induce weakening processes such as shear strength reduction, desiccation cracking, land subsidence and surface erosion, fissuring and soil softening, and soil carbon oxidation are discussed to illustrate the devastating impacts that the California drought might impose on existing earthen levees. This article calls for further research in light of these potential drought-inducing weakening mechanisms to support mitigation strategies for reducing future catastrophic levee failures.

  17. Granular avalanches in a two-dimensional rotating drum with imposed vertical vibration.

    Science.gov (United States)

    Amon, Daniel L; Niculescu, Tatiana; Utter, Brian C

    2013-07-01

    We present statistics on granular avalanches in a rotating drum with and without imposed vertical vibration. The experiment consists of a quasi-two-dimensional, vertical drum containing pentagonal particles and rotated at a constant angular velocity. The drum rests on an electromagnetic shaker to allow vibration of the assembly as it rotates. We measure time series of the slope of the interface and find that the critical angle for slope failure θ(c) and the resulting angle of repose θ(r) are broadly distributed with an approximate power-law distribution of avalanches θ(c)-θ(r) for large avalanches. The faceted pentagonal grains used lead to significant interlocking with critical and repose angles (θ(c)≈45° and θ(r)≈39°) larger than experiments using spherical grains, even with vibration, and avalanche magnitudes correlated with the prior build-up and anti-correlated with the prior avalanche. We find that the stability of the assembly increases with small vibrations and is destabilized at vibration amplitudes above a dimensionless acceleration (peak acceleration divided by acceleration due to gravity) of Γ=0.2. We also study history dependence of the avalanches by periodically oscillating the drum to compare the initial avalanche upon reversal of shear to steady-state distributions for avalanches during continuous rotation. We observe history dependence as an initial decrease in critical angle upon reversal of the drum rotation direction, indicating that a texture is induced to resist continued shear such that the surface is weaker to reversals in shear direction. Memory of this history is removed by sufficient external vibration (Γ≥0.8), which leads to compaction and relaxation of the surface layer grains responsible for avalanching dynamics, as initial and steady-state avalanche distributions become indistinguishable.

  18. Comparison of three calcium phosphate bone graft substitutes from biomechanical, histological, and crystallographic perspectives using a rat posterolateral lumbar fusion model

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Ming-Hsien [Department of Biomedical Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Department of Orthopedics, Show-Chwan Memorial Hospital, Changhua 50544, Taiwan (China); Department of Orthopedic Surgery, Faculty of Medicine, National Yang-Ming University, Taipei 112, Taiwan (China); Lee, Pei-Yuan [Department of Biomedical Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Department of Orthopedics, Show-Chwan Memorial Hospital, Changhua 50544, Taiwan (China); Chen, Wen-Cheng, E-mail: wincheng0925@yahoo.com.tw [Department of Fiber and Composite Materials, College of Engineering, Feng Chia University, Taichung 40724, Taiwan (China); Hu, Jin-Jia, E-mail: jjhu@mail.ncku.edu.tw [Department of Biomedical Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Medical Device Innovation Center, National Cheng Kung University, Tainan 701, Taiwan (China)

    2014-12-01

    This study evaluated the effectiveness of three calcium phosphate bone graft substitutes with different chemical compositions on spinal fusion using a rat posterolateral lumbar fusion model. Specifically, two recently developed non-dispersive tetracalcium phosphate/dicalcium phosphate anhydrous-based calcium phosphate cements (CPCs), namely a CPC consisting of equimolar amounts of the two compounds (nd-CPC) and a CPC consisting of a two-fold greater amount of dicalcium phosphate anhydrous (DCP-rich CPC), were compared with a commercial calcium phosphate bone graft (c-CPG) consisting of hydroxyapatite (60%) and β-tricalcium phosphate (40%). Single-level posterolateral lumbar fusion was performed at the L4–L5 vertebrae in fifteen adult rats (n = 5 for each group). Spinal fusion was evaluated with radiographs, manual palpation, mechanical testing, micro-CT, and histology 8 weeks post-surgery. In particular, the crystallographic phases in the three substitutes were identified before and 8 weeks after their implantation. Manual palpation revealed stable constructs in nearly all of the spine specimens. The stiffness and bending load of fused spines in the two CPC groups were comparable to those in the c-CPG group. The radiographs specifically revealed implant resorption and bone remodeling in the DCP-rich CPC group. Analysis of 3D micro-CT images revealed that the bone volume ratio in the DCP-rich CPC group was significantly greater than those in the nd-CPC and c-CPG groups. Histology showed that the DCP-rich CPC group exhibited the highest degree of bone regeneration and osseointegration. Notably, DCP-rich CPC led to a pronounced phase transformation, generating the greatest amount of poorly crystalline apatite among the three groups, which together with adequate resorption may explain the aforementioned positive findings. We therefore conclude that of the bone graft substitutes considered, DCP-rich CPC has the greatest potential to be used in spinal fusion

  19. Effect of crystallographic orientation on hillock formation in thermally cycled large grain tin films

    Science.gov (United States)

    Koppes, John Patrick

    Tin whiskers and hillocks grow spontaneously from the surfaces of polycrystalline Sn films at room temperature. Whiskers can grow long enough to cause short circuits in electronic devices. We hypothesized that the anisotropies of the crystal structure lead to locally high strain energies that are relieved by the growth of whiskers and hillocks. This research studies hillock formations on large grain Sn-alloy films relative to the crystallographic orientations of the adjacent grains. Large grain films were produced by solidifying 96.5wt% Sn - 3wt% Ag - 0.5wt% Cu solder alloy on a Cu substrate. These surface defects (hillocks) grew predominately at grain boundaries during thermal cycling. The formation of the surface defects between two grains created a pseudo-bi-crystal sample geometry, making it ideal for studying surface defects relative to the local crystallographic orientations and the grains' corresponding anisotropic properties. The crystallographic orientations of the grains were studied with Electron Backscatter Diffraction (EBSD) and Laue micro-diffraction at the Lawrence Berkeley National Laboratory Advanced Light Source. Local orientation studies of the surface defects and the surrounding grains indicated that the surface defects nucleated and grew with low dislocation densities. In addition, the linear surface defect densities along the grain boundaries were measured and observed to change as a function of orientation. The change in linear defect density with respect to orientation was due, in part, to the anisotropy of the coefficient of thermal expansion of β-Sn. In addition, it was important to account for elastic anisotropies. The elastic stresses, strains, and strain energy densities of the microstructures were determined with Object Oriented Finite element analysis. The simulations indicated that during thermal cycling the local stresses exceeded the yield strength. As a result, the highest linear defect densities did not occur at orientations

  20. The peculiarities of the crystallographics modification of a tissues from corpse during putrefactive corpse transformation

    Directory of Open Access Journals (Sweden)

    Fedorova Е.А.

    2013-12-01

    Full Text Available Background. The crystallographic method was used to study the extracts of organs and blood in forensic medicine is not developed yet. However, it is fairly easy to use and does not require additional special equipment, so there is quite promising. Objective. The aim of research are became basis of possibility and effectively to use by thezygraphy method for medico-legal definition of prescription of approach of death by tissue of a corpse during its putrefaction. Methods. Thezygraphy method is used a modification of crystallogramms during dynamics postmortem period for medico-legal definition of prescription of approach of death. Sectional material consisted of the corpses of people who died from violent and nonviolent death in the age range from 18 to 92 years. All the bodies after death were preserved in the same temperature conditions. The tissues from various internal organs: brain, heart, lungs, kidneys, liver, spleen and blood from 30 cadavers were the object of sectional study. There for 939 biological objects were investigated. Results. The article deals with generalization the crystallography (thezigraphy observation of crystallogramms from different tissues extract and blood depending on the different cause of violent and nonviolent death. The main purpose is to identify common crystallogramms features of the extracts of internal organs taken during putrefactive corpse transformation of people who died from various kinds of death. It has been proved that: 1.The typical сrystallogramms were formed from various tissue extracts: blood, brain, heart, lungs, liver, kidneys, spleen in first day after of approach of death, depending on the cause of deaths. 2. In the dynamics of postmortem period and putrefactive transformation of the corpses (first week the dynamic changes occur in crystallographic patterns obtained from extracts of the internal organs, and they can be used to establish the approach of death. Conclusion. The thezygraphy

  1. 25 CFR 900.46 - What requirements are imposed upon the Secretary for financial management by these standards?

    Science.gov (United States)

    2010-04-01

    ... financial management by these standards? 900.46 Section 900.46 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT... Management Systems Standards for Financial Management Systems § 900.46 What requirements are imposed upon the Secretary for financial management by these standards? The Secretary shall establish procedures,...

  2. 75 FR 35846 - In the Matter of Babcock & Wilcox Nuclear Operations Group, Inc., Lynchburg, VA; Order Imposing...

    Science.gov (United States)

    2010-06-23

    ... From the Federal Register Online via the Government Publishing Office NUCLEAR REGULATORY COMMISSION In the Matter of Babcock & Wilcox Nuclear Operations Group, Inc., Lynchburg, VA; Order Imposing Civil Monetary Penalty I Babcock & Wilcox Nuclear Operations Group, Inc., (Licensee) is the holder...

  3. 76 FR 70544 - OFAC Implementation of Certain Sanctions Imposed on Seven Persons by the Secretary of State...

    Science.gov (United States)

    2011-11-14

    ... International Emergency Economic Powers Act (50 U.S.C. 1701-1706), to implement certain of the sanctions imposed... LTD; a.k.a. PETROCHEMICAL TRADING COMPANY LIMITED; a.k.a. ``PCCI''), P.O. Box 261539, Jebel Ali, Dubai... Group, ROG Corporate Office, Royal Oyster General Trading LLC, P.O. Box 34299, Dubai, United...

  4. 42 CFR 411.12 - Charges imposed by an immediate relative or member of the beneficiary's household.

    Science.gov (United States)

    2010-10-01

    ...) Father-in-law, mother-in-law, son-in-law, daughter-in-law, brother-in-law, or sister-in-law. (5... if the physician who ordered or supervised the services has an excluded relationship to the... provider or supplier if the owner has an excluded relationship to the beneficiary; and (ii) Charges imposed...

  5. 45 CFR 261.55 - Under what circumstances will we reduce the amount of the penalty for not properly imposing...

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 2 2010-10-01 2010-10-01 false Under what circumstances will we reduce the amount of the penalty for not properly imposing penalties on individuals? 261.55 Section 261.55 Public... What Penalties Apply to States Related to Work Requirements? § 261.55 Under what circumstances will we...

  6. Magnitude of Increased Infliximab Clearance Imposed by Anti-infliximab Antibodies in Crohn's Disease Is Determined by Their Concentration

    DEFF Research Database (Denmark)

    Edlund, Helena; Steenholdt, Casper; Ainsworth, Mark A

    2017-01-01

    . The anti-IFX Ab concentrations were superior to the binary classifications, indicating that the magnitude of increase in IFX clearance imposed by anti-IFX Abs closely relates to their concentration. Furthermore, total anti-IFX Ab concentrations appeared superior to the unbound neutralizing fraction...

  7. Effects of Experimentally Imposed Noise on Task Performance of Black Children Attending Day Care Centers Near Elevated Subway Trains.

    Science.gov (United States)

    Hambrick-Dixon, Priscilla Janet

    1986-01-01

    Investigates whether an experimentally imposed 80dB (A) noise affected psychomotor, serial memory words and pictures, incidental memory, visual recall, paired associates, perceptual learning, and coding performance of five-year-old Black children attending day care centers near and far from elevated subways. (HOD)

  8. Heat transfer for Marangoni convection over a vapor-liquid interface due to an imposed temperature gradient

    Institute of Scientific and Technical Information of China (English)

    Xiaoyan Sheng; Liancun Zheng; Xinxin Zhang

    2008-01-01

    A similarity analysis for Marangoni convection induced flow over a vapor-liquid interface due to an imposed temperature gradient was carried out. The analysis assumes that the surface tension varies linearly with temperature but the temperature variation is a power law function of the location. The similarity solutions are presented numerically and the associated transfer characteristics are discussed.

  9. 14 CFR 382.55 - May carriers impose security screening procedures for passengers with disabilities that go beyond...

    Science.gov (United States)

    2010-01-01

    ... procedures for passengers with disabilities that go beyond TSA requirements or those of foreign governments... with disabilities that go beyond TSA requirements or those of foreign governments? (a) All passengers... impose security screening procedures for passengers with disabilities that go beyond those mandated by...

  10. 76 FR 56866 - Bureau of Economic, Energy and Business Affairs; Persons on Whom Sanctions Have Been Imposed...

    Science.gov (United States)

    2011-09-14

    ... of State in the Presidential Memorandum of September 23, 2010, 75 FR 67025 (the ``Delegation....; --Associated Shipbroking (a.k.a. SAM); --Belarusneft (see Public Notice 7408, 76 FR 18821, April 5, 2011... of Economic, Energy and Business Affairs; Persons on Whom Sanctions Have Been Imposed Under the...

  11. 78 FR 21183 - Persons on Whom Sanctions Have Been Imposed Under the Iran Sanctions Act of 1996 and the Iran...

    Science.gov (United States)

    2013-04-09

    ... on Whom Sanctions Have Been Imposed Under the Iran Sanctions Act of 1996 and the Iran Threat... persons have engaged in sanctionable activity described in section 5(a)(8) of the Iran Sanctions Act of...''), that the following persons have engaged in sanctionable activity described in section 212 of the...

  12. Health economic burden that different wound types impose on the UK's National Health Service.

    Science.gov (United States)

    Guest, Julian F; Ayoub, Nadia; McIlwraith, Tracey; Uchegbu, Ijeoma; Gerrish, Alyson; Weidlich, Diana; Vowden, Kathryn; Vowden, Peter

    2017-04-01

    The aim of this study was to estimate the patterns of care and annual levels of health care resource use attributable to the management of different wound types by the UK's National Health Service (NHS) in 2012/2013 and the annual costs incurred by the NHS in managing them. This was a retrospective cohort analysis of the records of 2000 patients in The Health Improvement Network (THIN) Database. Patients' characteristics, wound-related health outcomes and all health care resource use were quantified, and the total NHS cost of patient management was estimated at 2013/2014 prices. The NHS managed an estimated 2·2 million patients with a wound during 2012/2013. Patients were predominantly managed in the community by general practitioners (GPs) and nurses. The annual NHS cost varied between £1·94 billion for managing 731 000 leg ulcers and £89·6 million for managing 87 000 burns, and associated comorbidities. Sixty-one percent of all wounds were shown to heal in an average year. Resource use associated with managing the unhealed wounds was substantially greater than that of managing the healed wounds (e.g. 20% more practice nurse visits, 104% more community nurse visits). Consequently, the annual cost of managing wounds that healed in the study period was estimated to be £2·1 billion compared with £3·2 billion for the 39% of wounds that did not heal within the study year. Within the study period, the cost per healed wound ranged from £698 to £3998 per patient and that of an unhealed wound ranged from £1719 to £5976 per patient. Hence, the patient care cost of an unhealed wound was a mean 135% more than that of a healed wound. Real-world evidence highlights the substantial burden that wounds impose on the NHS in an average year. Clinical and economic benefits to both patients and the NHS could accrue from strategies that focus on (a) wound prevention, (b) accurate diagnosis and (c) improving wound-healing rates. © 2016 Medicalhelplines.com Inc and John

  13. Variability of soil physical indicators imposed by beech and hornbeam individual trees in a local scale

    Directory of Open Access Journals (Sweden)

    YAHYA KOOCH

    2013-04-01

    Full Text Available Kooch Y, SM Hosseini, Hojjati SM, Fallah A. 2013. Variability of soil physical indicators imposed by beech and hornbeam individual trees in a local scale. Biodiversitas 14: 25-30. The objective of our study was to determine if soil physical indicators could be related to the influence of the individual trees in stands of mixed species growing on steep slopes in the Hyrcanian forests of Iran. Research was conducted in a forest dominated by beech (Fagus orientalis Lipsky and hornbeam (Carpinus betulus L. interspread with the other deciduous tree species. Due to, twenty hectare areas of Experimental Forest Station of Tarbiat Modares University was considered in northern Iran. The positions of trees with diameter at breast height more than 45cm were recorded by Geographical Position System (GPS. Three single-trees (trees with canopy cover separated from other trees and covered distinguished space considered for soil sampling from every tree species and diameter class as three replications. All of soil samples were excavated in north aspect and at the nearest point to tree collar for more precision. Soil samples were taken at 0-15, 15-30 and 30-45cm depths using auger soil sampler with 81cm2 cross section. The result of this research showed that bulk density was significantly greater under beech than under hornbeam. This character tends to be less in 0-15cm depth than in 15-30cm and 30-45cm depths. Variable amounts of this character were found among diameter classes of beech and hornbeam also. Silt and clay were significantly greater under hornbeam than under beech. Moisture was significantly higher under beech than under hornbeam, whereas soil depths and diameter classes did not show any significant difference. Current research has shown that the influence of individual trees with different diameter classes can be detected in forest floors and upper minerals soil layers even under mixed stands in steepy sloping landscapes. This subject should be

  14. Purification, identification and preliminary crystallographic studies of Pru du amandin, an allergenic protein from Prunus dulcis

    Energy Technology Data Exchange (ETDEWEB)

    Gaur, Vineet; Sethi, Dhruv K.; Salunke, Dinakar M., E-mail: dinakar@nii.res.in [National Institute of Immunology, Aruna Asaf Ali Marg, New Delhi 110 067 (India)

    2008-01-01

    The purification, identification, crystallization and preliminary crystallographic studies of an allergy-related protein, Pru du amandin, from P. dulcis nuts are reported. Food allergies appear to be one of the foremost causes of hypersensitivity reactions. Nut allergies account for most food allergies and are often permanent. The 360 kDa hexameric protein Pru du amandin, a known allergen, was purified from almonds (Prunus dulcis) by ammonium sulfate fractionation and ion-exchange chromatography. The protein was identified by a BLAST homology search against the nonredundant sequence database. Pru du amandin belongs to the 11S legumin family of seed storage proteins characterized by the presence of a cupin motif. Crystals were obtained by the hanging-drop vapour-diffusion method. The crystals belong to space group P4{sub 1} (or P4{sub 3}), with unit-cell parameters a = b = 150.7, c = 164.9 Å.

  15. Paramagnetic and crystallographic effects of low temperature ashing on human bone and tooth enamel.

    Science.gov (United States)

    Tochon-Danguy, H J; Very, J M; Geoffroy, M; Baud, C A

    1978-02-28

    Low temperature ashing by excited gas (LTA) causes crystallographic and paramagnetic alterations of the human bone and tooth enamel mineral. On the one hand, LTA induces variations of the alpha lattice parameter. These variations depend upon the nature of the gas used, but are little affected by its degree of excitation. Trapping of gas molecules in the crystal structure is demonstrated. On the other hand, LTA produces two preponderant paramagnetic centers in bone and enamel samples at 20 degrees C. Their inorganic origin clearly indicated. One of the two radicals has been identified as O3- (g1 = 2.002, g2 = 2.010, g3 = 2.016) and the other as (CO3-3 (parallel = 1.996, g = perpendicular 2.003). Variations of the alpha lattice parameter and trapping of paramagnetic gas species do not seem to be directly related.

  16. Radiation of high-energy electrons near crystallographic axes and planes of a diamond crystal

    Energy Technology Data Exchange (ETDEWEB)

    Avakyan, R.O.; Avakyan, E.O.; Avetisyan, A.E.

    1986-05-01

    The paper is devoted to the experimental study of high-energy electrons interaction with diamond crystals of different thicknesses at small incident angles with respect to crystallographic axes and planes. The effect of the so-called channeling phenomenon on the process of electron radiation in a crystal is studied. Results of the measurements of 4.5. GeV electrons radiation spectra at incident angles approximately O are given. For comparison, we have also presented the spectrum of the radiation on an amorphous target /sup 12/C of similar thickness. Results indicate that the low-energy part of spectra greatly surpass the amorphous spectrum with a pronounced peak structure, with peak widths being noticeably wider in the case of axial channeling than in the planar case. Spectra are measured by a No.I(Tl) total absorption detector. The experiment is performed on the Yerevan electron synchrotron beam with small angular divergence.

  17. Platinum Group Thiophenoxyimine Complexes: Syntheses,Crystallographic and Computational Studies of Structural Properties

    Energy Technology Data Exchange (ETDEWEB)

    Krinsky, Jamin L.; Arnold, John; Bergman, Robert G.

    2006-10-03

    Monomeric thiosalicylaldiminate complexes of rhodium(I) and iridium(I) were prepared by ligand transfer from the homoleptic zinc(II) species. In the presence of strongly donating ligands, the iridium complexes undergo insertion of the metal into the imine carbon-hydrogen bond. Thiophenoxyketimines were prepared by non-templated reaction of o-mercaptoacetophenone with anilines, and were complexed with rhodium(I), iridium(I), nickel(II) and platinum(II). X-ray crystallographic studies showed that while the thiosalicylaldiminate complexes display planar ligand conformations, those of the thiophenoxyketiminates are strongly distorted. Results of a computational study were consistent with a steric-strain interpretation of the difference in preferred ligand geometries.

  18. Processing and crystallographic structure of non-equilibrium Si-doped HfO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Dong; Fancher, Chris M.; Esteves, Giovanni; Jones, Jacob L., E-mail: jacobjones@ncsu.edu [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Zhao, Lili [School of Information Science and Technology, Northwest University, Xi' an 710127 (China)

    2015-06-28

    Si-doped HfO{sub 2} was confirmed to exist as a non-equilibrium state. The crystallographic structures of Si-doped HfO{sub 2} were studied using high-resolution synchrotron X-ray diffraction and the Rietveld refinement method. Incorporation of Si into HfO{sub 2} and diffusion of Si out of (Hf,Si)O{sub 2} were determined as a function of calcination temperature. Higher thermal energy input at elevated calcination temperatures resulted in the formation of HfSiO{sub 4}, which is the expected major secondary phase in Si-doped HfO{sub 2}. The effect of SiO{sub 2} particle size (nano- and micron-sized) on the formation of Si-doped HfO{sub 2} was also determined. Nano-crystalline SiO{sub 2} was found to incorporate into HfO{sub 2} more readily.

  19. Quantification of thin film crystallographic orientation using X-ray diffraction with an area detector.

    Science.gov (United States)

    Baker, Jessy L; Jimison, Leslie H; Mannsfeld, Stefan; Volkman, Steven; Yin, Shong; Subramanian, Vivek; Salleo, Alberto; Alivisatos, A Paul; Toney, Michael F

    2010-06-01

    As thin films become increasingly popular (for solar cells, LEDs, microelectronics, batteries), quantitative morphological and crystallographic information is needed to predict and optimize the film's electrical, optical, and mechanical properties. This quantification can be obtained quickly and easily with X-ray diffraction using an area detector in two sample geometries. In this paper, we describe a methodology for constructing complete pole figures for thin films with fiber texture (isotropic in-plane orientation). We demonstrate this technique on semicrystalline polymer films, self-assembled nanoparticle semiconductor films, and randomly packed metallic nanoparticle films. This method can be immediately implemented to help understand the relationship between film processing and microstructure, enabling the development of better and less expensive electronic and optoelectronic devices.

  20. Maximum a posteriori estimation of crystallographic phases in X-ray diffraction tomography

    Energy Technology Data Exchange (ETDEWEB)

    Gürsoy, Doǧa; Bicer, Tekin; Almer, Jonathan D.; Kettimuthu, Rajkumar; Stock, Stuart; De Carlo, Francesco

    2015-06-13

    A maximum a posteriori approach is proposed for X-ray diffraction tomography for reconstructing three-dimensional spatial distribution of crystallographic phases and orientations of polycrystalline materials. The approach maximizes the a posteriori density which includes a Poisson log-likelihood and an a priori term that reinforces expected solution properties such as smoothness or local continuity. The reconstruction method is validated with experimental data acquired from a section of the spinous process of a porcine vertebra collected at the 1-ID-C beamline of the Advanced Photon Source, at Argonne National Laboratory. The reconstruction results show significant improvement in the reduction of aliasing and streaking artefacts, and improved robustness to noise and undersampling compared to conventional analytical inversion approaches. The approach has the potential to reduce data acquisition times, and significantly improve beamtime efficiency.

  1. Ge/SrTiO{sub 3}(001): Correlation between interface chemistry and crystallographic orientation

    Energy Technology Data Exchange (ETDEWEB)

    Gobaut, B.; Penuelas, J.; Grenet, G.; Ferrah, D.; Benamrouche, A.; Chettaoui, A.; Robach, Y.; Botella, C.; Saint-Girons, G. [Universite de Lyon, Institut des Nanotechnologies de Lyon, Ecole Centrale de Lyon, 36 avenue Guy de Collongue, 69134 Ecully (France); El Kazzi, M.; Silly, M. G.; Sirotti, F. [Synchrotron SOLEIL (TEMPO beamline), l' Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette (France)

    2012-11-01

    In this work, the desorption of a submonolayer deposit of Ge on SrTiO{sub 3}(001) is studied by reflection high energy electron diffraction. The results are compared to those of a previous experiment done using soft x-ray photoelectron spectroscopy. Combining these techniques allows for correlating interface chemistry and crystal orientation, and for bringing clarifying elements concerning the competition between (111) and (001) crystal orientation typical for the semiconductor/perovskite epitaxial systems. Despite poor interface matching, (111)-oriented islands are stabilized at the expense of (001)-oriented islands due to the relatively low energy of their free facets. Such 'surface energy driven' crystallographic orientation of the deposit is enhanced by the low adhesion energy characteristic of the Ge/SrTiO{sub 3} system.

  2. Dianthraceno[a,e]pentalenes: Synthesis, crystallographic structures and applications in organic field-effect transistors

    KAUST Repository

    Dai, Gaole

    2015-01-01

    Two soluble and stable dianthraceno[a,e]pentalenes with two (DAP1) and six (DAP2) phenyl substituents were synthesized. Both compounds possess a small energy band gap and show amphoteric redox behaviour due to intramolecular donor-accepter interactions. X-ray crystallographic analysis revealed that DAP2 has a closely packed structure with multi-dimensional [C-H⋯π] interactions although there are no π-π interactions between the dianthraceno[a,e]pentalene cores. As a result, solution-processed field effect transistors based on DAP2 exhibited an average hole mobility of 0.65 cm2 V-1 s-1. Under similar conditions, DAP1 showed an average field effect hole mobility of 0.001 cm2 V-1 s-1. This journal is

  3. Preliminary crystallographic data for the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from brewers' yeast.

    Science.gov (United States)

    Dyda, F; Furey, W; Swaminathan, S; Sax, M; Farrenkopf, B; Jordan, F

    1990-10-15

    Single crystals of the thiamin diphosphate (the vitamin B1 coenzyme)-dependent enzyme pyruvate decarboxylase (EC 4.1.1.1) from brewers' yeast have been grown using polyethylene glycol as a precipitating agent. Crystals of the homotetrameric version alpha 4 of the holoenzyme are triclinic, space group P1, with cell constants a = 81.0, b = 82.4, c = 116.6 A, alpha = 69.5 beta = 72.6, gamma = 62.4 degrees. The crystals are reasonably stable in a rotating anode x-ray beam and diffract to at least 2.5 A resolution. The Vm value of 2.55 A/dalton is consistent with a unit cell containing four subunits with mass of approximately 60 kDa each. Rotation function results with native data indicate strong non-crystallographic 222 symmetry relating the four identical subunits, thus density averaging methods are likely to play a role in the structure determination.

  4. Crystallographic analysis of CVD films using x-ray polychromatic radiation

    Energy Technology Data Exchange (ETDEWEB)

    Lavelle, B. [CNRS, Toulouse (France). Centre d`Elaboration de Materiaux et d`Etudes Structurales; Brissonneau, L.; Baggot, E.; Vahlas, C. [INPT-CNRS, Toulouse (France). Lab. Materiaux et Interfaces

    1998-12-31

    The Energy Dispersive X-ray Diffractometry (EDXD) technique was tested for in-situ crystallographic characterization of nickel films processed by chemical vapor deposition (CVD). The diffracted beam at low Bragg angle was analyzed in energy by a solid state detector. A nickel reference sample was used to face the problems of EDXD background signal and uncertainty of sample location. The relative accuracy on lattice parameters measurements is 1.5.10{sup {minus}3}, to be compared to 0.5.10{sup {minus}3} for classical (monochromatic) X-ray diffraction. Texture measurements yields results in agreement with those obtained form recent texture goniometer. Finally, an estimation of the thickness was obtained from the intensity of nickel fluorescence peak. In view of the obtained results, EDXD appears to be a promising technique for in-situ studies. Although less powerful compared to the synchrotron facility, it is more flexible and can be applied at lower cost.

  5. Crystallographic and magnetic structures of Pr6Fe13Ge studied by powder neutron diffraction

    Institute of Scientific and Technical Information of China (English)

    Wang Fang-Wei; Zhang Pan-Lin; Shen Bao-Gen; Yan Qi-Wei

    2004-01-01

    Crystallographic and magnetic structures of Pr6Fel3Ge have been investigated by high-resolution powder neutron diffraction in the temperature range of 10-300 K. The magnetic structure consists of ferromagnetic Pr6Fe13 slabs that alternate antiferromagnetically, along c, with the next Pr6Fe13 slab separated by a non-magnetic Ge layer. The magnetic moments lie within the ab-planes. The propagation vector of this structure is k=(001) with respect to the conventional reciprocal lattice of the Ⅰ-centred structure. However, the temperature-dependence of neutron-scattering intensity of the (110) Bragg peak, very similar to the temperature-dependent magnetization measured by SQUID magnetometer,indicates that a small c-axis ferromagnetic component should be added to the above antiferromagnetic model.

  6. Lytic polysaccharide monooxygenases: a crystallographer's view on a new class of biomass-degrading enzymes

    Directory of Open Access Journals (Sweden)

    Kristian E. H. Frandsen

    2016-11-01

    Full Text Available Lytic polysaccharide monooxygenases (LPMOs are a new class of microbial copper enzymes involved in the degradation of recalcitrant polysaccharides. They have only been discovered and characterized in the last 5–10 years and have stimulated strong interest both in biotechnology and in bioinorganic chemistry. In biotechnology, the hope is that these enzymes will finally help to make enzymatic biomass conversion, especially of lignocellulosic plant waste, economically attractive. Here, the role of LPMOs is likely to be in attacking bonds that are not accessible to other enzymes. LPMOs have attracted enormous interest since their discovery. The emphasis in this review is on the past and present contribution of crystallographic studies as a guide to functional understanding, with a final look towards the future.

  7. Preparation, crystallization and preliminary crystallographic analysis of old yellow enzyme from Trypanosoma cruzi

    Energy Technology Data Exchange (ETDEWEB)

    Sugiyama, Shigeru [Maruwa Foods Co. Ltd, Tsutsui-cho 170-1, Yamatokoriyama, Nara 639-1123 (Japan); Tokuoka, Keiji [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871 (Japan); Uchiyama, Nahoko [Department of Molecular Behavioral Biology, Osaka Bioscience Institute, Osaka 565-0874 (Japan); Okamoto, Naoki; Okano, Yousuke; Matsumura, Hiroyoshi [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871 (Japan); Inaka, Koji [Maruwa Foods Co. Ltd, Tsutsui-cho 170-1, Yamatokoriyama, Nara 639-1123 (Japan); Urade, Yoshihiro [Department of Molecular Behavioral Biology, Osaka Bioscience Institute, Osaka 565-0874 (Japan); Inoue, Tsuyoshi, E-mail: inouet@chem.eng.osaka-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamada-Oka, Suita, Osaka 565-0871 (Japan); Maruwa Foods Co. Ltd, Tsutsui-cho 170-1, Yamatokoriyama, Nara 639-1123 (Japan)

    2007-10-01

    Old yellow enzyme from Trypanosoma cruzi, has been crystallized using the hanging-drop vapour-diffusion method. Old yellow enzyme (OYE) is an NADPH oxidoreductase that contains a flavin mononucleotide as a prosthetic group. The OYE from Trypanosoma cruzi, which produces prostaglandin F{sub 2α}, a potent mediator of various physiological and pathological processes, from prostaglandin H2. The protein was recombinantly expressed and purified from Escherichia coli and was crystallized using the hanging-drop vapour-diffusion method. The crystal belongs to the monoclinic space group P2{sub 1}, with unit-cell parameters a = 56.3, b = 78.8, c = 78.8 Å, β = 93.4° and two molecules per asymmetric unit. The crystals were suitable for X-ray crystallographic studies and diffracted to 1.70 Å resolution. A Patterson search method is in progress using the structure of OYE from Pseudomonas putida as a starting model.

  8. Transfer of olivine crystallographic orientation through a cycle of serpentinisation and dehydration

    Science.gov (United States)

    Dunkel, Kristina G.; Austrheim, Håkon; Ildefonse, Benoit; Jamtveit, Bjørn

    2017-08-01

    Our ability to decipher the mechanisms behind metamorphic transformation processes depends in a major way on the extent to which crystallographic and microstructural information is transferred from one stage to another. Within the Leka Ophiolite Complex in the Central Norwegian Caledonides, prograde olivine veins that formed by dehydration of serpentinite veins in dunites exhibit a characteristic distribution of microstructures: The outer part of the veins comprises coarse-grained olivine that forms an unusual, brick-like microstructure. The inner part of the veins, surrounding a central fault, is composed of fine-grained olivine. Where the fault movement included a dilational component, optically clear, equant olivine occurs in the centre. Electron backscatter diffraction mapping reveals that the vein olivine has inherited its crystallographic preferred orientation (CPO) from the olivine in the porphyroclastic host rock; however, misorientation is weaker and associated to different rotation axes. We propose that prograde olivine grew epitaxially on relics of mantle olivine and thereby acquired its CPO. Growth towards pre-existing microfractures along which serpentinisation had occurred led to straight grain boundaries and a brick-like microstructure in the veins. When dehydration embrittlement induced slip, a strong strain localisation on discrete fault planes prevented distortion of the CPO due to cataclastic deformation; grain size reduction did not significantly modify the olivine CPO. This illustrates how a CPO can be preserved though an entire metamorphic cycle, including hydration, dehydration, and deformation processes, and that the CPO and the microstructures (e.g. grain shape) of one phase do not necessarily record the same event.

  9. Crystallization and preliminary crystallographic analysis of l-asparaginase from Erwinia carotovora

    Energy Technology Data Exchange (ETDEWEB)

    Wikman, Linnea E. K. [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland); Krasotkina, Julya; Kuchumova, Anastasia; Sokolov, Nikolay N. [Institute for Biomedical Chemistry, Russian Academy of Medical Sciences, 559-B, 10 Pogodinskay St, Moscow 119121 (Russian Federation); Papageorgiou, Anastassios C., E-mail: tassos.papageorgiou@btk.fi [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland)

    2005-04-01

    Er. carotovoral-asparaginase, a potential antileukaemic agent, has been crystallized. Crystals diffract to 2.6 Å using a rotating-anode source and belong to space group P2{sub 1}, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. Bacterial l-asparaginases have been used as therapeutic agents in the treatment of acute childhood lymphoblastic leukaemia for over 30 y. However, their use is limited owing to the glutaminase activity of the administered enzymes, which results in serious side effects. In contrast, l-asparaginase from Erwinia carotovora exhibits low glutaminase activity at physiological concentrations of l-asparagine and l-glutamine in the blood. Recombinant Er. carotovoral-asparaginase was crystallized in the presence of l-glutamate by the hanging-drop vapour-diffusion method using 10 mg ml{sup −1} purified enzyme, 16–18%(w/v) PEG 3350 and 0.2 M NaF. X-ray diffraction data were collected to 2.6 Å at 293 K using an in-house rotating-anode generator. The crystals belong to the monoclinic P2{sub 1} space group, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. A molecular-replacement solution has been found and refinement is currently in progress. The crystal structure may provide leads towards protein-engineering efforts aimed at safer asparaginase administration in leukaemia treatment.

  10. Beyond Sovereignty: The Twofold Subversion of "Bildung"

    Science.gov (United States)

    Reichenbach, Roland

    2003-01-01

    Few concepts in the German tradition of human studies--the so-called "Geisteswissenschaften"--have had the capacity to birth such intense expectations and hopes as the concept of "Bildung". There is general agreement that the concept of "Bildung" includes both an objective and a subjective component. The first refers to "culture" in its broadest…

  11. Providing Virtual Execution Environments: A Twofold Illustration

    CERN Document Server

    Grehant, Xavier

    2008-01-01

    Platform virtualization helps solving major grid computing challenges: share resource with flexible, user-controlled and custom execution environments and in the meanwhile, isolate failures and malicious code. Grid resource management tools will evolve to embrace support for virtual resource. We present two open source projects that transparently supply virtual execution environments. Tycoon has been developed at HP Labs to optimise resource usage in creating an economy where users bid to access virtual machines and compete for CPU cycles. SmartDomains provides a peer-to-peer layer that automates virtual machines deployment using a description language and deployment engine from HP Labs. These projects demonstrate both client-server and peer-to-peer approaches to virtual resource management. The first case makes extensive use of virtual machines features for dynamic resource allocation. The second translates virtual machines capabilities into a sophisticated language where resource management components can b...

  12. The effect of crystallographic texture on stress-induced martensitic transformation in NiTi: A computational analysis.

    Science.gov (United States)

    Weafer, F M; Guo, Y; Bruzzi, M S

    2016-01-01

    NiTi׳s superelasticity is exploited in a number of biomedical devices, in particular self-expanding endovascular stents. These stents are often laser-cut from textured micro-tubing; texture is the distribution of crystallographic grain orientations in a polycrystalline material which has been experimentally shown to have a marked influence on mechanical properties. This study offers a computational examination into the effect of texture on the stress-induced martensite transformation (SIMT) in a micro-dogbone NiTi specimen subject to tensile loading. Finite Element Analysis (FEA) is employed to simulate the transformational behaviour of the specimen on a micro-scale level. To represent a realistic grain structure in the FEA model, grains present in a 200µm×290µm test site located at the centre edge of the specimen were identified using Scanning Electron Microscopy (SEM). Grains are assumed to have homogenous behaviour with properties varying according to their crystallographic orientation to the loading direction. Required material properties were extracted from uniaxial stress-strain curves of single crystals for each crystallographic orientation for input into the in-built UMAT/Nitinol. The orientation of each grain in the test site was identified using Electron Back-Scatter Diffraction (EBSD) techniques. In this way, a quantitative explanation is offered to the effect of crystallographic texture on SIMT. Finally, the evolution of grains in the specimen, during the transformation process, was experimentally investigated by means of an in-situ SEM tensile test.

  13. Crystallographic Behavior of Iron Oxide Minerals in the Deformed Iron Formation of Quadrilátero Ferrífero

    Science.gov (United States)

    Duarte Lisboa, Filipe Augusto; Lagoeiro, Leonardo; Martins Graça, Leonardo; Ávila, Carlos Fernando; Ferreira Barbosa, Paola

    2016-04-01

    The Quadrilátero Ferrífero (QF) which is located in Brazil represents a mineral province of great importance for hosting Banded Iron Formation deposits (BIFs). The Alegria mine which belongs to Vale Company is located in the east part of Quadrilátero Ferrífero and it explores iron ore from a region of great structural complexity. A deformed BIF sample that presents a micro-fold on quartz and hematite bands was analyzed through Electron Backscatter Diffraction technique (EBSD) in order to relate the crystallographic orientations with the microstructures along the micro-fold envelop. For the sample orientation the Z-axis is taken parallel to the fold limb, Y-axis is perpendicular to the fold hinge and X-axis perpendicular to the YZ plane. In the limbs hematite grains are mostly stretched whereas at the hinge grains tend to be somewhat equant. On the other hand, quartz grain shapes are invariable along the fold, with a few exceptions in the hinge where grains are slightly elongated. Grains of hematite present a strong c-axis ({0001}) preferred orientation forming a subtle girdle somewhat parallel to the XY plane of the strain ellipsoid determined macroscopically (XY being the foliation plane), and a strong () crystallographic fabric approximately parallel to the Z-axis. Similarly, the poles to the prismatic planes ({m} or {10bar10}) also have a stronger crystallographic fabric parallel to the Z axis. It seems that there are two crossing planes for the orientation of and {m} with the two maxima at the intersection of the two planes. Typical hematite crystallographic fabrics are somewhat distinct, since {c} axis commonly forms a very strong fiber texture parallel to the pole of the foliation. Most studies regard such crystallographic texture as evidence for high activity of {c} slip. The {c} girdles observed here are common for mica grains under rigid body rotation in constriction strain, which mechanism is commonly observed in the hematite grains of the sample. The

  14. Athletes' perceptions of anti-doping sanctions: the ban from sport versus social, financial and self-imposed sanctions

    DEFF Research Database (Denmark)

    Overbye, Marie Birch; Elbe, Anne-Marie; Knudsen, Mette Lykke

    2015-01-01

    athletes from 40 sports (N = 645; response rate, 43%). Results showed that 78% of athletes regarded the ban as a deterrent. Older male athletes, however, did so to a lesser degree. Seventy-seven per cent, regardless of gender, age, sport type and previous experience of doping testing, viewed social......Today the main doping deterrence strategy is to ban athletes from sport if caught. This study examines whether Danish elite athletes perceive the ban as a deterrent and how they evaluate social, self-imposed and financial sanctions compared with the ban. Questionnaires were emailed to elite...... sanctions as a greater deterrent than the ban. Many also considered self-imposed sanctions (54%) and financial consequences (47%) a greater deterrent. Four per cent considered neither the ban nor the presented alternatives a deterrent. The findings indicate that the ban from sport deters doping...

  15. The restrictions imposed upon the urban development by the piezometric level. Case study: Otopeni-Tunari-Corbeanca

    Directory of Open Access Journals (Sweden)

    Daniel Constantin Diaconu

    2017-03-01

    Full Text Available The objective of the study is to identify the urban development pressure exerted upon the limits imposed by the depth of the phreatic level. The territorial systems from the vicinity of Bucharest registered a momentous dynamics and it enabled the expanding of urbanized areas beyond the limits imposed by the natural conditions. The present research involved the creation of a database concerning the depth of the phreatic level, as well as the identification of the expansion stages undertaken by the urbanized areas. There were applied questionnaires concerning the degree of knowledge regarding the development restrictions for the beneficiaries of built spaces. The spatial layout of the indicators which were used in the research permitted the discovery of some areas where the decision to build something had been taken without analyzing the low depth of piezometric level.

  16. Adaptation of the tourism in Romania to the new economic context imposed by the global economic crisis (in 2010)

    OpenAIRE

    2013-01-01

    The global economic crisis affected the tourist market from Romania since 2008. 2010 was for the Romanian tourism enterprises the year of successful attempts to respond to the economic and social stimuli imposed by the economic crisis. The way in which they managed to cope with the crisis shows that solutions are available to those who adapt to the conditions of fierce competition. The global economic crisis rippled its effects in all areas of activity, tourism included. Some field entreprene...

  17. The Avascular Tumour Growth in the Presence of Inhomogeneous Physical Parameters Imposed from a Finite Spherical Nutritive Environment

    Directory of Open Access Journals (Sweden)

    Foteini Kariotou

    2012-01-01

    Full Text Available A well-known mathematical model of radially symmetric tumour growth is revisited in the present work. Under this aim, a cancerous spherical mass lying in a finite concentric nutritive surrounding is considered. The host spherical shell provides the tumor with vital nutrients, receives the debris of the necrotic cancer cells, and also transmits to the tumour the pressure imposed on its exterior boundary. We focus on studying the type of inhomogeneity that the nutrient supply and the pressure field imposed on the host exterior boundary, can exhibit in order for the spherical structure to be supported. It turns out that, if the imposed fields depart from being homogeneous, only a special type of interrelated inhomogeneity between nutrient and pressure can secure the spherical growth. The work includes an analytic derivation of the related boundary value problems based on physical conservation laws and their analytical treatment. Implementations in cases of special physical interest are examined, and also existing homogeneous results from the literature are fully recovered.

  18. Reversible cell cycle inhibition and premature aging features imposed by conditional expression of p16Ink4a

    Science.gov (United States)

    Boquoi, Amelie; Arora, Sanjeevani; Chen, Tina; Litwin, Sam; Koh, James; Enders, Greg H

    2015-01-01

    The cyclin-dependent kinase (Cdk) inhibitor p16Ink4a (p16) is a canonical mediator of cellular senescence and accumulates in aging tissues, where it constrains proliferation of some progenitor cells. However, whether p16 induction in tissues is sufficient to inhibit cell proliferation, mediate senescence, and/or impose aging features has remained unclear. To address these issues, we generated transgenic mice that permit conditional p16 expression. Broad induction at weaning inhibited proliferation of intestinal transit-amplifying and Lgr5+ stem cells and rapidly imposed features of aging, including hair loss, skin wrinkling, reduced body weight and subcutaneous fat, an increased myeloid fraction in peripheral blood, poor dentition, and cataracts. Aging features were observed with multiple combinations of p16 transgenes and transactivators and were largely abrogated by a germline Cdk4 R24C mutation, confirming that they reflect Cdk inhibition. Senescence markers were not found, and de-induction of p16, even after weeks of sustained expression, allowed rapid recovery of intestinal cell proliferation and reversal of aging features in most mice. These results suggest that p16-mediated inhibition of Cdk activity is sufficient to inhibit cell proliferation and impose aging features in somatic tissues of mammals and that at least some of these aging features are reversible. PMID:25481981

  19. Analysis of Mixed Mode I/II/III Fracture in Foam Core Sandwich Structures Using Imposed Displacement Split Cantilever Beams

    Directory of Open Access Journals (Sweden)

    Rizov V.

    2015-09-01

    Full Text Available Static fracture in foam core sandwich structures under mixed mode I/II/III loading conditions was studied theoretically. In order to generate such loading conditions, a thread guide was used to impose in- plane displacements of the lower crack arm of a sandwich Split Cantilever Beam (SCB. The upper crack arm was loaded by a transverse force. A three-dimensional finite element model of the imposed displacement sandwich SCB configuration was developed. The fracture was studied applying the concepts of linear-elastic fracture mechanics. The strain energy release rate mode components distribution along the crack front was analyzed using the virtual crack closure technique. The influence of the imposed displacement magnitude and the crack length on the fracture was evaluated. The effect of the sandwich core material on the mixed-mode I/II/III fracture was studied. For this purpose, finite element simulations were carried-out assuming that the core is made by different rigid cellular foams. It was found that the strain energy release rate decreases when the foam density increases.

  20. Effect of crystallographic texture and dislocation hardening on limit strain in sheet metal forming

    Science.gov (United States)

    Wen, Xiyu

    2000-10-01

    In the metal industry, sheet metals are widely used to produce packaging materials for consumer goods, for structures such as automobilse, and for building construction and transportation. The desired shape of the products is imparted by plastic deformation in either the cold or hot state. Traditionally, the prediction of the forming limit of sheet metals is based on tensile tests, simulation tests and continuum mathematical models. Continuum models used in the prediction of the plastic behavior of sheet metals are based on average values of mechanical properties such as elongation, yield strength, work hardening and work-hardening rate, which are usually derived from tensile tests. Although attempts have been made to abandon the phenomenological description of the yield function by applying the theory of crystal plasticity to calculate the yield surface of texture polycrystals and hence the limit strains, only the average properties of the microstructure (e.g., the crystallographic texture of the bulk sheet) have been taken into account. So far, there has been no model for the prediction of the strain path and the limit strain of sheet metals that takes into account the effect of individual grain orientation and the dislocation property. In this thesis, different approaches in the study of plastic deformation are reviewed from the view-point of both macroplasticity and microplasticity. Instead of relying on a unique flow rule to describe the stress and strain relationship, the role of work hardening in the instability process of sheet metal and hence the flow localization phenomenon is explored from a study of the changes in the orientation of the constituent crystallites and from the changes in the dislocation density associated with different grain orientations during the course of large biaxial deformation. The changes in the crystallographic textures of an aluminium sheet sample deformed under various stress states from plane-strain tension to equi

  1. Crystal growth and first crystallographic characterization of mixed uranium(IV)-plutonium(III) oxalates.

    Science.gov (United States)

    Tamain, Christelle; Arab Chapelet, Bénédicte; Rivenet, Murielle; Abraham, Francis; Caraballo, Richard; Grandjean, Stéphane

    2013-05-06

    The mixed-actinide uranium(IV)-plutonium(III) oxalate single crystals (NH4)0.5[Pu(III)0.5U(IV)0.5(C2O4)2·H2O]·nH2O (1) and (NH4)2.7Pu(III)0.7U(IV)1.3(C2O4)5·nH2O (2) have been prepared by the diffusion of different ions through membranes separating compartments of a triple cell. UV-vis, Raman, and thermal ionization mass spectrometry analyses demonstrate the presence of both uranium and plutonium metal cations with conservation of the initial oxidation state, U(IV) and Pu(III), and the formation of mixed-valence, mixed-actinide oxalate compounds. The structure of 1 and an average structure of 2 were determined by single-crystal X-ray diffraction and were solved by direct methods and Fourier difference techniques. Compounds 1 and 2 are the first mixed uranium(IV)-plutonium(III) compounds to be structurally characterized by single-crystal X-ray diffraction. The structure of 1, space group P4/n, a = 8.8558(3) Å, b = 7.8963(2) Å, Z = 2, consists of layers formed by four-membered rings of the two actinide metals occupying the same crystallographic site connected through oxalate ions. The actinide atoms are nine-coordinated by oxygen atoms from four bidentate oxalate ligands and one water molecule, which alternates up and down the layer. The single-charged cations and nonbonded water molecules are disordered in the same crystallographic site. For compound 2, an average structure has been determined in space group P6/mmm with a = 11.158(2) Å and c = 6.400(1) Å. The honeycomb-like framework [Pu(III)0.7U(IV)1.3(C2O4)5](2.7-) results from a three-dimensional arrangement of mixed (U0.65Pu0.35)O10 polyhedra connected by five bis-bidentate μ(2)-oxalate ions in a trigonal-bipyramidal configuration.

  2. Role of Ventral Subiculum in Context-Induced Relapse to Alcohol Seeking after Punishment-Imposed Abstinence

    Science.gov (United States)

    Campbell, Erin J.; Whitaker, Leslie R.; Harvey, Brandon K.; Kaganovsky, Konstantin; Adhikary, Sweta; Hope, Bruce T.; Heins, Robert C.; Prisinzano, Thomas E.; Vardy, Eyal; Bonci, Antonello; Bossert, Jennifer M.

    2016-01-01

    In many human alcoholics, abstinence is self-imposed because of the negative consequences of excessive alcohol use, and relapse is often triggered by exposure to environmental contexts associated with prior alcohol drinking. We recently developed a rat model of this human condition in which we train alcohol-preferring P rats to self-administer alcohol in one context (A), punish the alcohol-reinforced responding in a different context (B), and then test for relapse to alcohol seeking in Contexts A and B without alcohol or shock. Here, we studied the role of projections to nucleus accumbens (NAc) shell from ventral subiculum (vSub), basolateral amygdala, paraventricular thalamus, and ventral medial prefrontal cortex in context-induced relapse after punishment-imposed abstinence. First, we measured double-labeling of the neuronal activity marker Fos with the retrograde tracer cholera toxin subunit B (injected in NAc shell) and demonstrated that context-induced relapse is associated with selective activation of the vSub→NAc shell projection. Next, we reversibly inactivated the vSub with GABA receptor agonists (muscimol+baclofen) before the context-induced relapse tests and provided evidence for a causal role of vSub in this relapse. Finally, we used a dual-virus approach to restrict expression of the inhibitory κ opioid-receptor based DREADD (KORD) in vSub→NAc shell projection neurons. We found that systemic injections of the KORD agonist salvinorin B, which selectively inhibits KORD-expressing neurons, decreased context-induced relapse to alcohol seeking. Our results demonstrate a critical role of vSub in context-induced relapse after punishment-imposed abstinence and further suggest a role of the vSub→NAc projection in this relapse. SIGNIFICANCE STATEMENT In many human alcoholics, abstinence is self-imposed because of the negative consequences of excessive use, and relapse is often triggered by exposure to environmental contexts associated with prior alcohol

  3. Crystallographic orientation and electrode nature are key factors for electric current generation by Geobacter sulfurreducens.

    Science.gov (United States)

    Maestro, Beatriz; Ortiz, Juan M; Schrott, Germán; Busalmen, Juan P; Climent, Víctor; Feliu, Juan M

    2014-08-01

    We have investigated the influence of electrode material and crystallographic structure on electron transfer and biofilm formation of Geobacter sulfurreducens. Single-crystal gold-Au(110), Au(111), Au(210)-and platinum-Pt(100), Pt(110), Pt(111), Pt(210)-electrodes were tested and compared to graphite rods. G. sulfurreducens electrochemically interacts with all these materials with different attachment kinetics and final current production, although redox species involved in the electron transfer to the anode are virtually the same in all cases. Initial bacterial colonization was fastest on graphite up to the monolayer level, whereas gold electrodes led to higher final current densities. Crystal geometry was shown to have an important influence, with Au(210) sustaining a current density of up to 1442±101μAcm(-2) at the steady state, over Au(111) with 961±94μAcm(-2) and Au(110) with 944±89μAcm(-2). On the other hand, the platinum electrodes displayed the lowest performances, including Pt(210). Our results indicate that both crystal geometry and electrode material are key parameters for the efficient interaction of bacteria with the substrate and should be considered for the design of novel materials and microbial devices to optimize energy production.

  4. Synthetic, crystallographic, and computational study of copper(II) complexes of ethylenediaminetetracarboxylate ligands.

    Science.gov (United States)

    Matović, Zoran D; Miletić, Vesna D; Ćendić, Marina; Meetsma, Auke; van Koningsbruggen, Petra J; Deeth, Robert J

    2013-02-04

    Copper(II) complexes of hexadentate ethylenediaminetetracarboxylic acid type ligands H(4)eda3p and H(4)eddadp (H(4)eda3p = ethylenediamine-N-acetic-N,N',N'-tri-3-propionic acid; H(4)eddadp = ethylenediamine-N,N'-diacetic-N,N'-di-3-propionic acid) have been prepared. An octahedral trans(O(6)) geometry (two propionate ligands coordinated in axial positions) has been established crystallographically for the Ba[Cu(eda3p)]·8H(2)O compound, while Ba[Cu(eddadp)]·8H(2)O is proposed to adopt a trans(O(5)) geometry (two axial acetates) on the basis of density functional theory calculations and comparisons of IR and UV-vis spectral data. Experimental and computed structural data correlating similar copper(II) chelate complexes have been used to better understand the isomerism and departure from regular octahedral geometry within the series. The in-plane O-Cu-N chelate angles show the smallest deviation from the ideal octahedral value of 90°, and hence the lowest strain, for the eddadp complex with two equatorial β-propionate rings. A linear dependence between tetragonality and the number of five-membered rings has been established. A natural bonding orbital analysis of the series of complexes is also presented.

  5. On elliptic Calogero-Moser systems for complex crystallographic reflection groups

    CERN Document Server

    Etingof, Pavel; Ma, Xiaoguang; Veselov, Alexander

    2010-01-01

    To every irreducible finite crystallographic reflection group (i.e., an irreducible finite reflection group G acting faithfully on an abelian variety X), we attach a family of classical and quantum integrable systems on X (with meromorphic coefficients). These families are parametrized by G-invariant functions of pairs (T,s), where T is a hypertorus in X (of codimension 1), and s in G is a reflection acting trivially on T. If G is a real reflection group, these families reduce to the known generalizations of elliptic Calogero-Moser systems, but in the non-real case they appear to be new. We give two constructions of the integrals of these systems - an explicit construction as limits of classical Calogero-Moser Hamiltonians of elliptic Dunkl operators as the dynamical parameter goes to 0 (implementing an idea of arXiv:hep-th/9403178), and a geometric construction as global sections of sheaves of elliptic Cherednik algebras for the critical value of the twisting parameter. We also prove algebraic integrability ...

  6. Surface energy-mediated construction of anisotropic semiconductor wires with selective crystallographic polarity

    Science.gov (United States)

    Sohn, Jung Inn; Hong, Woong-Ki; Lee, Sunghoon; Lee, Sanghyo; Ku, Jiyeon; Park, Young Jun; Hong, Jinpyo; Hwang, Sungwoo; Park, Kyung Ho; Warner, Jamie H.; Cha, Seungnam; Kim, Jong Min

    2014-07-01

    ZnO is a wide band-gap semiconductor with piezoelectric properties suitable for opto-electronics, sensors, and as an electrode material. Controlling the shape and crystallography of any semiconducting nanomaterial is a key step towards extending their use in applications. Whilst anisotropic ZnO wires have been routinely fabricated, precise control over the specific surface facets and tailoring of polar and non-polar growth directions still requires significant refinement. Manipulating the surface energy of crystal facets is a generic approach for the rational design and growth of one-dimensional (1D) building blocks. Although the surface energy is one basic factor for governing crystal nucleation and growth of anisotropic 1D structures, structural control based on surface energy minimization has not been yet demonstrated. Here, we report an electronic configuration scheme to rationally modulate surface electrostatic energies for crystallographic-selective growth of ZnO wires. The facets and orientations of ZnO wires are transformed between hexagonal and rectangular/diamond cross-sections with polar and non-polar growth directions, exhibiting different optical and piezoelectrical properties. Our novel synthetic route for ZnO wire fabrication provides new opportunities for future opto-electronics, piezoelectronics, and electronics, with new topological properties.

  7. Expression, purification, crystallization and preliminary crystallographic analysis of the proliferation-associated protein Ebp1

    Energy Technology Data Exchange (ETDEWEB)

    Kowalinski, Eva; Bange, Gert; Wild, Klemens; Sinning, Irmgard, E-mail: irmi.sinning@bzh.uni-heidelberg.de [Heidelberg University Biochemistry Center, INF 328, D-69120 Heidelberg (Germany)

    2007-09-01

    Preliminary X-ray analysis of the proliferation-associated protein Ebp1 from Homo sapiens is provided. ErbB-3-binding protein 1 (Ebp1) is a member of the family of proliferation-associated 2G4 proteins (PA2G4s) and plays a role in cellular growth and differentiation. Ligand-induced activation of the transmembrane receptor ErbB3 leads to dissociation of Ebp1 from the receptor in a phosphorylation-dependent manner. The non-associated protein is involved in transcriptional and translational regulation in the cell. Here, the overexpression, purification, crystallization and preliminary crystallographic studies of Ebp1 from Homo sapiens are reported. Initially observed crystals were improved by serial seeding to single crystals suitable for data collection. The optimized crystals belong to the tetragonal space group P4{sub 1}2{sub 1}2 or P4{sub 3}2{sub 1}2 and diffracted to a resolution of 1.6 Å.

  8. Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening.

    Science.gov (United States)

    Du, Hongying; Brender, Jeffrey R; Zhang, Jian; Zhang, Yang

    2015-01-01

    Structure based virtual screening has largely been limited to protein targets for which either an experimental structure is available or a strongly homologous template exists so that a high-resolution model can be constructed. The performance of state of the art protein structure predictions in virtual screening in systems where only weakly homologous templates are available is largely untested. Using the challenging DUD database of structural decoys, we show here that even using templates with only weak sequence homology (identity) structural models can be constructed by I-TASSER which achieve comparable enrichment rates to using the experimental bound crystal structure in the majority of the cases studied. For 65% of the targets, the I-TASSER models, which are constructed essentially in the apo conformations, reached 70% of the virtual screening performance of using the holo-crystal structures. A correlation was observed between the success of I-TASSER in modeling the global fold and local structures in the binding pockets of the proteins versus the relative success in virtual screening. The virtual screening performance can be further improved by the recognition of chemical features of the ligand compounds. These results suggest that the combination of structure-based docking and advanced protein structure modeling methods should be a valuable approach to the large-scale drug screening and discovery studies, especially for the proteins lacking crystallographic structures.

  9. Crystallographic and Computational Analyses of AUUCU Repeating RNA That Causes Spinocerebellar Ataxia Type 10 (SCA10).

    Science.gov (United States)

    Park, HaJeung; González, Àlex L; Yildirim, Ilyas; Tran, Tuan; Lohman, Jeremy R; Fang, Pengfei; Guo, Min; Disney, Matthew D

    2015-06-23

    Spinocerebellar ataxia type 10 (SCA10) is caused by a pentanucleotide repeat expansion of r(AUUCU) within intron 9 of the ATXN10 pre-mRNA. The RNA causes disease by a gain-of-function mechanism in which it inactivates proteins involved in RNA biogenesis. Spectroscopic studies showed that r(AUUCU) repeats form a hairpin structure; however, there were no high-resolution structural models prior to this work. Herein, we report the first crystal structure of model r(AUUCU) repeats refined to 2.8 Å and analysis of the structure via molecular dynamics simulations. The r(AUUCU) tracts adopt an overall A-form geometry in which 3 × 3 nucleotide (5')UCU(3')/(3')UCU(5') internal loops are closed by AU pairs. Helical parameters of the refined structure as well as the corresponding electron density map on the crystallographic model reflect dynamic features of the internal loop. The computational analyses captured dynamic motion of the loop closing pairs, which can form single-stranded conformations with relatively low energies. Overall, the results presented here suggest the possibility for r(AUUCU) repeats to form metastable A-from structures, which can rearrange into single-stranded conformations and attract proteins such as heterogeneous nuclear ribonucleoprotein K (hnRNP K). The information presented here may aid in the rational design of therapeutics targeting this RNA.

  10. Scattering of slow ions by various crystallographic planes of tungsten single crystals

    CERN Document Server

    Ermolov, S N; Kortenraad, R; Must, B; Shtinov, E D; Brongersma, K K

    2002-01-01

    The dependence of low-energy ion scattering signal intensity on single crystal surface orientation is investigated, and it is shown that this dependence is not necessarily in direct proportion to atomic density in the uppermost atomic layer. On the basis of comparison of signals from various crystallographic planes of a high purity W single crystal a conclusion is made that the ions scattered from more deep atomic layers contribute considerably to the signal measured for the surface with an open structure. It is shown that reference specimens with a known surface density are needed for quantitative analysis of surface composition by the method of low-energy ion scattering. The best reference specimens are well-oriented single crystals with close-packed planes at the surface, since in this case the low-energy ion scattering signal is proportional to atomic density of the uppermost atomic layer. It single crystals with open surface structure are used as reference specimens the contribution of deeper atomic laye...

  11. CRYSTALLOGRAPHIC RELATIONS OF CEMENTITE–AUSTENITE–FERRITE IN THE DIFFUSIVE DECOMPOSITION OF AUSTENITE

    Directory of Open Access Journals (Sweden)

    BOLSHAKOV V. I.

    2016-05-01

    Full Text Available Summary. It was made a search for new and more accurate orientation relations between the crystal lattice in the pearlite and bainite austenite decomposition products. Methods. It were used the methods: transmission electron microscopy, the micro-, mathematical matrix and stereographic analysis. The purpose of the research is with theoretical, numerical and experimental methods to set up to a 0.2 degree angular orientation relations between the lattices of ferrite and cementite in the austenite decomposition products in the temperature range 400 ... 700С. Results. It was established a new, refined value for grids in the diffusion decay of γ → α + (α + θ. Practical significance. It was proposed a new oriented dependence and the corresponding double gnomonic projection with poles to planes α and θ phases, which can be used in patterns of crystallographic lattices relations studies at phase transitions, as well as the subsequent modeling of complex physical processes of structure formation in metals and binary systems.

  12. Changes of structure and crystallographic texture of cladding tubes from austenitic steel under thermal creep testing

    Science.gov (United States)

    Perlovich, Yu; Isaenkova, M.; Fesenko, V.; Dobrokhotov, P.; Tselishchev, A.

    2016-04-01

    The process of changes in structure and crystallographic texture of cladding tubes from austenitic steel ChS68 under thermal creep testing were studied. Testing of tubes was conducted at the temperature 700 oC in the air by their stretching in axial direction under the stress 160 MPa until rupture. By data of phase and texture analysis a number of processes, accompanying plastic deformation of tubes during thermal creep tests at elevated temperature, were identified. The main texture components of original tube, as well as texture components of different parts of the tested tube are {110} and {112}. In the rupture zone the component of the texture of tension with axis along the tube axis becomes stronger. This effect is connected with activation of dislocation slip in the deformed area of tested tube near the new-formed neck. At the same time the character of texture changes in the zone of tube rupture indicates to development of the dynamic recrystallization, conditioned by the total influence of all factors, which control the passage in the tube of thermal creep. In addition, it was revealed the activation of martensitic transformations in the zone of maximal deformation of tube as a result of its creep tests.

  13. Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

    Science.gov (United States)

    Fenn, Timothy D; Schnieders, Michael J; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S; Brunger, Axel T

    2011-04-13

    Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints, and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here, we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen-bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms.

  14. Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination.

    Science.gov (United States)

    Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

    2013-11-01

    The number of macromolecular structures deposited in the Protein Data Bank now approaches 100,000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardware and software tools have made crystallography appear to be an almost routine (but still far from being analytical) technique and many structures are now being determined by scientists with very limited experience in the practical aspects of the field. However, this apparent ease is sometimes illusory and proper procedures need to be followed to maintain high standards of structure quality. In addition, many noncrystallographers may have problems with the critical evaluation and interpretation of structural results published in the scientific literature. The present review provides an outline of the technical aspects of crystallography for less experienced practitioners, as well as information that might be useful for users of macromolecular structures, aiming to show them how to interpret (but not overinterpret) the information present in the coordinate files and in their description. A discussion of the extent of information that can be gleaned from the atomic coordinates of structures solved at different resolution is provided, as well as problems and pitfalls encountered in structure determination and interpretation.

  15. A new systematic framework for crystallographic analysis of atom probe data

    Energy Technology Data Exchange (ETDEWEB)

    Araullo-Peters, Vicente J., E-mail: vicente.araullopeters@gmail.com [Australian Centre for Microscopy and Microanalysis, University of Sydney (Australia); School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney (Australia); Breen, Andrew; Ceguerra, Anna V. [Australian Centre for Microscopy and Microanalysis, University of Sydney (Australia); School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney (Australia); Gault, Baptiste [Department of Materials, University of Oxford, Parks Road, Oxford (United Kingdom); Ringer, Simon P.; Cairney, Julie M. [Australian Centre for Microscopy and Microanalysis, University of Sydney (Australia); School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney (Australia)

    2015-07-15

    In this article, after a brief introduction to the principles behind atom probe crystallography, we introduce methods for unambiguously determining the presence of crystal planes within atom probe datasets, as well as their characteristics: location; orientation and interplanar spacing. These methods, which we refer to as plane orientation extraction (POE) and local crystallography mapping (LCM) make use of real-space data and allow for systematic analyses. We present here application of POE and LCM to datasets of pure Al, industrial aluminium alloys and doped-silicon. Data was collected both in DC voltage mode and laser-assisted mode (in the latter of which extracting crystallographic information is known to be more difficult due to distortions). The nature of the atomic planes in both datasets was extracted and analysed. - Highlights: • A new analysis method was designed that determines if reconstructed planes are present in atom probe data. • The location, orientation, and planar spacing of these planes are obtained. • This method was applied to simulated, aluminium alloy and silicon data where the extent of planes was shown to vary considerably. • This method can be used to examine atom probe reconstruction quality.

  16. Microstructures and crystallographic preferred orientation of anorthosites from Oman ophiolite and the dynamics of melt lenses

    Science.gov (United States)

    Morales, Luiz F. G.; Boudier, FrançOise; Nicolas, Adolphe

    2011-04-01

    Microstructures and crystallographic preferred orientation (CPO) of anorthosite samples interlayered in the upper and lower gabbro sections in the Oman ophiolite were analyzed in this paper. In the anorthosites registering the dynamics of the melt lenses, foliation is flat lying and starts to develop a few meters below the root zone of the sheeted dike complex (RZSDC). Microstructures and CPO of these rocks were developed in response to four different mechanisms: (1) density-controlled settling of plagioclase on the lens floor, (2) deposition of anorthosites related to convection currents, (3) melt compaction, and (4) uncompacted melt accumulation. In these anorthosites, the poles to (010) of plagioclase are parallel to the flow plane of convection, whereas the [100] axes and poles to (001) express the convection flow direction and the axis of convection rolls, respectively. The effect of subsidence of melt lens floor is recorded immediately below the RZSDC and is characterized by the rapid (but progressive) development of dipping foliation and lineation, reflecting the increase of deformation downsection. The degree of foliation and CPO development in the anorthosites is directly related to the distance of the center of the melt lenses before the subsidence starts. Despite the uncertain origin of the anorthosites from the lower gabbro section, all the samples lost the magmatic microstructural characteristics and presently are reequilibrated aggregates. However, they still preserve plagioclase CPO, where some of these patterns present similarities with the anorthosites from the upper gabbro section, but no evidence of intracrystalline deformation under high temperatures.

  17. Purification and crystallographic analysis of a FAD-dependent halogenase from Streptomyces sp. JCM9888.

    Science.gov (United States)

    Zhao, Yanqun; Yan, Baohua; Yang, Ting; Jiang, Jian; Wei, Heng; Zhu, Xiaofeng

    2015-08-01

    A new FAD (flavin adenine dinucleotide)-dependent halogenase HalY from Streptomyces sp. JCM9888 was reported to be involved in the regioselective halogenation of adenine. HalY is a variant B FAD-dependent halogenase that is most similar to the halogenase PltA involved in pyoluteorin biosynthesis. This study reports the overexpression and purification of HalY with an N-terminal hexahistidine tag, followed by crystallization experiments and X-ray crystallographic analysis. HalY was purified as a monomer in solution and crystallized to give X-ray diffraction to a resolution of 1.7 Å. The crystal belonged to the monoclinic space group P21, with unit-cell parameters a = 41.4, b = 113.4, c = 47.6 Å, α = γ = 90, β = 107.4°, and contained one monomer of HalY in the asymmetric unit, with a calculated Matthews coefficient of 2.3 Å(3) Da(-1) and a solvent content of 46%. The structure of the halogenase CndH was used as a search model in molecular replacement to obtain the initial model of HalY. Manual model building and structure refinement of HalY are in progress.

  18. Properties and crystallization phenomena in Li2Si2O5-Ca5(PO43F and Li2Si2O5-Sr5(PO43F glass-ceramics via twofold internal crystallization

    Directory of Open Access Journals (Sweden)

    Markus eRampf

    2015-09-01

    Full Text Available The combination of specific mechanical, esthetic and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass-ceramic materials. The present study outlines the potential of precipitating Ca5(PO43F as well as Sr5(PO43F as minor crystal phases in Li2Si2O5 glass-ceramics. Base glasses with different contents of CaO/SrO, P2O5 and F- were prepared within the glasses of the SiO2-Li2O-K2O-CaO/SrO-Al2O3-P2O5 system. Preliminary studies of nucleation by means of XRD and SEM of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass ceramics was established. The microstructures of the glass-ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass-ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO43F and Sr5(PO43F influence the translucency of the glass-ceramics and hence, help to precisely tailor the properties of Li2Si2O5 glass-ceramics. The authors conclude that the twofold crystallization of Li2Si2O5-Ca5(PO43F or Li2Si2O5-Sr5(PO43F glass-ceramics involves independent solid state reactions which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass-ceramics and hence, displays new potential for dental applications.

  19. Properties and Crystallization Phenomena in Li2Si2O5-Ca5(PO4)3F and Li2Si2O5-Sr5(PO4)3F Glass-Ceramics Via Twofold Internal Crystallization.

    Science.gov (United States)

    Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

    2015-01-01

    The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass-ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass-ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F(-) were prepared within the glasses of the SiO2-Li2O-K2O-CaO/SrO-Al2O3-P2O5-F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass-ceramics was established. The microstructures of the glass-ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass-ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass-ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass-ceramics. The authors conclude that the twofold crystallization of Li2Si2O5-Ca5(PO4)3F or Li2Si2O5-Sr5(PO4)3F glass-ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass-ceramics and, hence, displays new potential for dental applications.

  20. Crystallographic analysis of TPP riboswitch binding by small-molecule ligands discovered through fragment-based drug discovery approaches.

    Science.gov (United States)

    Warner, Katherine Deigan; Ferré-D'Amaré, Adrian R

    2014-01-01

    Riboswitches are structured mRNA elements that regulate gene expression in response to metabolite or second-messenger binding and are promising targets for drug discovery. Fragment-based drug discovery methods have identified weakly binding small molecule "fragments" that bind a thiamine pyrophosphate (TPP) riboswitch. However, these fragments require substantial chemical elaboration into more potent, drug-like molecules. Structure determination of the fragments bound to the riboswitch is the necessary next step. In this chapter, we describe the methods for co-crystallization and structure determination of fragment-bound TPP riboswitch structures. We focus on considerations for screening crystallization conditions across multiple crystal forms and provide guidance for building the fragment into the refined crystallographic model. These methods are broadly applicable for crystallographic analyses of any small molecules that bind structured RNAs.

  1. Glassy Carbon Electrode-Supported Au Nanoparticles for the Glucose Electrooxidation: On the Role of Crystallographic Orientation

    Directory of Open Access Journals (Sweden)

    M. Guerra-Balcázar

    2012-01-01

    Full Text Available Glucose electrooxidation in alkaline solution was examined using glassy carbon electrodes modified with Au nanoparticles. Au nanoparticles were prepared following the two-phase protocol and characterized by transmission electron microscopy (TEM, UV-Vis spectroscopy, X-ray diffraction spectroscopy (XRD, and cyclic voltammetry (CV. It was found that, under the study conditions, it is possible to obtain nanoparticles between 1 and 5 nm; also it was found that the crystallographic orientation is strongly influenced by the ratio metal/thiol and to a lesser extent by the synthesis temperature. The voltammetric response for the electrocatalytic oxidation of glucose at carbon Au nanoparticle-modified electrode shows an increasing activity with nanoparticles size. Electroactivity and possibly selectivity are found to be nanoparticles' crystallographic orientation dependent. Classical electrochemical analysis shows that glucose electrooxidation is a diffusion-controlled process followed by a homogenous reaction.

  2. Crystallographic Features and State Stability of the Decagonal Quasicrystal in the Al-Co-Cu Alloy System

    Science.gov (United States)

    Nakayama, Kei; Mizutani, Akito; Koyama, Yasumasa

    2016-11-01

    In the Al-Co-Cu alloy system, both the decagonal quasicrystal with the space group of Poverline{10}m2 and its approximant Al13Co4 phase with monoclinic Cm symmetry are present around 20 at. % Co-10 at. % Cu. In this study, we examined the crystallographic features of prepared Al-(30 - x) at. % Co-x at. % Cu samples mainly by transmission electron microscopy in order to make clear the crystallographic relation between the decagonal quasicrystal and the monoclinic Al13Co4 structure. The results revealed a coexistence state consisting of decagonal quasicrystal and approximant Al13Co4 regions in Al-20 at. % Co-10 at. % Cu alloy samples. With the help of the coexistence state, the orientation relationship was established between the monoclinic Al13Co4 structure and the decagonal quasicrystal. In the determined relationship, the crystallographic axis in the quasicrystal was found to be parallel to the normal direction of the (010)m plane in the Al13Co4 structure, where the subscript m denotes the monoclinic system. Based on data obtained experimentally, the state stability of the decagonal quasicrystal was also examined in terms of the Hume-Rothery (HR) mechanism on the basis of the nearly-free-electron approximation. It was found that a model based on the HR mechanism could explain the crystallographic features such as electron diffraction patterns and atomic arrangements found in the decagonal quasicrystal. In other words, the HR mechanism is most likely appropriate for the stability of the decagonal quasicrystal in the Al-Co-Cu alloy system.

  3. The fcc-bcc crystallographic orientation relationship in AlxCoCrFeNi high-entropy alloys

    NARCIS (Netherlands)

    Rao, J. C.; Ocelik, V.; Vainchtein, D.; Tang, Z.; Liaw, P. K.; De Hosson, J. Th. M.

    2016-01-01

    This paper concentrates on the crystallographic-orientation relationship between the various phases in the Al-Co-Cr-Fe-Ni high-entropy alloys. Two types of orientation relationships of bcc phases (some with ordered B2 structures) and fcc matrix were observed in Al0.5CoCrFeNi and Al0.7CoCrFeNi alloys

  4. Self-Assembled Monolayers: Star-Shaped Crystallographic Cracking of Localized Nanoporous Defects (Adv. Mater. 33/2015).

    Science.gov (United States)

    Renner, Frank Uwe; Ankah, Genesis Ngwa; Bashir, Asif; Ma, Duancheng; Biedermann, P Ulrich; Shrestha, Buddha Ratna; Nellessen, Monika; Khorashadizadeh, Anahita; Losada-Pérez, Patricia; Duarte, Maria Jazmin; Raabe, Dierk; Valtiner, Markus

    2015-09-02

    On page 4877, F. U. Renner, A. Bashir, M. Valtiner, and co-workers describe a star-like dealloying corrosion morphology that appears during the localized attack of smooth well-prepared Cu-Au surfaces. The surfaces are initially protected by thiol or selenol inhibitior films. Localized dealloying of Cu-Au produces nanoporous gold under stress and crystallographic cracks - thereby opening a new approach combining surface science with nanoscale mechanical testing.

  5. A numerical investigation of grain shape and crystallographic texture effects on the plastic strain localization in friction stir weld zones

    Science.gov (United States)

    Romanova, V.; Balokhonov, R.; Batukhtina, E.; Shakhidjanov, V.

    2015-10-01

    Crystal plasticity approaches were adopted to build models accounting for the microstructure and texture observed in different friction stir weld zones. To this end, a numerical investigation of crystallographic texture and grain shape effects on the plastic strain localization in a friction stir weld of an aluminum-base alloy was performed. The presence of texture was found to give rise to pronounced mesoscale plastic strain localization.

  6. Recombinant production, crystallization and X-ray crystallographic structure determination of the peptidyl-tRNA hydrolase of Pseudomonas aeruginosa

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, Ronny C.; McFeeters, Hana; Coates, Leighton; McFeeters, Robert L.

    2014-10-15

    The peptidyl-tRNA hydrolase enzyme from the pathogenic bacterium Pseudomonas aeruginosa (Pth; EC 3.1.1.29) has been cloned, expressed in Escherichia coli and crystallized for X-ray structural analysis. Suitable crystals were grown using the sitting-drop vapour-diffusion method after one week of incubation against a reservoir solution consisting of 20% polyethylene glycol 4000, 100 mM Tris pH 7.5, 10%(v/v) isopropyl alcohol. The crystals were used to obtain the three-dimensional structure of the native protein at 1.77 Å resolution. The structure was determined by molecular replacement of the crystallographic data processed in space group P6122 with unit-cell parameters a = b = 63.62,c = 155.20 Å, α = β = 90, γ = 120°. The asymmetric unit of the crystallographic lattice was composed of a single copy of the enzyme molecule with a 43% solvent fraction, corresponding to a Matthews coefficient of 2.43 Å3 Da-1. The crystallographic structure reported here will serve as the foundation for future structure-guided efforts towards the development of novel small-molecule inhibitors specific to bacterial Pths.

  7. Coupled Crystal Plasticity-Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation

    Science.gov (United States)

    Diehl, Martin; Wicke, Marcel; Shanthraj, Pratheek; Roters, Franz; Brueckner-Foit, Angelika; Raabe, Dierk

    2017-03-01

    Various mechanisms such as anisotropic plastic flow, damage nucleation, and crack propagation govern the overall mechanical response of structural materials. Understanding how these mechanisms interact, i.e. if they amplify mutually or compete with each other, is an essential prerequisite for the design of improved alloys. This study shows—by using the free and open source software DAMASK (the Düsseldorf Advanced Material Simulation Kit)—how the coupling of crystal plasticity and phase field fracture methods can increase the understanding of the complex interplay between crystallographic orientation and the geometry of a void. To this end, crack initiation and propagation around an experimentally obtained pore with complex shape is investigated and compared to the situation of a simplified spherical void. Three different crystallographic orientations of the aluminum matrix hosting the defects are considered. It is shown that crack initiation and propagation depend in a non-trivial way on crystallographic orientation and its associated plastic behavior as well as on the shape of the pore.

  8. The effect of magnetic annealing on crystallographic texture and magnetic properties of Fe-2.6% Si

    Energy Technology Data Exchange (ETDEWEB)

    Salih, M.Z., E-mail: mohammedzs2007@hotmail.com [Institut für Werkstoffkunde und Werkstofftechnik, TU Clausthal, Agricolastraße 6, D-38678 Clausthal-Zellerfeld (Germany); Uhlarz, M. [Dresden High Magnetic Field Laboratory (HLD), Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, D-01328 Dresden (Germany); Pyczak, F. [Instiute of Materials Research, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht (Germany); Brokmeier, H.-G. [Institut für Werkstoffkunde und Werkstofftechnik, TU Clausthal, Agricolastraße 6, D-38678 Clausthal-Zellerfeld (Germany); Instiute of Materials Research, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht (Germany); Weidenfeller, B. [Institut für Elektrochemie, Abteilung für Materialwissenschaft, Arnold-Sommerfeld-Straße 6, D-38678 Clausthal-Zellerfeld (Germany); Al-hamdany, N. [Institut für Werkstoffkunde und Werkstofftechnik, TU Clausthal, Agricolastraße 6, D-38678 Clausthal-Zellerfeld (Germany); Gan, W.M. [Instiute of Materials Research, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht (Germany); Zhong, Z.Y. [Institut für Werkstoffkunde und Werkstofftechnik, TU Clausthal, Agricolastraße 6, D-38678 Clausthal-Zellerfeld (Germany); Schell, N. [Instiute of Materials Research, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht (Germany)

    2015-05-01

    The effect of magnetic annealing on crystallographic texture, microstructure, defects density and magnetic properties of a Fe-2.6% Si steel has been analyzed. After two stage cold rolling (75% and 60% cold rolled) with intermediate annealing process at (600 °C/1 h) the sample annealed at 600 °C for one hour during which different magnetic field of 0, 7 and 14 T were applied has been investigated. The effect of defects density after cold rolling process on the recrystallization texture and magnetic properties was characterized. Heat treatments under a high external field of 14 T show a drastic improvement of the magnetic properties such as significantly increased permeability. Neutron diffraction measurements were preferred for measurement of the bulk sample texture so that sufficient grain statistics were obtained. Because of its small wavelength (0.05–0.2 Å) Synchrotron diffraction with high photon energy was used to evaluate the defects density by a modified Williamson–Hall plot. - Highlights: • We show the effect of the magnetic annealing after intermediate cold rolling on the crystallographic texture and magnetic properties. • Due the coarse grained we used Neutron diffraction for texture measurement. • We used hysteresis recorder to measure the magnetic properties. • The magnetic annealing leads to drastic improvements of the magnetic properties such as significantly increased permeability. • We show the effect of defect density on the crystallographic texture and magnetic properties.

  9. Phosphate tungsten bronze series: crystallographic and structural properties of low-dimensional conductors.

    Science.gov (United States)

    Roussel, P; Pérez, O; Labbé, P

    2001-10-01

    Phosphate tungsten bronzes have been shown to be conductors of low dimensionality. A review of the crystallographic and structural properties of this huge series of compounds is given here, corresponding to the present knowledge of the different X-ray studies and electron microscopy investigations. Three main families are described, monophosphate tungsten bronzes, Ax(PO2)4(WO3)2m, either with pentagonal tunnels (MPTBp) or with hexagonal tunnels (MPTBh), and diphosphate tungsten bronzes, Ax(P2O4)2(WO3)2m, mainly with hexagonal tunnels (DPTBh). The general aspect of these crystal structures may be described as a building of polyhedra sharing oxygen corners made of regular stacking of WO3-type slabs with a thickness function of m, joined by slices of tetrahedral PO4 phosphate or P2O7 diphosphate groups. The relations of the different slabs with respect to the basic perovskite structure are mentioned. The structural description is focused on the tilt phenomenon of the WO6 octahedra inside a slab of WO3-type. In this respect, a comparison with the different phases of the WO3 crystal structures is established. The various modes of tilting and the different possible connections between two adjacent WO3-type slabs involve a great variety of structures with different symmetries, as well as the existence of numerous twins in MPTBp's. Several phase transitions, with the appearance of diffuse scattering and modulation phenomena, were analysed by X-ray scattering measurements and through the temperature dependence of various physical properties for the MPTBp's. The role of the W displacements within the WO3-type slabs, in two modulated structures (m = 4 and m = 10), already solved, is discussed. Finally, the complexity of the structural aspects of DPTBh's is explained on the basis of the average structures which are the only ones solved.

  10. Identifying unknown nanocrystals by fringe fingerprinting in two dimensions and free-access crystallographic databases

    Science.gov (United States)

    Moeck, Peter; Čertik, Ondřej; Seipel, Bjoern; Groebner, Rebecca; Noice, Lori; Upreti, Girish; Fraundorf, Philip; Erni, Rolf; Browning, Nigel D.; Kiesow, Andreas; Jolivet, Jean-Pierre

    2005-11-01

    New needs to determine the crystallography of nanocrystals arise with the advent of science and engineering on the nanometer scale. Direct space high-resolution phase-contrast transmission electron microscopy (HRTEM) and atomic resolution Z-contrast scanning TEM (Z-STEM), when combined with tools for image-based nanocrystallography possess the capacity to meet these needs. This paper introduces such a tool, i.e. fringe fingerprinting in two dimensions (2D), for the identification of unknown nanocrystal phases and compares this method briefly to qualitative standard powder X-ray diffractometry (i.e. spatial frequency fingerprinting). Free-access crystallographic databases are also discussed because the whole fingerprinting concept is only viable if there are comprehensive databases to support the identification of an unknown nanocrystal phase. This discussion provides the rationale for our ongoing development of a dedicated free-access Nano-Crystallography Database (NCD) that contains comprehensive information on both nanocrystal structures and morphologies. The current status of the NCD project and plans for its future developments are briefly outlined. Although feasible in contemporary HRTEMs and Z-STEMs, fringe fingerprinting in 2D (and image-based nanocrystallography in general) will become much more viable with the increased availability of aberration-corrected transmission electron microscopes. When the image acquisition and interpretation are, in addition, automated in such microscopes, fringe fingerprinting in 2D will be able to compete with powder X-ray diffraction for the identification of unknown nanocrystal phases on a routine basis. Since it possesses a range of advantages over powder X-ray diffractometry, e.g., fringe fingerprint plots contain much more information for the identification of an unknown crystal phase, fringe fingerprinting in 2D may then capture a significant part of the nanocrystal metrology market.

  11. Crystallographic texture and microstructural changes in fusion welds of recrystallized Zry-4 rolled plates

    Science.gov (United States)

    Moya Riffo, A.; Vicente Alvarez, M. A.; Santisteban, J. R.; Vizcaino, P.; Limandri, S.; Daymond, M. R.; Kerr, D.; Okasinski, J.; Almer, J.; Vogel, S. C.

    2017-05-01

    This work presents a detailed characterization of the microstructural and crystallographic texture changes observed in the transition region in a weld between two Zircaloy-4 cold rolled and recrystallized plates. The microstructural study was performed by optical microscopy under polarized light and scanning electron microscopy (SEM). Texture changes were characterized at different lengthscales: in the micrometric size, orientation imaging maps (OIM) were constructed by electron backscatter diffraction (EBSD), in the millimetre scale, high energy XRD experiments were done at the Advanced Photon Source (USA) and compared to neutron diffraction texture determinations performed in the HIPPO instrument at Los Alamos National Laboratory. In the heat affected zone (HAZ) we observed the development of Widmanstätten microstructures, typical of the α(hcp) to β(bcc) phase transformation. Associated with these changes a rotation of the c-poles is found in the HAZ and fusion zone. While the base material shows the typical texture of a cold rolled plate, with their c-poles pointing 35° apart from the normal direction of the plate in the normal-transversal line, in the HAZ, c-poles align along the transversal direction of the plate and then re-orient along different directions, all of these changes occurring within a lengthscale in the order of mm. The evolution of texture in this narrow region was captured by both OIM and XRD, and is consistent with previous measurements done by Neutron Diffraction in the HIPPO diffractometer at Los Alamos National Laboratory, USA. The microstructural and texture changes along the HAZ were interpreted as arising due to the effect of differences in the cooling rate and β grain size on the progress of the different α variants during transformation. Fast cooling rates and large β grains are associated to weak variant selection during the β->α transformation, while slow cooling rates and fine β grains result in strong variant selection.

  12. Identification of succinic semialdehyde reductases from Geobacter: expression,purification, crystallization, preliminary functional, and crystallographic analysis

    Institute of Scientific and Technical Information of China (English)

    Yanfeng Zhang; Xiaoli Gao; Yi Zheng; R. Michae; Garavito

    2011-01-01

    Succinic semialdehyde reductase (SSAR) is an important enzyme involved in γ-aminobutyrate (GABA) metabolism.By converting succinic semialdehyde (SSA) to γ-hydroxybutyrate (GHB),the SSAR facilitates an alternative pathway for GABA degradation.In this study,we identified SSARs from Geobacter sulfurreducens and Geobacter metallireducens (GsSSAR and GmSSAR,respectively).The enzymes were over-expressed in Escherichia coil and purified to near homogeneity.Both GsSSAR and GmSSAR showed the activity of reducing SSA using nicotinamide adenine dinucleotide phosphate as a co-factor.The oligomeric sizes of GsSSAR and GmSSAR,as determined by analytical size exclusion chromatography,suggest that the enzymes presumably exist as tetramers in solution.The recombinant GsSSAR and GmSSAR crystallized in the presence of NADP+,and the resulting crystals diffracted to 1.89 (A) (GsSSAR) and 2.25 (A)(GmSSAR) resolution.The GsSSAR and GmSSAR crystals belong to the space groups P21221 (a =99.61 (A),b =147.49 (A),c =182.47 A) and P1 (a =75.97 (A) b =79.14 (A) c =95.47 (A),α =82.15°,β =88.80°,γ=87.66°),respectively.Preliminary crystallographic data analysis suggests the presence of eight protein monomers in the asymmetric units for both GsSSAR and GmSSAR.

  13. High-temperature in situ crystallographic observation of reversible gas sorption in impermeable organic cages.

    Science.gov (United States)

    Baek, Seung Bin; Moon, Dohyun; Graf, Robert; Cho, Woo Jong; Park, Sung Woo; Yoon, Tae-Ung; Cho, Seung Joo; Hwang, In-Chul; Bae, Youn-Sang; Spiess, Hans W; Lee, Hee Cheon; Kim, Kwang S

    2015-11-17

    Crystallographic observation of adsorbed gas molecules is a highly difficult task due to their rapid motion. Here, we report the in situ single-crystal and synchrotron powder X-ray observations of reversible CO2 sorption processes in an apparently nonporous organic crystal under varying pressures at high temperatures. The host material is formed by hydrogen bond network between 1,3,5-tris-(4-carboxyphenyl)benzene (H3BTB) and N,N-dimethylformamide (DMF) and by π-π stacking between the H3BTB moieties. The material can be viewed as a well-ordered array of cages, which are tight packed with each other so that the cages are inaccessible from outside. Thus, the host is practically nonporous. Despite the absence of permanent pathways connecting the empty cages, they are permeable to CO2 at high temperatures due to thermally activated molecular gating, and the weakly confined CO2 molecules in the cages allow direct detection by in situ single-crystal X-ray diffraction at 323 K. Variable-temperature in situ synchrotron powder X-ray diffraction studies also show that the CO2 sorption is reversible and driven by temperature increase. Solid-state magic angle spinning NMR defines the interactions of CO2 with the organic framework and dynamic motion of CO2 in cages. The reversible sorption is attributed to the dynamic motion of the DMF molecules combined with the axial motions/angular fluctuations of CO2 (a series of transient opening/closing of compartments enabling CO2 molecule passage), as revealed from NMR and simulations. This temperature-driven transient molecular gating can store gaseous molecules in ordered arrays toward unique collective properties and release them for ready use.

  14. Identification of succinic semialdehyde reductases from Geobacter: expression, purification, crystallization, preliminary functional, and crystallographic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanfeng; Gao, Xiaoli; Zheng, Yi; Garavito, R. Michael (MSU)

    2012-04-30

    Succinic semialdehyde reductase (SSAR) is an important enzyme involved in {gamma}-aminobutyrate (GABA) metabolism. By converting succinic semialdehyde (SSA) to {gamma}-hydroxybutyrate (GHB), the SSAR facilitates an alternative pathway for GABA degradation. In this study, we identified SSARs from Geobacter sulfurreducens and Geobacter metallireducens (GsSSAR and GmSSAR, respectively). The enzymes were over-expressed in Escherichia coli and purified to near homogeneity. Both GsSSAR and GmSSAR showed the activity of reducing SSA using nicotinamide adenine dinucleotide phosphate as a co-factor. The oligomeric sizes of GsSSAR and GmSSAR, as determined by analytical size exclusion chromatography, suggest that the enzymes presumably exist as tetramers in solution. The recombinant GsSSAR and GmSSAR crystallized in the presence of NADP{sup +}, and the resulting crystals diffracted to 1.89 {angstrom} (GsSSAR) and 2.25 {angstrom} (GmSSAR) resolution. The GsSSAR and GmSSAR crystals belong to the space groups P2{sub 1}22{sub 1} (a = 99.61 {angstrom}, b = 147.49 {angstrom}, c = 182.47 {angstrom}) and P1 (a = 75.97 {angstrom}, b = 79.14 {angstrom}, c = 95.47 {angstrom}, {alpha} = 82.15{sup o}, {beta} = 88.80{sup o}, {gamma} = 87.66{sup o}), respectively. Preliminary crystallographic data analysis suggests the presence of eight protein monomers in the asymmetric units for both GsSSAR and GmSSAR.

  15. Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots.

    Science.gov (United States)

    Kim, Han-Woo; Ishikawa, Kazuhiko

    2011-07-15

    A hyperthermophilic membrane-related β-1,4-endoglucanase (family 5, cellulase) of the archaeon Pyrococcus horikoshii was found to be capable of hydrolysing cellulose at high temperatures. The hyperthermophilic cellulase has promise for applications in biomass utilization. To clarify its detailed function, we determined the crystal structures of mutants of the enzyme in complex with either the substrate or product ligands. We were able to resolve different kinds of complex structures at 1.65-2.01 Å (1 Å=0.1 nm). The structural analysis of various mutant enzymes yielded a sequence of crystallographic snapshots, which could be used to explain the catalytic process of the enzyme. The substrate position is fixed by the alignment of one cellobiose unit between the two aromatic amino acid residues at subsites +1 and +2. During the enzyme reaction, the glucose structure of cellulose substrates is distorted at subsite -1, and the β-1,4-glucoside bond between glucose moieties is twisted between subsites -1 and +1. Subsite -2 specifically recognizes the glucose residue, but recognition by subsites +1 and +2 is loose during the enzyme reaction. This type of recognition is important for creation of the distorted boat form of the substrate at subsite -1. A rare enzyme-substrate complex was observed within the low-activity mutant Y299F, which suggested the existence of a trapped ligand structure before the formation by covalent bonding of the proposed intermediate structure. Analysis of the enzyme-substrate structure suggested that an incoming water molecule, essential for hydrolysis during the retention process, might be introduced to the cleavage position after the cellobiose product at subsites +1 and +2 was released from the active site.

  16. Crystallographic, microstructure and mechanical characteristics of dynamically processed IN718 superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, A.D., E-mail: ads.hpu@gmail.com [Department of Physics, Himachal Pradesh University, Shimla 171005 (India); Sharma, A.K. [Terminal Ballistics Research Laboratory, Chandigarh 160030 (India); Thakur, N. [Department of Physics, Himachal Pradesh University, Shimla 171005 (India)

    2014-06-01

    Highlights: • Measurement of detonation velocity and compaction of powder are achieved together. • A plastic explosive detonation results into dense compacts without grain-growth. • We have studied crystallographic, micromechanical and microstructural features. • The results show no segregation within the compacts. • Density (98%), microhardness (470 ± 3)H{sub v}, microstrain (0.3%), UTS (806 MPa) are obtained. - Abstract: Dynamic consolidation of IN718 superalloy powder without grain-growth and negligible density gradient is accomplished through explosively generated shock wave loading. The compaction of powder and measurement of detonation velocity are achieved successfully in a single-shot experiment by employing instrumented detonics. A plastic explosive having a detonation velocity of the order of 7.1 km/s in a direct proximity with superalloy powder is used for the consolidation process. The compacted specimens are examined for structural, microstructure and mechanical characteristics. X-ray diffraction (XRD) study suggests intact crystalline structure of the compacts. A small micro-strain (0.26%) is observed by using Williamson–Hall method. Wavelength dispersive spectroscopy indicates no segregation within the shock processed superalloy compacted specimens. The monoliths investigated for fractography by using field emission scanning electron microscopy (FE-SEM) show original dendritic structure accompanied by re-solidified molten regions across the interparticle boundaries. Depth-sensing indentations (at 1.96 N) on compacted specimens show excellent micro-hardness of the order of (470 ± 3)H{sub v}. Tensile and compressive strengths of the superalloy monolith are observed to be 806 and 822 MPa, respectively.

  17. Crystallographic texture and microstructural changes in fusion welds of recrystallized Zry-4 rolled plates

    Energy Technology Data Exchange (ETDEWEB)

    Riffo, A. Moya; Alvarez, M.A.Vicente; Santisteban, J R; Vizcaino, P; Limandri, S.; Daymond, M. R.; Kerr, D.; Vogel, S C; Almer, J.; Okasinski, J.

    2017-02-08

    This study presents a detailed characterization of the microstructural and crystallographic texture changes observed in the transition region in a weld between two Zircaloy-4 cold rolled and recrystallized plates. The microstructural study was performed by optical microscopy under polarized light and scanning electron microscopy (SEM). Texture changes were characterized at different lengthscales: in the micrometric size, orientation imaging maps (OIM) were constructed by electron backscatter diffraction (EBSD), in the millimetre scale, high energy XRD experiments were done at the Advanced Photon Source (USA) and compared to neutron diffraction texture determinations performed in the HIPPO instrument at Los Alamos National Laboratory. In the heat affected zone (HAZ) we observed the development of Widmanstätten microstructures, typical of the α(hcp) to β(bcc) phase transformation. Associated with these changes a rotation of the c-poles is found in the HAZ and fusion zone. While the base material shows the typical texture of a cold rolled plate, with their c-poles pointing 35° apart from the normal direction of the plate in the normal-transversal line, in the HAZ, c-poles align along the transversal direction of the plate and then re-orient along different directions, all of these changes occurring within a lengthscale in the order of mm. The evolution of texture in this narrow region was captured by both OIM and XRD, and is consistent with previous measurements done by Neutron Diffraction in the HIPPO diffractometer at Los Alamos National Laboratory, USA. The microstructural and texture changes along the HAZ were interpreted as arising due to the effect of differences in the cooling rate and β grain size on the progress of the different α variants during transformation. Fast cooling rates and large β grains are associated to weak variant selection during the β–>α transformation, while slow cooling rates and fine β grains result in strong

  18. Compensatory evolution of pbp mutations restores the fitness cost imposed by β-lactam resistance in Streptococcus pneumoniae.

    Directory of Open Access Journals (Sweden)

    Andrea G Albarracín Orio

    2011-02-01

    Full Text Available The prevalence of antibiotic resistance genes in pathogenic bacteria is a major challenge to treating many infectious diseases. The spread of these genes is driven by the strong selection imposed by the use of antibacterial drugs. However, in the absence of drug selection, antibiotic resistance genes impose a fitness cost, which can be ameliorated by compensatory mutations. In Streptococcus pneumoniae, β-lactam resistance is caused by mutations in three penicillin-binding proteins, PBP1a, PBP2x, and PBP2b, all of which are implicated in cell wall synthesis and the cell division cycle. We found that the fitness cost and cell division defects conferred by pbp2b mutations (as determined by fitness competitive assays in vitro and in vivo and fluorescence microscopy were fully compensated by the acquisition of pbp2x and pbp1a mutations, apparently by means of an increased stability and a consequent mislocalization of these protein mutants. Thus, these compensatory combinations of pbp mutant alleles resulted in an increase in the level and spectrum of β-lactam resistance. This report describes a direct correlation between antibiotic resistance increase and fitness cost compensation, both caused by the same gene mutations acquired by horizontal transfer. The clinical origin of the pbp mutations suggests that this intergenic compensatory process is involved in the persistence of β-lactam resistance among circulating strains. We propose that this compensatory mechanism is relevant for β-lactam resistance evolution in Streptococcus pneumoniae.

  19. Cloud-resolving simulation of convective ensemble during TOGA-COARE using imposed and parameterized large-scale dynamics

    Science.gov (United States)

    Wang, S.; Sobel, A. H.; Kuang, Z.

    2012-12-01

    We will present results from cloud-resolving simulations of convective ensembles during the 4-month TOGA-COARE field campaign. Our cloud-resolving model (CRM) is driven by large scale vertical velocities that are either imposed, as many other studies, or parameterized using one of two different methods: the damped gravity wave method and the weak temperature gradient (WTG) method. Other forcings such as sea surface temperature and relaxation of the horizontal mean horizontal wind field are also applied to the model. The primary finding is that the CRM with imposed large-scale vertical motion can simulate observed convective variabilities with fidelity, while the CRM with parameterized large-scale vertical motion can capture the intraseasonal variations in rainfall to some degree. Surface evaporation from the latter compares particularly well with that derived from TOGA sounding array. The parameterized large scale vertical velocity has a vertical profile that is too bottom-heavy compared to observations when the wave coupling method is used with vertically uniform Rayleigh damping on horizontal wind, but too top-heavy when the WTG method is used. Key physical processes responsible for CRM simulated rainfall variations will also be identified. Finally, preliminary results from CRM simulations of convective ensemble during DYNAMO will be discussed.

  20. Ambivalence toward imposed change: the conflict between dispositional resistance to change and the orientation toward the change agent.

    Science.gov (United States)

    Oreg, Shaul; Sverdlik, Noga

    2011-03-01

    Following an analysis of the concept of "imposed change," we propose 2 factors that jointly contribute to an individual's experience of ambivalence to imposed change. In a secondary analysis of data (N = 172) and 2 field studies (N = 104, N = 89), we showed that individuals' personal orientation toward change interacts with their orientation toward the change agent and yields ambivalence. Specifically, among employees with a positive orientation toward the change agent (i.e., high trust in management, identification with the organization), the relationship between employees' dispositional resistance to change and ambivalence was positive. The opposite pattern emerged among employees with a negative orientation toward the change agent (Studies 2 and 3). Our findings suggest that researchers may have been misinterpreting employees' reactions to change, neglecting the possibility that some may simultaneously hold strong, yet conflicting, views about the change. By accounting for, and predicting, ambivalence, these studies provide a more accurate explanation of employees' responses to change. PsycINFO Database Record (c) 2011 APA, all rights reserved.

  1. Structure and function of proteins investigated by crystallographic and spectroscopic time-resolved methods

    Science.gov (United States)

    Purwar, Namrta

    Biomolecules play an essential role in performing the necessary functions for life. The goal of this thesis is to contribute to an understanding of how biological systems work on the molecular level. We used two biological systems, beef liver catalase (BLC) and photoactive yellow protein (PYP). BLC is a metalloprotein that protects living cells from the harmful effects of reactive oxygen species by converting H2O2 into water and oxygen. By binding nitric oxide (NO) to the catalase, a complex was generated that mimics the Cat-H2O2 adduct, a crucial intermediate in the reaction promoted by the catalase. The Cat-NO complex is obtained by using a convenient NO generator (1-(N,N-diethylamino)diazen-1-ium-1,2-diolate). Concentrations up to 100˜200 mM are reached by using a specially designed glass cavity. With this glass apparatus and DEANO, sufficient NO occupation is achieved and structure determination of the catalase with NO bound to the heme iron becomes possible. Structural changes upon NO binding are minute. NO has a slightly bent geometry with respect to the heme normal, which results in a substantial overlap of the NO orbitals with the iron-porphyrin molecular orbitals. From the structure of the iron-NO complex, conclusions on the electronic properties of the heme iron can be drawn that ultimately lead to an insight into the catalytic properties of this enzyme. Enzyme kinetics is affected by additional parameters such as temperature and pH. Additionally, in crystallography, the absorbed X-ray dose may impair protein function. To address the effect of these parameters, we performed time-resolved crystallographic experiments on a model system, PYP. By collecting multiple time-series on PYP at increasing X-ray dose levels, we determined a kinetic dose limit up to which kinetically meaningful X-ray data sets can be collected. From this, we conclude that comprehensive time-series spanning up to 12 orders of magnitude in time can be collected from a single PYP

  2. Differences in exercise intensity seems to influence the affective responses in self-selected and imposed exercise: a meta-analysis

    Directory of Open Access Journals (Sweden)

    Bruno eOliveira

    2015-08-01

    Full Text Available Self-selected exercise seems to promote positive affective responses due to the perceived autonomy associated with it. The objective of the present study was to determine the magnitude of differences in Feeling Scale (FS responses during self-selected and imposed exercise sessions. The PRISMA Statement was adopted for this meta-analysis. The search used PubMed, Scopus, PsycINFO, and ISI Web of Knowledge databases. A total of 10 studies that compared the effects of self-selected and imposed exercise sessions on acute FS responses were included. The screening strategy included: exclusion of studies that were duplicated between databases, abstract screening, and text screening. The standardized mean difference (SMD between self-selected and imposed exercise sessions categorized in five intensities (equal intensity: both exercises were performed at the same intensity, below lactate/ventilatory threshold (LT/VT: imposed exercise was performed at an intensity below the LT/VT, at LT/VT: imposed exercise was performed at the LT/VT intensity, above LT/VT: imposed exercise was performed at an intensity above the LT/VT, and different intensity: both exercises were performed at different intensities and the intensity of imposed session was not reported relative to LT/VT and an overall SMD were calculated. Self-selected exercise was used as the reference condition. The subtotal SMD values were as follows: -.10 (equal intensity, -.36 (below LT/VT, -.57 (at LT/VT, -1.30 (above LT/VT, and -.09 (different intensity. The overall SMD was -.41. These results have shown that the differences in the exercise intensity used in imposed exercise sessions influenced the affective responses considering that higher intensities of imposed session provided higher effect size in favor of self-selected exercise.

  3. Revealing a Possible Implication by Imposing Lee-Yang Theorem on the Partition Function of the Universe

    CERN Document Server

    Chuang, William Huanshan

    2015-01-01

    The goals of this note are twofold: First, to revisit a mechanism proposed by Ho\\v{r}ava and Minic\\cite{Horava:2000fk} which generates a zero cosmological constant to the Universe based on Boltzmann probability distribution and the Holographic principle, a comparison between the zero cosmological constant and recent observation results is given. Secondly, in order to investigate the possibility of phase-transition phenomena of the Universe, a further study on an exponential class of the partition function of the Universe, which is given by Shaw and Barrow \\cite{Shaw:2011ij,Barrow:2011bs} was provided by investigating the distribution of Lee-Yang zeros are given. The contribution of this paper is that after applying the fundamental theorem of algebra to one action chosen from the exponential class that derived from the Shaw and Barrow's works, the Lee-Yang theorem can be applied to the selected action, meaning that critical phenomena might involve the growth of large-scale structure of the Universe, and the ph...

  4. Adaptation of the tourism in Romania to the new economic context imposed by the global economic crisis (in 2010

    Directory of Open Access Journals (Sweden)

    Silvia IFTIME

    2013-01-01

    Full Text Available The global economic crisis affected the tourist market from Romania since 2008. 2010 was for the Romanian tourism enterprises the year of successful attempts to respond to the economic and social stimuli imposed by the economic crisis. The way in which they managed to cope with the crisis shows that solutions are available to those who adapt to the conditions of fierce competition.The global economic crisis rippled its effects in all areas of activity, tourism included. Some field entrepreneurs consider that tourism will be the most affected sector of services by this crisis because the consumers will leave it at the bottom of the basket of consumption goods and services.

  5. The wall shear force on a liquid droplet adhering to a solid surface under an imposed shear

    Science.gov (United States)

    Shabtay, Royi; Frankel, Itzchak

    2011-11-01

    We focus on large droplet viscosities typical of those appearing in the upper respiratory tract of CF or chronically ventilated patients. To further simplify the problem we assume vanishingly small capillary numbers and consider (non-deformable) hemispherical droplets. Under these assumptions the problem decouples into (i) the external problem of imposed shear flow over a planar solid wall with a hemispherical protuberance which is simulated by means of a commercially available finite - volume code and (ii) the inner Stokes flow animated by the now prescribed shear stress distribution over the liquid surface. The latter problem is addressed through use of series expansions in spherical harmonics. The interaction between the caterpillar inner - fluid motion and the solid substrate results in a shear force adding to the external - flow drag force acting in the downstream direction. Throughout the range of outer - flow Reynolds numbers considered (0.05-50) this interaction contributes over 35% of the total hydrodynamic force acting to dislodge the droplet.

  6. Soft-clamp fiber bundle model and interfacial crack propagation: comparison using a non-linear imposed displacement

    Science.gov (United States)

    Stormo, Arne; Lengliné, Olivier; Schmittbuhl, Jean; Hansen, Alex

    2016-05-01

    We compare experimental observations of a slow interfacial crack propagation along an heterogeneous interface to numerical simulations using a soft-clamped fiber bundle model. The model consists of a planar set of brittle fibers between a deformable elastic half-space and a rigid plate with a square root shape that imposes a non linear displacement around the process zone. The non-linear square-root rigid shape combined with the long range elastic interactions is shown to provide more realistic displacement and stress fields around the crack tip in the process zone and thereby significantly improving the predictions of the model. Experiments and model are shown to share a similar self-affine roughening of the crack front both at small and large scales and a similar distribution of the local crack front velocity. Numerical predictions of the Family-Viscek scaling for both regimes are discussed together with the local velocity distribution of the fracture front.

  7. El intermediario imposible

    OpenAIRE

    Cerrillo Vidal, José Antonio

    2009-01-01

    La posición ética del investigador cualitativo es una de las más comprometidas del campo científico. Por una parte, como científicos debemos cumplir los requisitos de rigor, formalización y análisis del campo, es decir tendemos a objetivar a los sujetos estudiados. Además, nos vemos obligados a responder ante los financiadores de nuestras investigaciones, principalmente el Estado y el mercado, lo que inserta nuestro trabajo en estrategias de poder. Por otro lado, las características de nuestr...

  8. Es imposible no comunicar

    Directory of Open Access Journals (Sweden)

    Joan Costa y Solá-Segalés

    2012-04-01

    Full Text Available La confusión entre "comunicar" y "significar" proviene del hecho de que la comunicación transporta significados, pero también se producen significados fuera del proceso de comunicación. Es lo que llamamos "semiosis no comunicativa".

  9. Crystallographic and magnetic properties of Cu{sub 2}U-type hexaferrite

    Energy Technology Data Exchange (ETDEWEB)

    Kamishima, K., E-mail: kamisima@fms.saitama-u.ac.jp [Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Saitama 338-8570 (Japan); Tajima, R.; Watanabe, K.; Kakizaki, K.; Fujimori, A.; Sakai, M. [Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Saitama 338-8570 (Japan); Watanabe, K. [Global Research Cluster, Collaboration Promotion Unit, RIKEN, 2-1 Wako, Saitama 351-0198 (Japan); Abe, H. [Advanced Electronic Materials Center, National Institute of Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan)

    2015-02-01

    We have investigated the synthesis conditions, and the magnetic properties of the Cu{sub 2}U-type hexagonal ferrite, Ba{sub 4}Cu{sub 2}Fe{sub 36}O{sub 60}. The Cu{sub 2}U-type hexaferrite was synthesized at the sintering temperature of 1050 °C with the initial composition of Ba{sub 4.4}Cu{sub 2}Fe{sub 37.6}O{sub 62.8} (Cu{sub 2}U+0.2T-block). The saturation magnetizations at 300 K and 5 K are 46.8 A m{sup 2}/kg and 65.0 A m{sup 2}/kg, respectively. The Curie temperature is 420 °C which is lower than that of the M-type ferrite (450 °C) but higher than that of the Cu{sub 2}Y-type ferrite (320 °C). The amount of the nonmagnetic impurity in this sample is estimated to be about 10 wt% by the electron probe micro analysis. We estimated the expected saturation magnetization to be 65.2 A m{sup 2}/kg, by assuming the model of a Néel-type ferrimagnetic structure and the reduction of magnetization by the 10 wt% nonmagnetic impurity. This is consistent with the observed magnetization of 65.0 A m{sup 2}/kg at 5 K. - Highlights: • We have synthesized the crystallographic single-phase Cu{sub 2}U-type hexagonal ferrite. • M{sub S} is found to be 46.8 A·m{sup 2}/kg at 300 K and 65.0 A·m{sup 2}/kg at 5 K. • T{sub C} is 420°C. It is lower than T{sub C}{sup M-type} (450°C) but higher than T{sub C}{sup Cu2Y-type} (320°C). • The estimated saturation magnetization is consistent with experimental M{sub S} at 5 K.

  10. Crystallographic Characteristic of Intermetallic Compounds in Al-Si-Mg Casting Alloys Using Electron Backscatter Diffraction

    Institute of Scientific and Technical Information of China (English)

    ZOU Yongzhi; XU Zhengbing; HE Juan; ZENG Jianmin

    2010-01-01

    The Al-Si-Mg alloy which can be strengthened by heat treatment is widely applied to the key components of aerospace and aeronautics. Iron-rich intermetallic compounds are well known to be strongly influential on mechanical properties in Al-Si-Mg alloys. But intermetallic compounds in cast Al-Si-Mg alloy intermetallics are often misidentified in previous metallurgical studies. It was described as many different compounds, such as AlFeSi, Al8Fe2Si, Al5(Fe, Mn)3Si2 and so on. For the purpose of solving this problem, the intermetallic compounds in cast Al-Si alloys containing 0.5% Mg were investigated in this study. The iron-rich compounds in Al-Si-Mg casting alloys were characterized by optical microscope(OM), scanning electron microscope(SEM), energy dispersive X-ray spectrometer(EDS), electron backscatter diffraction(EBSD) and X-ray powder diffraction(XRD). The electron backscatter diffraction patterns were used to assess the crystallographic characteristics of intermetallic compounds. The compound which contains Fe/Mg-rich particles with coarse morphologies was Al8FeMg3Si6 in the alloy by using EBSD. The compound belongs to hexagonal system, space group P2m, with the lattice parameter a=0.662 nm, c=0.792 nm. The β-phase is indexed as tetragonal Al3FeSi2, space group I4/mcm, a=0.607 nm and c=0.950 nm. The XRD data indicate that Al8FeMg3Si6 and Al3FeSi2 are present in the microstructure of Al-7Si-Mg alloy, which confirms the identification result of EBSD. The present study identified the iron-rich compound in Al-Si-Mg alloy, which provides a reliable method to identify the intermetallic compounds in short time in Al-Si-Mg alloy. Study results are helpful for identification of complex compounds in alloys.

  11. Hematite and Goethite (U-Th)/He/Ne ages interpretation using crystallographic data and diffusion parameters

    Science.gov (United States)

    Gautheron, Cécile; Balout, Hilal; Roques, Jérôme; Allard, Thierry; Morin, Guillaume; Tassan-Got, Laurent

    2016-04-01

    incorporated in this code in order to reproduce realistic crystallographic structure. Balout, H., Roques, J., Gautheron, C., Tassan-Got, L., Mbongo-Djimbi, D., submitted a. Helium diffusion in pure hematite (α-Fe2O3) for thermochronometric applications: a theoretical multi-scale study. Balout, H., Roques, J., Gautheron, C., Tassan-Got, L., submitted b. Computational investigation of the interstitial neon diffusion in pure hematite, α-Fe2O3. Gautheron, C., Tassan-Got, L., 2010. A Monte Carlo approach of diffusion applied to noble gas/helium thermochronology. Chemical Geology, 273: 212-224.

  12. In situ monitoring of crystallographic changes in Pd induced by diffusion of D

    Science.gov (United States)

    Skelton, E. F.; Hagans, P. L.; Qadri, S. B.; Dominguez, D. D.; Ehrlich, A. C.; Hu, J. Z.

    1998-12-01

    Crystallographic changes in a palladium wire cathode were monitored in situ, as deuterium was electrochemically deposited on the surface and diffused radially into the wire. Initially, the wire was pure Pd. A constant electrolysis current density of 1 mA/cm2 was maintained and D slowly diffused into the wire. As the D concentration increased, the wire transformed from pure Pd, to the α phase, and finally into the β phase. This reversible phase transformation begins on the surface and progresses radially inward. During the experiment, x-ray-diffraction data were collected from a volume element of about 180 pl. This volume element was systematically moved in 50-μm steps from the edge to the center of a 1.0 mm diameter Pd wire. Throughout the course of the experiment, the bulk value of x in PdDx, as determined from simultaneous measurements of the electrical resistivity, increased from 0 to ~0.72. For each setting of the volume element, a monotonic increase in the volume of the α phase was observed, until the material entered the two-phase region. Once the β phase appeared, the volumes of both phases decreased slightly with continued loading. The integrated intensities of diffraction peaks from each phase were used in conjunction with the known phase diagram to estimate the rate of compositional change within the volume element. The diffusion rate for the solute atoms was estimated to be 57+/-8 nm/s, based on the temporal and spatial dependence of the integrated intensities of the diffraction peaks from each phase. These data also were used to evaluate the time dependence of the concentration of the solute atoms ∂c/∂t and their diffusivity D. The value of ∂c/∂t increased linearly from 6.2×10-5 s-1 at the surface, to 7.6×10-5 s-1 midway into the wire. D was computed to be (3.1+/-1.0)×10-11 m2/s when the transition began at r=250 μm 2 ks later it had decreased to (2.1+/-0.3)×10-11 m2/s. This may be due to the fact that the volume of the β lattice also

  13. Local dynamics of proteins and DNA evaluated from crystallographic B factors

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Bohdan, E-mail: bohdan.schneider@gmail.com [Institute of Biotechnology AS CR, Videnska 1083, 142 20 Prague (Czech Republic); Gelly, Jean-Christophe; Brevern, Alexandre G. de [INSERM, U1134, DSIMB, 75739 Paris (France); Université Paris Diderot, Sorbonne Paris Cité, UMR-S 1134, 75739 Paris (France); Institut National de la Transfusion Sanguine (INTS), 75739 Paris (France); Laboratoire d’Excellence GR-Ex, 75739 Paris (France); Černý, Jiří [Institute of Biotechnology AS CR, Videnska 1083, 142 20 Prague (Czech Republic)

    2014-09-01

    surprising. The features discriminating different types of residues are less pronounced in structures with lower crystallographic resolution. Some of the observed trends are likely to be the consequence of improper refinement protocols that may need to be rectified.

  14. Mineralogical, crystallographic and redox features of the earliest stages of fluid alteration in CM chondrites

    Science.gov (United States)

    Pignatelli, Isabella; Marrocchi, Yves; Mugnaioli, Enrico; Bourdelle, Franck; Gounelle, Matthieu

    2017-07-01

    The CM chondrites represent the largest group of hydrated meteorites and span a wide range of conditions, from less altered (i.e., CM2) down to heavily altered (i.e., CM1). The Paris chondrite is considered the least altered CM and thus enables the earliest stages of aqueous alteration processes to be deciphered. Here, we report results from a nanoscale study of tochilinite/cronstedtite intergrowths (TCIs) in Paris-TCIs being the emblematic secondary mineral assemblages of CM chondrites, formed from the alteration of Fe-Ni metal beads (type-I TCIs) and anhydrous silicates (type-II TCIs). We combined high-resolution transmission electron microscopy, scanning transmission X-ray microscopy and electron diffraction tomography to characterize the crystal structure, crystal chemistry and redox state of TCIs. The data obtained are useful to reconstruct the alteration conditions of Paris and to compare them with those of other meteorites. Our results show that tochilinite in Paris is characterized by a high hydroxide layer content (n = 2.1-2.2) regardless of the silicate precursors. When examined alongside other CMs, it appears that the hydroxide layer and iron contents of tochilinites correlate with the degree of alteration experienced by the chondrites. The Fe3+/ΣFe ratios of TCIs are high: 8-15% in tochilinite, 33-60% in cronstedtite and 70-80% in hydroxides. These observations suggest that alteration of CM chondrites took place under oxidizing conditions that could have been induced by significant H2 release during serpentinization. Similar results were recently reported in CR chondrites (Le Guillou et al., 2015), suggesting that the process(es) controlling the redox state of the secondary mineral assemblages were quite similar in the CM and CR parent bodies despite the different alteration conditions. According to our mineralogical and crystallographic survey, the formation of TCIs in Paris occurred at temperatures lower than 100 °C, under neutral, slightly alkaline

  15. Crystallographically Oriented Cobalt Chromium Tantalum Thin-Film Media for High Areal Density Recording.

    Science.gov (United States)

    Deng, Youping

    In order to develop the techniques for increasing recording areal density, microstructural, magnetic and recording properties of crystallographically-oriented CoCrTa thin-films were investigated. The oriented films included bi-crystal and quad-crystal CoCrTa thin films, which were prepared by sputtering on (100) and (110) single crystal Cr substrates, respectively. A theoretical model was developed to calculate the in-plane torque curves of the oriented films. Based on this model, experimental investigations were conducted on the quad-crystal CoCrTa films. It was found that, by fitting the measured in-plane torque curves of the quad -crystal CoCrTa film, it was possible to determine the magnetocrystalline anisotropy constants (K_{rm u1 } and K_{rm u2}) of the CoCrTa film. The torque curves of quad -crystal films were also found to be indicative of the grain isolation and could be used to optimize the sputtering conditions. Substrate bias changed the film composition and lowered M_{rm s} and K_{rm u1}, while improving grain isolation. A more realistic micromagnetic model, which used the measured values of M_ {rm s} and K_{ rm u1} and took the film's grain-cluster microstructure into account, was developed for the bi-crystal films. The simulation results fitted well with the experimental data. A low-speed contact-recording spin-stand, which utilized a magnetoresistive head, was set up for recording studies on the oriented thin-film media and an isotropic thin-film medium prepared on a NiP/Al substrate. The readback signal from the MR head appeared to have some correlation with the medium anisotropy. The recorded patterns were imaged by magnetic force microscopy. It was found that erased bands formed on the quad-crystal and isotropic thin -film media. On the bi-crystal thin-film media, however, clear erased bands were not observed possibly due to the large head-disk distance.

  16. Evaluation of cognitive loads imposed by traditional paper-based and innovative computer-based instructional strategies.

    Science.gov (United States)

    Khalil, Mohammed K; Mansour, Mahmoud M; Wilhite, Dewey R

    2010-01-01

    Strategies of presenting instructional information affect the type of cognitive load imposed on the learner's working memory. Effective instruction reduces extraneous (ineffective) cognitive load and promotes germane (effective) cognitive load. Eighty first-year students from two veterinary schools completed a two-section questionnaire that evaluated their perspectives on the educational value of a computer-based instructional program. They compared the difference between cognitive loads imposed by paper-based and computer-based instructional strategies used to teach the anatomy of the canine skeleton. Section I included 17 closed-ended items, rated on a five-point Likert scale, that assessed the use of graphics, content, and the learning process. Section II included a nine-point mental effort rating scale to measure the level of difficulty of instruction; students were asked to indicate the amount of mental effort invested in the learning task using both paper-based and computer-based presentation formats. The closed-ended data were expressed as means and standard deviations. A paired t test with an alpha level of 0.05 was used to determine the overall mean difference between the two presentation formats. Students positively evaluated their experience with the computer-based instructional program with a mean score of 4.69 (SD=0.53) for use of graphics, 4.70 (SD=0.56) for instructional content, and 4.45 (SD=0.67) for the learning process. The mean difference of mental effort (1.50) between the two presentation formats was significant, t=8.26, p≤.0001, df=76, for two-tailed distribution. Consistent with cognitive load theory, innovative computer-based instructional strategies decrease extraneous cognitive load compared with traditional paper-based instructional strategies.

  17. Effectiveness of a Load-Imposing Device for Cyclic Stretching of Isolated Human Bronchi: A Validation Study

    Science.gov (United States)

    Le Guen, Morgan; Naline, Emmanuel; Grassin-Delyle, Stanislas; Devillier, Philippe; Faisy, Christophe

    2015-01-01

    Background Mechanical ventilation may induce harmful effects in the airways of critically ill patients. Nevertheless, the effects of cyclic stretching caused by repetitive inflation-deflation of the bronchial compartment have not been well characterized in humans. The objective of the present study was to assess the effectiveness of a load-imposing device for the cyclic stretching of human bronchi. Methods Intact bronchial segments were removed from 128 thoracic surgery patients. After preparation and equilibration in an organ bath, bronchi were stretched repetitively and cyclically with a motorized transducer. The peak force imposed on the bronchi was set to 80% of each individual maximum contraction in response to acetylcholine and the minimal force corresponded to the initial basal tone before stretching. A 1-min cycle (stretching for 15 sec, relaxing for 15 sec and resting for 30 sec) was applied over a time period ranging from 5 to 60 min. The device's performance level was assessed and the properties of the stretched bronchi were compared with those of paired, non-stretched bronchi. Results Despite the intrinsic capacities of the device, the targets of the tension adjustments remained variable for minimal tension (156–178%) while the peak force set point was unchanged (87–115%). In the stretched bronchi, a time-dependent rise in basal tone (P stretched) was apparent after as little as 5 min of cyclic stretching. The stretch-induced rise in basal tone continued to increase (P stretching had ended. Only 60 min of cyclic stretching was associated with a significant (P stretched bronchi. Conclusions Low-frequency, low-force, cyclic loading of human bronchi is associated with elevated basal tone and acetylcholine responsiveness. The present experimental model is likely to be a useful tool for future investigations of the bronchial response to repetitive stress during mechanical ventilation. PMID:26011598

  18. Imposed Hispanicity: How the Imposition of Racialized and Gendered Identities in Texas Affects Mexican Women in Romantic Relationships with White Men

    OpenAIRE

    2015-01-01

    Intimate, romantic spaces are important sites for the examination of self-identification and perceived identification, especially with regard to gender and racial power. In this article I examine how white men in romantic relationships or marriages with Mexican women and residing in Texas, impose “Hispanic” as a racial identity as a discursive tactic that reinforces the hegemonic power of being white and being a man in order to define the situation, impose ideals that distance Mexican partne...

  19. Cluster Analysis of Time-Dependent Crystallographic Data: Direct Identification of Time-Independent Structural Intermediates

    Science.gov (United States)

    Kostov, Konstantin S.; Moffat, Keith

    2011-01-01

    The initial output of a time-resolved macromolecular crystallography experiment is a time-dependent series of difference electron density maps that displays the time-dependent changes in underlying structure as a reaction progresses. The goal is to interpret such data in terms of a small number of crystallographically refinable, time-independent structures, each associated with a reaction intermediate; to establish the pathways and rate coefficients by which these intermediates interconvert; and thereby to elucidate a chemical kinetic mechanism. One strategy toward achieving this goal is to use cluster analysis, a statistical method that groups objects based on their similarity. If the difference electron density at a particular voxel in the time-dependent difference electron density (TDED) maps is sensitive to the presence of one and only one intermediate, then its temporal evolution will exactly parallel the concentration profile of that intermediate with time. The rationale is therefore to cluster voxels with respect to the shapes of their TDEDs, so that each group or cluster of voxels corresponds to one structural intermediate. Clusters of voxels whose TDEDs reflect the presence of two or more specific intermediates can also be identified. From such groupings one can then infer the number of intermediates, obtain their time-independent difference density characteristics, and refine the structure of each intermediate. We review the principles of cluster analysis and clustering algorithms in a crystallographic context, and describe the application of the method to simulated and experimental time-resolved crystallographic data for the photocycle of photoactive yellow protein. PMID:21244840

  20. Dissolution of quartz in aqueous basic solution, 106-236 C - Surface kinetics of 'perfect' crystallographic faces

    Science.gov (United States)

    Gratz, Andrew J.; Bird, Peter; Quiro, Glenn B.

    1990-01-01

    A highly accurate method, called the negative crystal method, for determining the rate of dissolution on specific crystallographic faces of crystals was developed, in which the dissolution rates of nominally perfect crystal faces are obtained by measuring the size of individual negative crystals during a sequence of dissolution steps. The method was applied to determine the apparent activation energy and rate constants for the dissolution of quartz in 0.01 M KOH solutions at temperatures from 106 to 236 C. Also investigated were the effects of hydroxyl activity and ionic strength. The apparent activation energies for the dissolution of the prism and of the rhomb were determined.

  1. phenix.model_vs_data: a high-level tool for the calculation of crystallographic model and data statistics.

    Science.gov (United States)

    Afonine, Pavel V; Grosse-Kunstleve, Ralf W; Chen, Vincent B; Headd, Jeffrey J; Moriarty, Nigel W; Richardson, Jane S; Richardson, David C; Urzhumtsev, Alexandre; Zwart, Peter H; Adams, Paul D

    2010-08-01

    phenix.model_vs_data is a high-level command-line tool for the computation of crystallographic model and data statistics, and the evaluation of the fit of the model to data. Analysis of all Protein Data Bank structures that have experimental data available shows that in most cases the reported statistics, in particular R factors, can be reproduced within a few percentage points. However, there are a number of outliers where the recomputed R values are significantly different from those originally reported. The reasons for these discrepancies are discussed.

  2. Crystallization and preliminary crystallographic studies of a cysteine protease inhibitor from the human nematode parasite Ascaris lumbricoides.

    Science.gov (United States)

    Liu, Sanling; Dong, Jianmei; Mei, Guoqiang; Liu, Guiyun; Xu, Wei; Su, Zhong; Liu, Jinsong

    2011-02-01

    The cysteine protease inhibitor from Ascaris lumbricoides, a roundworm that lives in the human intestine, may be involved in the suppression of human immune responses. Here, the molecular cloning, protein expression and purification, preliminary crystallization and crystallographic characterization of the cysteine protease inhibitor from A. lumbricoides are reported. The rod-shaped crystal belonged to space group C2, with unit-cell parameters a = 99.40, b = 37.52, c = 62.92 Å, β = 118.26°. The crystal diffracted to 2.1 Å resolution and contained two molecules in the asymmetric unit.

  3. Crystallographic analysis of the solid-state dewetting of polycrystalline gold film using automated indexing in a transmission electron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Jang, S. A.; Lee, H. J.; Oh, Y. J., E-mail: yjoh@hanbat.ac.kr [Department of Advanced Materials Science and Engineering, Hanbat National University, 125, Dongseo-daero, Yuseong-gu, Daejeon 305-719 (Korea, Republic of); Thompson, C. V.; Ross, C. A., E-mail: caross@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2015-12-01

    We analyzed the effect of crystallographic anisotropy on the morphological evolution of a 12-nm-thick gold film during solid-state dewetting at high temperatures using automated indexing tool in a transmission electron microscopy. Dewetting initiated at grain-boundary triple junctions adjacent to large grains resulting from abnormal grain growth driven by (111) texture development. Voids at the junctions developed shapes with faceted edges bounded by low-index crystal planes. The kinetic mobility of the edges varied with the crystal orientation normal to the edges, with a predominance of specific edges with the slowest retraction rates as the annealing time was increased.

  4. Novel GaN-based vertical heterostructure field effect transistor structures using crystallographic KOH etching and overgrowth

    Science.gov (United States)

    Qian, H.; Lee, K. B.; Vajargah, S. Hosseini; Novikov, S. V.; Guiney, I.; Zaidi, Z. H.; Jiang, S.; Wallis, D. J.; Foxon, C. T.; Humphreys, C. J.; Houston, P. A.

    2017-02-01

    A novel V-groove vertical heterostructure field effect transistor structure is proposed using semi-polar (11-22) GaN. A crystallographic potassium hydroxide self-limiting wet etching technique was developed to enable a damage-free V-groove etching process. An AlGaN/GaN HFET structure was successfully regrown by molecular beam epitaxy on the V-groove surface. A smooth AlGaN/GaN interface was achieved which is an essential requirement for the formation of a high mobility channel.

  5. Crystallographic information of intermediate phases in binary Mg–X (X=Sn, Y, Sc, Ag alloys

    Directory of Open Access Journals (Sweden)

    Dongyan Liu

    2015-09-01

    Full Text Available The compositions and structures of thermodynamically stable or metastable precipitations in binary Mg-X (X=Sn, Y, Sc, Ag alloys are predicted using ab-initio evolutionary algorithm. The geometry optimizations of the predicted intermetallic compounds are carried out in the framework of density functional theory (DFT [1]. A complete list of the optimized crystallographic information (in cif format of the predicted intermetallic phases is presented here. The data is related to “Predictions on the compositions, structures, and mechanical properties of intermediate phases in binary Mg–X (X=Sn, Y, Sc, Ag alloys” by Liu et al. [2].

  6. 4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate

    Directory of Open Access Journals (Sweden)

    Yuanlin Ren

    2012-03-01

    Full Text Available The asymmetric unit of the title compound, C13H20NO+·PF6−, contains two cations, one complete anion and two half hexafluorophosphate anions having crystallographically imposed twofold rotation symmetry. In the cations, the morpholine rings are in a chair conformation. In the crystal, ions are linked by weak C—H...F hydrogen bonds into a three-dimensional network.

  7. Crystallographic Analysis of Martensite in 0.2C-2.0Mn-1.5Si-0.6Cr Steel using EBSD

    Institute of Scientific and Technical Information of China (English)

    Pasi P. Suikkanen; Cyril Cayron; Anthony J. DeArdo; L Pentti Karjalainen

    2011-01-01

    The crystallography of martensite formed in 0.2C-2.0Mn-1,5Si-0.6Cr steel was studied using the electron backscattered diffraction (EBSD) technique. The results showed that the observed orientation relationship (OR) was closer to that of Nishiyama-Wassermann (N-W) than Kurdjumov-Sachs. The martensite consisted of parallel laths forming morphological packets. Typically, there were three different lath orientations in a morphological packet consisting of three specific N-W OR variants sharing the same {111} austenite plane. A packet of martensite laths with a common {111} austenite plane was termed a crystallographic packet. Generally, the crystallographic packet size corresponded to the morphological packet size, but occasionally the morphological packet was found to consist of two or more crystallographic packets. Therefore, the crystallographic packet size appeared to be finer than the morphological packet size. The relative orientation between the variants in crystallographic packets was found to be near 60°〈110〉, which explains the strong peak observed near 60° in the grain boundary misorientation distribution. Martensite also contained a high fraction of boundaries with a misorientation in the range 2.5-8°. Typically these boundaries were found to be located inside the martensite laths forming sub-laths.

  8. Chemical, crystallographic and stable isotopic properties of alunite and jarosite from acid-Hypersaline Australian lakes

    Science.gov (United States)

    Alpers, C.N.; Rye, R.O.; Nordstrom, D.K.; White, L.D.; King, B.-S.

    1992-01-01

    Chemical, crystallographic and isotopic analyses were made on samples containing alunite and jarosite from the sediments of four acid, hypersaline lakes in southeastern and southwestern Australia. The alunite and jarosite are K-rich with relatively low Na contents based on chemical analysis and determination of unit cell dimensions by powder X-ray diffraction. Correcting the chemical analyses of fine-grained mineral concentrates from Lake Tyrrell, Victoria, for the presence of halite, silica and poorly crystalline aluminosilicates, the following formulas indicate best estimates for solid-solution compositions: for alunite, K0.87Na0.04(H3O)0.09(Al 0.92Fe0.08)3(SO4)2(OH) 6 and for jarosite, K0.89Na0.07(H3O)0.04(Fe 0.80Al0.20)3(SO4)2(OH) 6. The ??D-values of alunite are notably larger than those for jarosite from Lake Tyrrell and it appears that the minerals have closely approached hydrogen isotope equilibrium with the acidic regional groundwaters. The ??D results are consistent with a fractionation ???60-70??? between alunite and jarosite observed in other areas. However, interpretation of ??D results is complicated by large variability in fluid ??DH2O from evaporation, mixing and possible ion hydration effects in the brine. ??D-values of water derived from jarosite by step-wise heating tend to be smaller at 250??C, at which temperature hydronium and other non-hydroxyl water is liberated, than at 550??C, where water is derived from the hydroxyl site, but the differences are not sufficiently different to invalidate measurements of total ??D obtained by conventional, single-step heating methods. ??34S-values for alunite and jarosite from the four lakes (+19.7 to +21.2??? CDT) and for aqueous sulfate from Lake Tyrrell (+18.3 to +19.8???) are close to the values for modern evaporites (+21.5 ??0.3???) and seawater (+20??0.5???) and are probably typical of seawater-derived aerosols in arid coastal environments. ??34-S-values slightly smaller than that for seawater may

  9. Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins.

    Science.gov (United States)

    Pang, Yuan-Ping

    2016-09-01

    Predicting crystallographic B-factors of a protein from a conventional molecular dynamics simulation is challenging, in part because the B-factors calculated through sampling the atomic positional fluctuations in a picosecond molecular dynamics simulation are unreliable, and the sampling of a longer simulation yields overly large root mean square deviations between calculated and experimental B-factors. This article reports improved B-factor prediction achieved by sampling the atomic positional fluctuations in multiple picosecond molecular dynamics simulations that use uniformly increased atomic masses by 100-fold to increase time resolution. Using the third immunoglobulin-binding domain of protein G, bovine pancreatic trypsin inhibitor, ubiquitin, and lysozyme as model systems, the B-factor root mean square deviations (mean ± standard error) of these proteins were 3.1 ± 0.2-9 ± 1 Å(2) for Cα and 7.3 ± 0.9-9.6 ± 0.2 Å(2) for Cγ, when the sampling was done for each of these proteins over 20 distinct, independent, and 50-picosecond high-mass molecular dynamics simulations with AMBER forcefield FF12MC or FF14SB. These results suggest that sampling the atomic positional fluctuations in multiple picosecond high-mass molecular dynamics simulations may be conducive to a priori prediction of crystallographic B-factors of a folded globular protein.

  10. Development of (1 0 0) crystallographic texture in magnetostrictive Fe-Ga wires using a modified Taylor wire method

    Energy Technology Data Exchange (ETDEWEB)

    Farrell, S P; Quigley, P E; Avery, K J [Defence R and D Canada-Atlantic, 9 Grove Street, Dartmouth, NS, B2Y 3Z7 (Canada); Hatchard, T D; Flynn, S E; Dunlap, R A, E-mail: shannonfarrell@drdc-rddc.gc.c [Department of Physics and Atmospheric Science, Dalhousie University, Halifax, NS, B3H 3J5 (Canada)

    2009-07-07

    Magnetostrictive Fe-Ga wires 1-3 mm in diameter have been prepared using an innovative cost-effective approach-based on the Taylor wire method-that couples the advantages of high-temperature directional solidification and selective grain growth. Strict control of drawing processes has been shown to enable the introduction of desirable texture that is critical for achieving large magnetostriction in these polycrystalline Fe-Ga alloys. The procedure for fabricating highly textured (1 0 0) magnetostrictive wires is discussed and the wires are evaluated in terms of microstructure and crystallographic texture. Magnetostriction measurements, in the absence of pre-stress and stress-annealing treatments, indicated a maximum magnetostriction of approx170 ppm in a saturation field less than 60 mT. A mechanism for texture evolution is proposed. It is speculated that the resultant (1 0 0) texture of the Fe-Ga wires is due to directional solidification and abnormal grain growth resulting from surface effects. The unique properties of wires made with the Taylor-based approach coupled with the low fabrication cost make this an attractive approach for the production of Fe-Ga wire with a specific crystallographic texture.

  11. On the effective inversion by imposing a priori infor-mation for retrieval of land surface parameters

    Institute of Scientific and Technical Information of China (English)

    WANG YanFei; MA ShiQian; YANG Hua; WANG JinDi; LI XiaoWen

    2009-01-01

    The anisotropy of the land surface can be best described by the bidirectional reflectance distribution function (BRDF). As the field of multiangular remote sensing advances, it is increasingly probable that BRDF models can be inverted to estimate the important biological or climatological parameters of the earth surface such as leaf area index and albedo. The state-of-the-art of BRDF is the use of the linear kernel-driven models, mathematically described as the linear combination of the isotropic kernel, volume scattering kernel and geometric optics kernel. The computational stability is characterized by the algebraic operator spectrum of the kernel-matrix and the observation errors. Therefore, the retrieval of the model coefficients is of great importance for computation of the land surface albedos. We first consider the smoothing solution method of the kernel-driven BRDF models for retrieval of land surface albedos. This is known as an ill-posed inverse problem. The ill-posedness arises from that the linear kernel driven BRDF model is usually underdetermined if there are too few looks or poor directional ranges, or the observations are highly dependent. For example, a single angular observation 05 lead to an under-determined system whose solution is infinite (the null space of the kernel operator contains nonzero vectors) or no solution (the rank of the coefficient matrix is not equal to the augmented matrix). Therefore, some smoothing or regularization technique should be applied to suppress the ill-posedness. So far, least squares error methods with a priori knowledge, QR decomposition method for inversion of the BRDF model and regularization theories for ill-posed inversion were developed. In this paper, we emphasize on imposing a priori information in different spaces. We first propose a gen-eral a priori imposed regularization model problem, and then address two forms of regularization scheme. The first one is a regularized singular value decomposition

  12. Aeromagnetic signatures reveal a back-arc basin imposed upon the inherited rifted margin of the East Antarctic craton

    Science.gov (United States)

    Armadillo, E.; Ferraccioli, F.; Jordan, T. A.; Bozzo, E.

    2009-12-01

    The Wilkes Subglacial Basin (WSB) represents a largely unexplored, approximately 1400 km-long and up to 600 km-wide subglacial depression, buried beneath the over 3 km-thick East Antarctic Ice Sheet. During the 2005-06 austral summer an extensive aerogeophysical survey was flown to investigate the WSB adjacent to northern Victoria Land (NVL), and included the acquisition of new airborne radar, aeromagnetic and aerogravity data. Several contrasting models for the origin of the basin have been previously proposed, and are based primarily on relatively sparse gravity data. These range from Cenozoic flexure, to distributed crustal extension of unknown age (possibly Mesozoic to Cenozoic), and even compression along the margin of craton. Our recent aeromagnetic data reveal that the basin is structurally controlled and has a tectonic origin, at least adjacent to NVL. The eastern margin of the basin is imposed upon an Early Paleozoic thrust fault belt, which can be traced under the ice using aeromagnetic signatures from exposures in Oates Land and the Ross Sea coast. Aeromagnetic patterns reveal that the western margin of the basin is imposed upon a Proterozoic-age shear zone mapped in the Mertz Glacier, and that is interpreted from geological studies to represent the continuation of a coeval shear zone in Australia. The broad aeromagnetic and satellite magnetic low over the WSB contrasts with the high over the un-reworked Proterozoic craton to the west of the basin, and is interpreted to reflect Neoproterozoic-age sediments deposited along the rifted margin of the craton. Magnetic intrusions within the WSB are interpreted as back-arc plutons that formed later in response to Cambrian-Ordovician age subduction along the paleo-Pacific margin of Gondwana. The aeromagnetic interpretation for a former broad back-arc basin in the WSB is supported by the occurrence of low-grade metasedimentary rocks of back-arc affinity in Oates Land, and also by the similarity in long

  13. ECOCLIMAP-II/Europe: a twofold database of ecosystems and surface parameters at 1 km resolution based on satellite information for use in land surface, meteorological and climate models

    Directory of Open Access Journals (Sweden)

    S. Faroux

    2013-04-01

    Full Text Available The overall objective of the present study is to introduce the new ECOCLIMAP-II database for Europe, which is an upgrade for this region of the former initiative, ECOCLIMAP-I, already implemented at global scale. The ECOCLIMAP programme is a dual database at 1 km resolution that includes an ecosystem classification and a coherent set of land surface parameters that are primarily mandatory in meteorological modelling (notably leaf area index and albedo. Hence, the aim of this innovative physiography is to enhance the quality of initialisation and impose some surface attributes within the scope of weather forecasting and climate related studies. The strategy for implementing ECOCLIMAP-II is to depart from prevalent land cover products such as CLC2000 (Corine Land Cover and GLC2000 (Global Land Cover by splitting existing classes into new classes that possess a better regional character by virtue of the climatic environment (latitude, proximity to the sea, topography. The leaf area index (LAI from MODIS and normalized difference vegetation index (NDVI from SPOT/Vegetation (a global monitoring system of vegetation yield the two proxy variables that were considered here in order to perform a multi-year trimmed analysis between 1999 and 2005 using the K-means method. Further, meteorological applications require each land cover type to appear as a partition of fractions of 4 main surface types or tiles (nature, water bodies, sea, urban areas and, inside the nature tile, fractions of 12 plant functional types (PFTs representing generic vegetation types – principally broadleaf forest, needleleaf forest, C3 and C4 crops, grassland and bare land – as incorporated by the SVAT model ISBA (Interactions Surface Biosphere Atmosphere developed at Météo France. This landscape division also forms the cornerstone of a validation exercise. The new ECOCLIMAP-II can be verified with auxiliary land cover products at very fine and coarse resolutions by means of

  14. Wnt/β-catenin signaling accelerates mouse lung tumorigenesis by imposing an embryonic distal progenitor phenotype on lung epithelium.

    Science.gov (United States)

    Pacheco-Pinedo, Eugenia C; Durham, Amy C; Stewart, Kathleen M; Goss, Ashley M; Lu, Min Min; Demayo, Francesco J; Morrisey, Edward E

    2011-05-01

    Although mutations in Kras are present in 21% of lung tumors, there is a high level of heterogeneity in phenotype and outcome among patients with lung cancer bearing similar mutations, suggesting that other pathways are important. Wnt/β-catenin signaling is a known oncogenic pathway that plays a well-defined role in colon and skin cancer; however, its role in lung cancer is unclear. We have shown here that activation of Wnt/β-catenin in the bronchiolar epithelium of the adult mouse lung does not itself promote tumor development. However, concurrent activation of Wnt/β-catenin signaling and expression of a constitutively active Kras mutant (KrasG12D) led to a dramatic increase in both overall tumor number and size compared with KrasG12D alone. Activation of Wnt/β-catenin signaling altered the KrasG12D tumor phenotype, resulting in a phenotypic switch from bronchiolar epithelium to the highly proliferative distal progenitors found in the embryonic lung. This was associated with decreased E-cadherin expression at the cell surface, which may underlie the increased metastasis of tumors with active Wnt/β-catenin signaling. Together, these data suggest that activation of Wnt/β-catenin signaling can combine with other oncogenic pathways in lung epithelium to produce a more aggressive tumor phenotype by imposing an embryonic distal progenitor phenotype and by decreasing E-cadherin expression.

  15. Lower-limb amputee ankle and hip kinetic response to an imposed error in mediolateral foot placement.

    Science.gov (United States)

    Segal, Ava D; Shofer, Jane B; Klute, Glenn K

    2015-11-26

    Maintaining balance while walking is challenging for lower limb amputees. The effect of prosthetic foot stiffness on recovery kinetics from an error in foot placement may inform prescription practice and lead to new interventions designed to improve balance. Ten unilateral transtibial amputees were fit with two prosthetic feet with different stiffness properties in random order. After a 3-week acclimation period, they returned to the lab for testing before switching feet. Twelve non-amputees also participated in a single data collection. While walking on an instrumented treadmill, we imposed a repeatable, unexpected medial or lateral disturbance in foot placement by releasing a burst of air at the ankle just before heel strike. Three-dimensional motion capture, ground reaction force and center of pressure (COP) data were collected for two steps prior, the disturbed step and three steps after the disturbance. During undisturbed walking, coronal ankle impulse was lower by 42% for amputees wearing a stiff compared to a compliant foot (p=0.017); however, across steps, both prosthetic recovery patterns were similar compared to the sound limb and non-amputees. Peak coronal hip moment was 15-20% lower for both foot types during undisturbed walking (pamputees. Amputee prosthetic COP excursion was unaffected by the disturbance (2.4% change) compared to the sound limb (59% change; pamputees (55% change; pamputees.

  16. PP2A(Cdc55) Phosphatase Imposes Ordered Cell-Cycle Phosphorylation by Opposing Threonine Phosphorylation.

    Science.gov (United States)

    Godfrey, Molly; Touati, Sandra A; Kataria, Meghna; Jones, Andrew; Snijders, Ambrosius P; Uhlmann, Frank

    2017-02-02

    In the quantitative model of cell-cycle control, progression from G1 through S phase and into mitosis is ordered by thresholds of increasing cyclin-dependent kinase (Cdk) activity. How such thresholds are read out by substrates that respond with the correct phosphorylation timing is not known. Here, using the budding yeast model, we show that the abundant PP2A(Cdc55) phosphatase counteracts Cdk phosphorylation during interphase and delays phosphorylation of late Cdk substrates. PP2A(Cdc55) specifically counteracts phosphorylation on threonine residues, and consequently, we find that threonine-directed phosphorylation occurs late in the cell cycle. Furthermore, the late phosphorylation of a model substrate, Ndd1, depends on threonine identity of its Cdk target sites. Our results support a model in which Cdk-counteracting phosphatases contribute to cell-cycle ordering by imposing Cdk thresholds. They also unveil a regulatory principle based on the phosphoacceptor amino acid, which is likely to apply to signaling pathways beyond cell-cycle control. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

  17. An Autoregulatory Mechanism Imposes Allosteric Control on the V(DJ Recombinase by Histone H3 Methylation

    Directory of Open Access Journals (Sweden)

    Chao Lu

    2015-01-01

    Full Text Available V(DJ recombination is initiated by a specialized transposase consisting of the subunits RAG-1 and RAG-2. The susceptibility of gene segments to DNA cleavage by the V(DJ recombinase is correlated with epigenetic modifications characteristic of active chromatin, including trimethylation of histone H3 on lysine 4 (H3K4me3. Engagement of H3K4me3 by a plant homeodomain (PHD in RAG-2 promotes recombination in vivo and stimulates DNA cleavage by RAG in vitro. We now show that H3K4me3 acts allosterically at the PHD finger to relieve autoinhibition imposed by a separate domain within RAG-2. Disruption of this autoinhibitory domain was associated with constitutive increases in recombination frequency, DNA cleavage activity, substrate binding affinity, and catalytic rate, thus mimicking the stimulatory effects of H3K4me3. Our observations support a model in which allosteric control of RAG is enforced by an autoinhibitory domain whose action is relieved by engagement of active chromatin.

  18. El Gobierno de la República en el exilio : crónica de un imposible retorno

    Directory of Open Access Journals (Sweden)

    Xavier Flores

    2001-01-01

    Full Text Available El triunfo de los aliados en la Segunda Guena Mundial hizo que los republicanos españoles exiliados en 1939 concibiesen esperanzas de un inmediato retomo de la República a su país con el apoyo aliado. Con esta idea se reconstituyeron las instituciones de la República Española en el exilio en México D. R, en agosto de 1945. En este artículo se analiza el proceso de esa reconstitución y los sucesivos gobiernos que se sucedieron hasta la disolución de las instituciones en junio de 1977, después de un imposible retorno.The victory of the salles in the Second World war did that the Spanish republicans exiled in 1939 were conceiving hopes ofan immediate return ofthe Republic to his(its country with the allied support. With this idea there were re-constituted the institutions of the Spanish Republic in the exile in México D.F., in August, 1945. In this article there are analyzed the process of this reconstitution and the successive governments that happened up to the dissolution of the institutions in June, 1977, afíer impossible I come back.

  19. Simulations of symcap and layered NIF experiments with top/bottom laser asymmetry to impose P1 drive on capsules

    Science.gov (United States)

    Eder, D.; Spears, B.; Casey, D.; Pak, A.; Ma, T.; Izumi, N.; Pollock, B.; Weber, C.; Kritcher, A.; Jones, O.; Milovich, J.; Town, R.; Robey, H.; Hinkel, D.; Callahan, D.; Hatchett, S.; Knauer, J.; Yeamans, C.; Bleuel, D.; Nagel, S.; Hatarik, R.; Khan, S.; Sayre, D.; Caggiano, J.; Grim, G.; Eckart, M.; Fittinghoff, D.; Merrill, F.; Bradley, D.

    2016-05-01

    Integrated hohlraum/capsule post-shot simulation of the first full-scale cryogenic layered-DT experiment with top/bottom laser asymmetries of 8% is discussed. The imposed P1 Legendre mode drive on the capsule results in downward velocity of 85 ± 15 km/s as measured by neutron time of flight (NTOF) diagnostics and x-ray imagers, which is in excellent agreement with the calculated velocity of 87 km/s. The measured DT yield is approximately 30% less than the average of two comparable shots using the same 4 shock HiFoot pulse shape without drive asymmetry. The calculated DT yield of 5.0e15 is very close to the measured value of 4.86e15 for the shot with drive asymmetry, which implies that P1 effects dominate yield reduction. The neutron activation diagnostics (NADs) give clear indication of higher areal density in the direction of the north pole in excellent agreement with calculations. Integrated post-shot simulation of an earlier symcap (capsule with appropriate ablator thicknesses to act as a surrogate for an ignition capsule) experiment with laser asymmetries show that calculated neutron-wighted velocity is a strong function of capsule shape.

  20. Contact transmission of influenza virus between ferrets imposes a looser bottleneck than respiratory droplet transmission allowing propagation of antiviral resistance

    Science.gov (United States)

    Frise, Rebecca; Bradley, Konrad; van Doremalen, Neeltje; Galiano, Monica; Elderfield, Ruth A.; Stilwell, Peter; Ashcroft, Jonathan W.; Fernandez-Alonso, Mirian; Miah, Shahjahan; Lackenby, Angie; Roberts, Kim L.; Donnelly, Christl A.; Barclay, Wendy S.

    2016-01-01

    Influenza viruses cause annual seasonal epidemics and occasional pandemics. It is important to elucidate the stringency of bottlenecks during transmission to shed light on mechanisms that underlie the evolution and propagation of antigenic drift, host range switching or drug resistance. The virus spreads between people by different routes, including through the air in droplets and aerosols, and by direct contact. By housing ferrets under different conditions, it is possible to mimic various routes of transmission. Here, we inoculated donor animals with a mixture of two viruses whose genomes differed by one or two reverse engineered synonymous mutations, and measured the transmission of the mixture to exposed sentinel animals. Transmission through the air imposed a tight bottleneck since most recipient animals became infected by only one virus. In contrast, a direct contact transmission chain propagated a mixture of viruses suggesting the dose transferred by this route was higher. From animals with a mixed infection of viruses that were resistant and sensitive to the antiviral drug oseltamivir, resistance was propagated through contact transmission but not by air. These data imply that transmission events with a looser bottleneck can propagate minority variants and may be an important route for influenza evolution. PMID:27430528

  1. Perceptual and Cognitive Factors Imposing "Speed Limits" on Reading Rate: A Study with the Rapid Serial Visual Presentation.

    Science.gov (United States)

    Primativo, Silvia; Spinelli, Donatella; Zoccolotti, Pierluigi; De Luca, Maria; Martelli, Marialuisa

    2016-01-01

    Adults read at high speed, but estimates of their reading rate vary greatly, i.e., from 100 to 1500 words per minute (wpm). This discrepancy is likely due to different recording methods and to the different perceptual and cognitive processes involved in specific test conditions. The present study investigated the origins of these notable differences in RSVP reading rate (RR). In six experiments we investigated the role of many different perceptual and cognitive variables. The presence of a mask caused a steep decline in reading rate, with an estimated masking cost of about 200 wpm. When the decoding process was isolated, RR approached values of 1200 wpm. When the number of stimuli exceeded the short-term memory span, RR decreased to 800 wpm. The semantic context contributed to reading speed only by a factor of 1.4. Finally, eye movements imposed an upper limit on RR (around 300 wpm). Overall, data indicate a speed limit of 300 wpm, which corresponds to the time needed for eye movement execution, i.e., the most time consuming mechanism. Results reconcile differences in reading rates reported by different laboratories and thus provide suggestions for targeting different components of reading rate.

  2. Imposed Hispanicity: How the Imposition of Racialized and Gendered Identities in Texas Affects Mexican Women in Romantic Relationships with White Men

    Directory of Open Access Journals (Sweden)

    Jennifer C. Guillén

    2015-11-01

    Full Text Available Intimate, romantic spaces are important sites for the examination of self-identification and perceived identification, especially with regard to gender and racial power. In this article I examine how white men in romantic relationships or marriages with Mexican women and residing in Texas, impose “Hispanic” as a racial identity as a discursive tactic that reinforces the hegemonic power of being white and being a man in order to define the situation, impose ideals that distance Mexican partners from being “too ethnic” or “threatening” in order to achieve closer proximity to “honorary whiteness” and acceptability of racial others, and creates a romantic space that is coercive instead of loving and safe. This study thus finds that white men used their hegemony to not only employ imposed Hispanicity, which I define as an institutionally created but culturally and institutionally imposed label, and an action based on the use of direct and indirect coercion and force by others, in this case, white romantic partners, for the purpose of establishing power and determining the situation in which racial definitions are made. Therefore, “Hispanic” becomes an identity that is chosen by others and while participants of Mexican descent do employ agency, the socially imposed conditions and expectations associated with “Hispanic” serve to police the identities, bodies, lives, and actions of people of Latin American descent.

  3. Effect of day-night cycle on distribution of food intake and economic choice among imposed food opportunities in mice.

    Science.gov (United States)

    Minaya, Dulce M; Rowland, Neil E; Robertson, Kimberly L

    2016-10-01

    We have shown previously that mice given access to four discrete feeding opportunities (FOs) per day show a characteristic sequence of sizes across ordinal FOs. The purpose of the present experiments was to determine the relative contributions of external and internal factors on the sequencing of FO size. The external factors were the light:dark Zeitgeber and the cost of food, imposed via different fixed unit prices (FUP) in a closed operant economy, and the internal factors were signals relating to energy status including time since last food and weight loss. In the first experiment, mice were given 4 FOs spaced 4-h apart, but with the timing of the FOs relative to the Zeitgeber altered by a 4-h Zeitgeber advance or delay of the cycle. Food intake, and associated body weight, declined as price increased, but the temporal order of FO size was invariant within a Zeitgeber condition. The Zeitgeber advanced group showed clear evidence of a shift in meal sequence relating to the light:dark cycle. Thus, external factors seem to be a more important determinant of total intake and sequencing than internal factors. In the second experiment, mice were given the choice between continuous costly (CC) and intermittent inexpensive (II) food. II food was available for four-15min intervals every 4-h, and the timing of the 15min intervals was varied relative to the Zeitgeber cycle. In spite of a 20-fold difference in price between CC and II food, mice took approximately equal amounts from each, and all food intake took place during the dark phase. Mice consumed II food only if it was available during the dark phase. Food intake was strongly linked to the light:dark cycle, largely independent of food cost. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Time-imposed daily restricted feeding induces rhythmic expression of Fgf21 in white adipose tissue of mice.

    Science.gov (United States)

    Oishi, Katsutaka; Konishi, Morichika; Murata, Yusuke; Itoh, Nobuyuki

    2011-08-26

    Fibroblast growth factor 21 (FGF21) is a key metabolic regulator that is induced by fasting and starvation, and its expression is thought to be regulated by the circadian clock in the liver. To evaluate the functional role of FGF21 in the circadian regulation of physiology and behavior, we examined the temporal expression profiles of Fgf21 and circadian clock genes in addition to behavioral activity rhythms under adlibitum feeding (ALF) and time-imposed restricted feeding (RF) in mice. Four hours of daily restricted feeding during the daytime induced over an 80-fold increase in feeding-dependent rhythmic Fgf21 mRNA expression in epididymal white adipose tissue (eWAT), although the expression levels were continuously increased 10-fold in the liver of wild-type (WT) mice. Refeeding subsequent to transient fasting revealed that refeeding but not fasting remarkably induces Fgf21 expression in eWAT, although fasting-induced hepatic Fgf21 expression is completely reversed by refeeding. The free-running period of locomotor activity rhythm under ALF and the food anticipatory activity (FAA) under RF remained intact in Fgf21 knockout (KO) mice, suggesting that FGF21 is dispensable for both the central clock in the suprachiasmatic nucleus (SCN) and the food-entrainable oscillator that governs the FAA. Temporal expression profiles of circadian genes such as mPer2 and BMAL1 were essentially identical in both tissues between WT and Fgf21 KO mice under RF. The physiological role of the refeeding-induced adipose Fgf21 expression remains to be elucidated. Copyright © 2011 Elsevier Inc. All rights reserved.

  5. Perturbation of pharmacologically relevant polyphenolic compounds in Moringa oleifera against photo-oxidative damages imposed by gamma radiation.

    Science.gov (United States)

    Ramabulana, T; Mavunda, R D; Steenkamp, P A; Piater, L A; Dubery, I A; Madala, N E

    2016-03-01

    Oxidative stress is a physiological state associated with almost all biotic and abiotic stresses in plants. This phenomenon occurs due to imbalances which result from the overproduction of reactive oxygen species (ROS). Plants, however, have developed sophisticated mechanisms to mitigate the effect of ROS. In this regard, plant polyphenolic metabolites such as flavonoids are known to possess high antioxidant activities. In the current study, changes in the levels of phenolic compounds from Moringa oleifera after gamma radiation treatment were investigated with reverse phase liquid chromatography and mass spectrometric techniques in combination with multivariate data models such as principal component analysis and orthogonal projection to latent structures discriminant analysis. Our results revealed several polyphenolic compounds such as hydroxycinnamoyl derivatives and flavonoid molecules to be down-regulated post-radiation treatment. Interestingly, other flavonoid molecules were found to be up-regulated post-radiation treatment, thereby suggesting a possible compensatory phenomenon. The existence and involvement of structurally similar metabolites (such as regio-isomers of chlorogenic acids) in M. oleifera towards mitigating photo-oxidative damages are in support of the proposed evolutionary existence of a large pool of polyphenolics which contribute to the state of readiness, aptly described as a "better safe than sorry" phenomenon. Our study thus reaffirms the involvement of phenolic compounds as a first line of constitutive/preformed protection against oxidative stress. Furthermore, the obtained data supports M. oleifera as a source of versatile and pharmacologically relevant metabolites that may be exploited for ameliorating the oxidative damages imposed by several metabolic disorders in humans.

  6. Hardware-Based Simulation of a Fuel Cell Turbine Hybrid Response to Imposed Fuel Cell Load Transients

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T.P. (Georgia Inst. of Technology); Tucker, D.A.; Haynes, C.L. (Georgia Inst. of Technology); Liese, E.A.; Wepfer, W.J. (Georgia Inst. of Technology)

    2006-11-01

    Electrical load transients imposed on the cell stack of a solid oxide fuel cell/gas turbine hybrid power system are studied using the Hybrid Performance (HyPer) project. The hardware simulation facility is located at the U.S. Department of Energy, National Energy Technology Laboratory (NETL). A computational fuel cell model capable of operating in real time is integrated with operating gas turbine hardware. The thermal output of a modeled 350 kW solid oxide fuel cell stack is replicated in the facility by a natural gas fired burner in a direct fired hybrid configuration. Pressure vessels are used to represent a fuel cell stack's cathode flow and post combustion volume and flow impedance. This hardware is used to simulate the fuel cell stack and is incorporated with a modified turbine, compressor, and 120 kW generator on a single shaft. For this study, a simulation was started with a simulated current demand of 307 A on the fuel cell at approximately 0.75 V and an actual 45 kW electrical load on the gas turbine. An open loop response, allowing the turbine rotational speed to respond to thermal transients, was successfully evaluated for a 5% current reduction on the fuel cell followed by a 5% current increase. The impact of the fuel cell load change on system process variables is presented. The test results demonstrate the capabilities of the hardware-in-the-loop simulation approach in evaluating hybrid fuel cell turbine dynamics and performance.

  7. Avian top predator and the landscape of fear: responses of mammalian mesopredators to risk imposed by the golden eagle.

    Science.gov (United States)

    Lyly, Mari S; Villers, Alexandre; Koivisto, Elina; Helle, Pekka; Ollila, Tuomo; Korpimäki, Erkki

    2015-01-01

    Top predators may induce extensive cascading effects on lower trophic levels, for example, through intraguild predation (IGP). The impacts of both mammalian and avian top predators on species of the same class have been extensively studied, but the effects of the latter upon mammalian mesopredators are not yet as well known. We examined the impact of the predation risk imposed by a large avian predator, the golden eagle (Aquila chrysaetos, L.), on its potential mammalian mesopredator prey, the red fox (Vulpes vulpes, L.), and the pine marten (Martes martes, L.). The study combined 23 years of countrywide data from nesting records of eagles and wildlife track counts of mesopredators in Finland, northern Europe. The predation risk of the golden eagle was modeled as a function of territory density, density of fledglings produced, and distance to nearest active eagle territory, with the expectation that a high predation risk would reduce the abundances of smaller sized pine martens in particular. Red foxes appeared not to suffer from eagle predation, being in fact most numerous close to eagle nests and in areas with more eagle territories. This is likely due to similar prey preferences of the two predators and the larger size of foxes enabling them to escape eagle predation risk. Somewhat contrary to our prediction, the abundance of pine martens increased from low to intermediate territory density and at close proximity to eagle nests, possibly because of similar habitat preferences of martens and eagles. We found a slightly decreasing trend of marten abundance at high territory density, which could indicate that the response in marten populations is dependent on eagle density. However, more research is needed to better establish whether mesopredators are intimidated or predated by golden eagles, and whether such effects could in turn cascade to lower trophic levels, benefitting herbivorous species.

  8. Purification, crystallization and preliminary crystallographic studies of a Kunitz-type proteinase inhibitor from tamarind (Tamarindus indica) seeds.

    Science.gov (United States)

    Patil, Dipak N; Chaudhry, Anshul; Sharma, Ashwani K; Tomar, Shailly; Kumar, Pravindra

    2009-07-01

    A Kunitz-type proteinase inhibitor has been purified from tamarind (Tamarindus indica) seeds. SDS-PAGE analysis of a purified sample showed a homogeneous band corresponding to a molecular weight of 21 kDa. The protein was identified as a Kunitz-type proteinase inhibitor based on N-terminal amino-acid sequence analysis. It was crystallized by the vapour-diffusion method using PEG 6000. The crystals belonged to the orthorhombic space group C222(1), with unit-cell parameters a = 37.2, b = 77.1, c = 129.1 A. Diffraction data were collected to a resolution of 2.7 A. Preliminary crystallographic analysis indicated the presence of one proteinase inhibitor molecule in the asymmetric unit, with a solvent content of 44%.

  9. Expression, purification and preliminary crystallographic analysis of a haem-utilizing protein, HutX, from Vibrio cholerae

    Science.gov (United States)

    Su, Tiantian; Chi, Kaikai; Wang, Kang; Guo, Liming; Huang, Yan

    2015-01-01

    Vibrio cholerae, the causative agent of cholera, has developed a variety of mechanisms to obtain the limited-availability iron from human hosts. One important method for iron acquisition is through haem-uptake systems. Although the transport of haem has been widely studied, the fate of haem once it enters the cytoplasm remains an open question. Here, preliminary X-ray crystallographic analysis was performed on HutX, a member of the conserved haem-utilization operon from V. cholerae strain N16961. The crystals of HutX were found to belong to the orthorhombic space group C2221, with unit-cell parameters a = 50.1, b = 169.0, c = 81.8 Å. There are two protein molecules in the asymmetric unit, with a corresponding Matthews coefficient V M of 2.06 Å3 Da−1 and a solvent content of 40.28%. PMID:25664785

  10. Coupling of bias-induced crystallographic shear planes with charged domain walls in ferroelectric oxide thin films

    Science.gov (United States)

    Han, Myung-Geun; Garlow, Joseph A.; Bugnet, Matthieu; Divilov, Simon; Marshall, Matthew S. J.; Wu, Lijun; Dawber, Matthew; Fernandez-Serra, Marivi; Botton, Gianluigi A.; Cheong, Sang-Wook; Walker, Frederick J.; Ahn, Charles H.; Zhu, Yimei

    2016-09-01

    Polar discontinuity at interfaces plays deterministic roles in charge transport, magnetism, and even superconductivity of functional oxides. To date, most polar discontinuity problems have been explored in heterointerfaces between two dissimilar materials. Here, we show that charged domain walls (CDWs) in epitaxial thin films of ferroelectric PbZ r0.2T i0.8O3 are strongly coupled to polar interfaces through the formation of 1/2 {h 0 l } - type crystallographic shear planes (CSPs). Using atomic resolution imaging and spectroscopy we illustrate that the CSPs consist of both conservative and nonconservative segments when coupled to the CDWs where necessary compensating charges for stabilizing the CDWs are associated with vacancies at the CSPs. The CDW/CSP coupling yields an atomically narrow domain wall, consisting of a single atomic layer of oxygen. This study shows that the CDW/CSP coupling is a fascinating venue to develop emergent material properties.

  11. Mechanical Properties, Microstructure and Crystallographic Texture of Magnesium AZ91-D Alloy Welded by Friction Stir Welding (FSW)

    Science.gov (United States)

    Kouadri-Henni, A.; Barrallier, L.

    2014-10-01

    The objective of the study was to characterize the properties of a magnesium alloy welded by friction stir welding. The results led to a better understanding of the relationship between this process and the microstructure and anisotropic properties of alloy materials. Welding principally leads to a large reduction in grain size in welded zones due to the phenomenon of dynamic recrystallization. The most remarkable observation was that crystallographic textures appeared from a base metal without texture in two zones: the thermo-mechanically affected and stir-welded zones. The latter zone has the peculiarity of possessing a marked texture with two components on the basal plane and the pyramidal plane. These characteristics disappeared in the thermo-mechanically affected zone (TMAZ), which had only one component following the basal plane. These modifications have been explained by the nature of the plastic deformation in these zones, which occurs at a moderate temperature in the TMAZ and high temperature in the SWZ.

  12. Crystallographic features related to a van der Waals coupling in the layered chalcogenide FePS3

    Science.gov (United States)

    Murayama, Chisato; Okabe, Momoko; Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Isobe, Masahiko; Yamamoto, Kazuo; Matsushita, Yoshitaka

    2016-10-01

    We investigated the crystallographic structure of FePS3 with a layered structure using transmission electron microscopy and powder X-ray diffraction. We found that FePS3 forms a rotational twin structure with the common axis along the c*-axis. The high-resolution transmission electron microscopy images revealed that the twin boundaries were positioned at the van der Waals gaps between the layers. The narrow bands of dark contrast were observed in the bright-field transmission electron microscopy images below the antiferromagnetic transition temperature, TN ≈ 120 K. Low-temperature X-ray diffraction showed a lattice distortion; the a- and b-axes shortened and lengthened, respectively, as the temperature decreased below TN. We propose that the narrow bands of dark contrast observed in the bright-field transmission electron microscopy images are caused by the directional lattice distortion with respect to each micro-twin variant in the antiferromagnetic phase.

  13. Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor.

    Science.gov (United States)

    Coumar, Mohane Selvaraj; Tsai, Ming-Tsung; Chu, Chang-Ying; Uang, Biing-Jiun; Lin, Wen-Hsing; Chang, Chun-Yu; Chang, Teng-Yuan; Leou, Jiun-Shyang; Teng, Chi-Huang; Wu, Jian-Sung; Fang, Ming-Yu; Chen, Chun-Hwa; Hsu, John T-A; Wu, Su-Ying; Chao, Yu-Sheng; Hsieh, Hsing-Pang

    2010-02-01

    Herein we reveal a simple method for the identification of novel Aurora kinase A inhibitors through substructure searching of an in-house compound library to select compounds for testing. A hydrazone fragment conferring Aurora kinase activity and heterocyclic rings most frequently reported in kinase inhibitors were used as substructure queries to filter the in-house compound library collection prior to testing. Five new series of Aurora kinase inhibitors were identified through this strategy, with IC(50) values ranging from approximately 300 nM to approximately 15 microM, by testing only 133 compounds from a database of approximately 125,000 compounds. Structure-activity relationship studies and X-ray co-crystallographic analysis of the most potent compound, a furanopyrimidine derivative with an IC(50) value of 309 nM toward Aurora kinase A, were carried out. The knowledge gained through these studies could help in the future design of potent Aurora kinase inhibitors.

  14. Discovery of Pyrrolopyridine−Pyridone Based Inhibitors of Met Kinase: Synthesis, X-ray Crystallographic Analysis, and Biological Activities

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyoung Soon; Zhang, Liping; Schmidt, Robert; Cai, Zhen-Wei; Wei, Donna; Williams, David K.; Lombardo, Louis J.; Trainor, George L.; Xie, Dianlin; Zhang, Yaquan; An, Yongmi; Sack, John S.; Tokarski, John S.; Darienzo, Celia; Kamath, Amrita; Marathe, Punit; Zhang, Yueping; Lippy, Jonathan; Jeyaseelan, Sr., Robert; Wautlet, Barri; Henley, Benjamin; Gullo-Brown, Johnni; Manne, Veeraswamy; Hunt, John T.; Fargnoli, Joseph; Borzilleri, Robert M. (BMS)

    2008-10-02

    Conformationally constrained 2-pyridone analogue 2 is a potent Met kinase inhibitor with an IC50 value of 1.8 nM. Further SAR of the 2-pyridone based inhibitors of Met kinase led to potent 4-pyridone and pyridine N-oxide inhibitors such as 3 and 4. The X-ray crystallographic data of the inhibitor 2 bound to the ATP binding site of Met kinase protein provided insight into the binding modes of these inhibitors, and the SAR of this series of analogues was rationalized. Many of these analogues showed potent antiproliferative activities against the Met dependent GTL-16 gastric carcinoma cell line. Compound 2 also inhibited Flt-3 and VEGFR-2 kinases with IC{sub 50} values of 4 and 27 nM, respectively. It possesses a favorable pharmacokinetic profile in mice and demonstrates significant in vivo antitumor activity in the GTL-16 human gastric carcinoma xenograft model.

  15. Crystallographic and functional analyses of J-domain of JAC1 essential for chloroplast photorelocation movement in Arabidopsis thaliana.

    Science.gov (United States)

    Takano, Akira; Suetsugu, Noriyuki; Wada, Masamitsu; Kohda, Daisuke

    2010-08-01

    An auxilin-like J-domain-containing protein, JAC1, is necessary for chloroplast movement in Arabidopsis thaliana, to capture photosynthetic light efficiently under weak light conditions. Here, we performed crystallographic and functional analyses of the J-domain of JAC1. The crystal structure of the J-domain is quite similar to that of bovine auxilin, and possesses a similar positively charged surface, which probably forms the interface with the Hsp70 chaperone. The mutation of the highly conserved HPD motif of the JAC1 J-domain abrogated the chloroplast photorelocation response. These results suggest that the requirement of JAC1 in chloroplast photorelocation movement is attributable to the J-domain's cochaperone activity.

  16. The Effect of Excess Carbon on the Crystallographic, Microstructural, and Mechanical Properties of CVD Silicon Carbide Fibers

    Energy Technology Data Exchange (ETDEWEB)

    Marzik, J V; Croft, W J; Staples, R J; MoberlyChan, W J

    2006-12-05

    Silicon carbide (SiC) fibers made by chemical vapor deposition (CVD) are of interest for organic, ceramic, and metal matrix composite materials due their high strength, high elastic modulus, and retention of mechanical properties at elevated processing and operating temperatures. The properties of SCS-6{trademark} silicon carbide fibers, which are made by a commercial process and consist largely of stoichiometric SiC, were compared with an experimental carbon-rich CVD SiC fiber, to which excess carbon was added during the CVD process. The concentration, homogeneity, and distribution of carbon were measured using energy dispersive x-ray spectroscopy (SEM/EDS). The effect of excess carbon on the tensile strength, elastic modulus, and the crystallographic and microstructural properties of CVD silicon carbide fibers was investigated using tensile testing, x-ray diffraction, scanning electron microscopy (SEM), and transmission electron microscopy (TEM).

  17. Angular distribution of the emission from ultrarelativistic electrons moving near crystallographic axes in diamond and tungsten crystals

    Energy Technology Data Exchange (ETDEWEB)

    Aleinik, A.N.; Vorobev, S.A.; Kalinin, B.N.; Kurkov, A.A.; Potylitsyn, A.P.

    1986-07-01

    Data on the angular distribution of the emission from ultrarelativistic electrons moving near crystallographic axes in diamond and tungsten crystals are reviewed. A graph is presented of the orientational dependence of soft gamma rays measured by a thin-walled ionization chamber sensitive to gamma rays with energies greater than 0.3 MeV and a radiative loss measured by a total-absorption Gauss quantometer with a threshold of about 5 MeV at an angle to the primary electron-beam direction of motion. It is concluded that knowledge of the scattering processes of ultrarelativistic electrons near crytal axes makes it easier to choose the optimum type and thickness of a crystal to achieve the maximum yield of gamma radiation into a given solid angle. 8 references.

  18. Crystallographic investigation of aluminium nitride thin films on stainless steel foil for highly efficient piezoelectric vibration energy harvesters

    Science.gov (United States)

    Moriwaki, N.; Minh, L. V.; Ohigashi, R.; Shimada, O.; Kitayoshi, H.; Kuwano, H.

    2016-11-01

    This study reports piezoelectric properties and crystallographic microstructures of aluminium nitride (AlN, wurtzite structure) thin films on 50 μm thick stainless steel foil. The transverse piezoelectric coefficient d31f and e31f of 10 pm thick AlN films were estimated as -1.42 ± 0.08 μm/V and -0.48 ± 0.03 C/m2 from a tip displacement of the piezoelectric cantilevers. Dielectric constant s33 was measured as 10.5 ± 1.0. An electron beam diffraction pattern by a high-resolution transmission electron microscope and x-ray diffraction pattern showed that abundance ratio of the orientation such as , and of AlN crystal on stainless steel foils increased with increasing thickness.

  19. Electrical properties of NiAs-type MnTe films with preferred crystallographic plane of (110)

    Energy Technology Data Exchange (ETDEWEB)

    Yang, L.; Wang, Z. H., E-mail: zhwang@imr.ac.cn; Zhang, Z. D. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

    2016-01-28

    NiAs-type manganese telluride (MnTe) films with preferred crystallographic plane of (110) were prepared on Si/SiO{sub 2} substrates by pulsed laser deposition. X-ray diffraction (XRD) of the films was studied at different temperatures. The XRD peak of MnTe (110) films shifts to higher angle with decreasing temperature, showing the decrease of the lattice parameter. Resistivity of the films was studied in the temperature range of 2–350 K. The bump between 150 and 250 K was observed in the films, which may be related to the special s-d and p-d overlaps induced by the compressed lattice. The magnon drag effect near its Néel temperature T{sub N} and enlarged magnetic-elastic coupling below 100 K were observed and analyzed in details.

  20. Synthesis, crystallographic characterization and electrochemical property of a copper(II) complex of the anticancer agent elesclomol.

    Science.gov (United States)

    Vo, Nha Huu; Xia, Zhiqiang; Hanko, Jason; Yun, Tong; Bloom, Steve; Shen, Jianhua; Koya, Keizo; Sun, Lijun; Chen, Shoujun

    2014-01-01

    Elesclomol is a novel anticancer agent that has been evaluated in a number of late stage clinical trials. A new and convenient synthesis of elesclomol and its copper complex is described. X-ray crystallographic characterization and the electrochemical properties of the elesclomol copper(II) complex are discussed. The copper(II) cation is coordinated in a highly distorted square-planar geometry to each of the sulphur and amide nitrogen atoms of elesclomol. Electrochemical measurements demonstrate that the complex undergoes a reversible one-electron reduction at biologically accessible potentials. In contrast the free elesclomol is found electrochemically inactive. This evidence is in strong support of the mechanism of action we proposed for the anticancer activity of elesclomol.

  1. Crystallographic origin of perpendicular magnetic anisotropy in CoPt film: polarized x-ray absorption study

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, K [National University of Singapore; Chen, J [National University of Singapore; Liu, T [Oak Ridge National Laboratory (ORNL); Sun, C [Singapore Synchrotron Light Source; Chow, G [National University of Singapore

    2009-01-01

    Crystallographic structure, growth induced miscibility gap and strain in Ta/Co100 xPtx (0 x 43 at%)/Ru/Ta/glass films deposited at ambient temperature were investigated using polarized x-ray absorption spectroscopy to clarify the origin of observed perpendicular magnetic anisotropy (PMA) in Co72Pt28 film. Extended x-ray absorption fine structure spectroscopy data at Co K-edge showed that Co has a similar local atomic environment and averaged interatomic distance in the in-plane and out-of-plane polarization geometries for Co72Pt28, ruling out the contribution of magneto-elastic anisotropy and growth induced structural anisotropy as the origin of PMA. A large PMA in Co72Pt28 film was attributed to the preferred hexagonal close-packed stacking as observed using the x-ray absorption near-edge structure spectroscopy.

  2. Formation of Fast-Spread Ocean Crust : Crystallographic Preferred Orientations From a Reference Lower Crust Section in the Oman Ophiolite

    Science.gov (United States)

    Ildefonse, B.; Mueller, T.; Mock, D.; Koepke, J.

    2016-12-01

    About 20 years ago, two competing models were proposed for the formation of the lower, gabbroic crust at fast-spreading ridges. The lower crust is either formed by downward flow of mushy material from the shallow axial melt lens (gabbro glacier), or by sill intrusions (sheeted sills). To further test these end-member models, we characterized the vertical distribution of Crystallographic Preferred Orientations (CPO) in Wadi Gideah gabbro section (Sumail ophiolite, Sultanate Oman), using the Electron Backscattered Diffraction (EBSD) technique. CPO were measured on 67 gabbro samples, documenting a 5 km thick section, with an average interval of 80 m between samples. EBSD data sets were processed using MTEX, a free Matlab toolbox. Average misorientation in grains (angle between each pixel orientation and mean orientation of the grain) is very low ( 0.25°). This is consistent with magmatic flow in these rocks, and the paucity of crystal-plastic overprint. The strength (J index) of plagioclase CPO increases down-section, with a more pronounced variability in the layered gabbros. For clinopyroxene, the difference between upper (foliated) and lower (layered) gabbros is stronger, with low J in upper gabbros, and higher and more variable J in lower gabbros. In upper gabbros the symmetry of plagioclase and clinopyroxene CPO progressively evolves downward to progressively more oblate. Continuing down-section, the trend reverses, with progressively more prolate CPO in lower gabbros. The crystallographic fabric variability in the lower crust section calls for distinct formation mechanisms in the upper and lower gabbros. It is consistent with a hybrid model for crustal formation (Boudier et al., 1996, doi:10.1016/0012-821X(96)00167-7). The genesis of the upper foliated gabbro can be at least partly explained by the gabbro glacier model, while the continuous emplacement of sheeted sills at various depths is a more plausible model for the lower layered gabbro section.

  3. Erbium-ion implantation into various crystallographic cuts of Al{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Nekvindova, P. [Department of Inorganic Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Mackova, A.; Malinsky, P. [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic v.v.i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J.E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Cajzl, J.; Svecova, B. [Department of Inorganic Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Oswald, J. [Institute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Cukrovarnicka 10, 162 53 Prague (Czech Republic); Wilhelm, R.A. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Technische Universität Dresden, 01062 Dresden (Germany)

    2015-12-15

    This paper reports on the importance of crystallographic cuts with a different orientation on the luminescent properties and structural changes of Al{sub 2}O{sub 3} implanted with Er{sup +} ions at 190 keV and with a fluence of 1.0 × 10{sup 16} cm{sup −2}. Post-implantation annealing at 1000 °C in oxygen atmosphere was also done. The chemical compositions and erbium concentration-depth profiles of implanted layers were studied by Rutherford Backscattering Spectrometry (RBS) and compared to SRIM simulations. The same value of the maximum erbium concentration (up to 2 at.%) was observed at a depth of about 40 nm for all crystallographic cuts. The structural properties of the prepared layers were characterised by RBS/channelling. The relative amount of disordered atoms of 70–80% was observed in the prepared implanted layers and discussed for various cuts. It has been found that erbium is positioned randomly in the Al{sub 2}O{sub 3} crystalline matrix, and no preferential positions appeared even after the annealing procedure. Erbium luminescence properties were measured in the wavelength range of 1440–1650 nm for all samples. As-implanted Al{sub 2}O{sub 3} samples had a significant luminescence band at 1530 nm. The best luminescence was repeatedly observed in the 〈0 0 0 1〉 cut of Al{sub 2}O{sub 3}. The annealing procedure significantly improved the luminescent properties.

  4. A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.

    Science.gov (United States)

    Koh, Cho Yeow; Siddaramaiah, Latha Kallur; Ranade, Ranae M; Nguyen, Jasmine; Jian, Tengyue; Zhang, Zhongsheng; Gillespie, J Robert; Buckner, Frederick S; Verlinde, Christophe L M J; Fan, Erkang; Hol, Wim G J

    2015-08-01

    American trypanosomiasis, commonly known as Chagas disease, is a neglected tropical disease caused by the protozoan parasite Trypanosoma cruzi. The chronic form of the infection often causes debilitating morbidity and mortality. However, the current treatment for the disease is typically inadequate owing to drug toxicity and poor efficacy, necessitating a continual effort to discover and develop new antiparasitic therapeutic agents. The structure of T. cruzi histidyl-tRNA synthetase (HisRS), a validated drug target, has previously been reported. Based on this structure and those of human cytosolic HisRS, opportunities for the development of specific inhibitors were identified. Here, efforts are reported to identify small molecules that bind to T. cruzi HisRS through fragment-based crystallographic screening in order to arrive at chemical starting points for the development of specific inhibitors. T. cruzi HisRS was soaked into 68 different cocktails from the Medical Structural Genomics of Pathogenic Protozoa (MSGPP) fragment library and diffraction data were collected to identify bound fragments after soaking. A total of 15 fragments were identified, all bound to the same site on the protein, revealing a fragment-binding hotspot adjacent to the ATP-binding pocket. On the basis of the initial hits, the design of reactive fragments targeting the hotspot which would be simultaneously covalently linked to a cysteine residue present only in trypanosomatid HisRS was initiated. Inhibition of T. cruzi HisRS was observed with the resultant reactive fragments and the anticipated binding mode was confirmed crystallographically. These results form a platform for the development of future generations of selective inhibitors for trypanosomatid HisRS.

  5. Similar quartz crystallographic textures in rocks of continental earth's crust (by neutron diffraction data): II. Quartz textures in monophase rocks

    Energy Technology Data Exchange (ETDEWEB)

    Nikitin, A. N., E-mail: nikitin@nf.jinr.ru; Ivankina, T. I. [Joint Institute for Nuclear Research (Russian Federation); Ullemeyer, K. [Universitaet Kiel, Institut fuer Geowissenschaften (Germany); Vasin, R. N. [Joint Institute for Nuclear Research (Russian Federation)

    2008-09-15

    The types of quartz textures found in a large collection of multiphase rocks from different regions of the earth are analyzed. Crystallographic textures of granulite, amphibolite, slate, and gneiss samples are measured, classified, and compared with the similar textures of monomineral rocks.

  6. Software developments in automated structure solution and crystallographic studies of the Sso10a2 and human C1 inhibitor protein

    NARCIS (Netherlands)

    Waterreus, Willem-Jan

    2013-01-01

    CRANK is a suite that links different macromolecular X-ray crystallographic programs to solve macromolecular crystal structures automatically from experimental phasing data. In chapter 2, several new algorithms implemented within CRANK increase the robustness and speed of the structure solution proc

  7. Crystallographic dependent in-situ CBr4 selective nano-area etching and local regrowth of InP/InGaAs by MOVPE

    DEFF Research Database (Denmark)

    Kuznetsova, Nadezda; Kulkova, Irina; Semenova, Elizaveta;

    2014-01-01

    Selective area etching and growth in the metalorganic vapor phase epitaxy (MOVPE) reactor on nano-scale structures have been examined. Using different mask orientations, crystallographic dependent etching of InP can be observed when carbon tetrabromide (CBr4) is used as an etchant. Scanning Elect...

  8. Crystallographic Analysis of Isothermally Transformed Bainite in 0.2C-2.0Mn-1.5Si-0.6Cr Steel Using EBSD

    Institute of Scientific and Technical Information of China (English)

    Pasi P.Suikkanen; Cyril Cayron; Anthony J.DeArdo; L.Pentti Karjalainen

    2013-01-01

    The crystallography of bainite,transformed isothermally at 450 ℃ in 0.2C-2.0Mn-1.5Si-O.6Cr steel,was investigated by electron backscatter diffraction (EBSD) analysis.The orientation relationship (OR) was found to be closer to Nishiyama-Wassermann (N-W) than Kurdjumov-Sachs orientation relationship.Bainite microstructure consisted of parallel laths forming a morphological packet structure.Typically,there were three different lath orientations in a morphological packet.These orientations were dictated by a three specific N-W OR variants sharing the same {111} austenite plane.A packet of bainite laths with common {111}austenite plane was termed as crystallographic packet.Generally,the crystallographic packet size corresponded to the morphological packet size.Locally,crystallographic packets with only two dominant orientations were observed.This indicates strong local variant selection during isothermal bainite transformation.The relative orientation between the variants in crystallographic packets was found to be near 60°/<110>.This appears to explain the strong peak observed in the grain boundary misorientation distribution near 60°.Bainite also contained pronounced fraction of boundaries with their misorientation in the range of 2.5°-8° with quite widely dispersed rotation angles.Spatially these boundaries were found to locate inside the bainite laths,forming lath-like sub-grains.

  9. Thermodynamics of Condensed Phases: Formula Unit Volume, "V[subscript m]", and the Determination of the Number of Formula Units, "Z", in a Crystallographic Unit Cell

    Science.gov (United States)

    Glasser, Leslie

    2011-01-01

    Formula unit (or molecular) volume, "V[subscript m]", is related to many thermodynamic and physical properties of materials, so that knowledge of "V[subscript m]" is useful in prediction of such properties for known and even hypothetical materials. The symbol "Z" represents the number of formula units in a crystallographic unit cell; "Z" thus…

  10. Crystallization and preliminary crystallographic analysis of Gre2p, an NADP(+)-dependent alcohol dehydrogenase from Saccharomyces cerevisiae.

    Science.gov (United States)

    Breicha, Klaus; Müller, Marion; Hummel, Werner; Niefind, Karsten

    2010-07-01

    Gre2p [Genes de respuesta a estres (stress-response gene)] from Saccharomyces cerevisiae is a monomeric enzyme of 342 amino acids with a molecular weight of 38.1 kDa. The enzyme catalyses both the stereospecific reduction of keto compounds and the oxidation of various hydroxy compounds and alcohols by the simultaneous consumption of the cofactor NADPH and formation of NADP(+). Crystals of a Gre2p complex with NADP(+) were grown using PEG 8000 as a precipitant. They belong to the monoclinic space group P2(1). The current diffraction resolution is 3.2 A. In spite of the monomeric nature of Gre2p in solution, packing and self-rotation calculations revealed the existence of two Gre2p protomers per asymmetric unit related by a twofold noncrystallographic axis.

  11. The disciplined healthcare professional: a qualitative interview study on the impact of the disciplinary process and imposed measures in the Netherlands

    NARCIS (Netherlands)

    Verhoef, L.M.; Weenink, J.W.; Winters, S.; Robben, P.B.; Westert, G.P.; Kool, R.B.

    2015-01-01

    OBJECTIVE: It is known that doctors who receive complaints may have feelings of anger, guilt, shame and depression, both in the short and in the long term. This might lead to functional impairment. Less is known about the impact of the disciplinary process and imposed measures. Previous studies of d

  12. Pre-power-stroke cross-bridges contribute to force transients during imposed shortening in isolated muscle fibers.

    Directory of Open Access Journals (Sweden)

    Fabio C Minozzo

    Full Text Available When skeletal muscles are activated and mechanically shortened, the force that is produced by the muscle fibers decreases in two phases, marked by two changes in slope (P₁ and P₂ that happen at specific lengths (L₁ and L₂. We tested the hypothesis that these force transients are determined by the amount of myosin cross-bridges attached to actin and by changes in cross-bridge strain due to a changing fraction of cross-bridges in the pre-power-stroke state. Three separate experiments were performed, using skinned muscle fibers that were isolated and subsequently (i activated at different Ca²⁺ concentrations (pCa²⁺ 4.5, 5.0, 5.5, 6.0 (n = 13, (ii activated in the presence of blebbistatin (n = 16, and (iii activated in the presence of blebbistatin at varying velocities (n = 5. In all experiments, a ramp shortening was imposed (amplitude 10%L₀, velocity 1 L₀•sarcomere length (SL•s⁻¹, from an initial SL of 2.5 µm (except by the third group, in which velocities ranged from 0.125 to 2.0 L₀•s⁻¹. The values of P₁, P₂, L₁, and L₂ did not change with Ca²⁺ concentrations. Blebbistatin decreased P₁, and it did not alter P₂, L₁, and L₂. We developed a mathematical cross-bridge model comprising a load-dependent power-stroke transition and a pre-power-stroke cross-bridge state. The P₁ and P₂ critical points as well as the critical lengths L₁ and L₂ were explained qualitatively by the model, and the effects of blebbistatin inhibition on P₁ were also predicted. Furthermore, the results of the model suggest that the mechanism by which blebbistatin inhibits force is by interfering with the closing of the myosin upper binding cleft, biasing cross-bridges into a pre-power-stroke state.

  13. Pre-power-stroke cross-bridges contribute to force transients during imposed shortening in isolated muscle fibers.

    Science.gov (United States)

    Minozzo, Fabio C; Hilbert, Lennart; Rassier, Dilson E

    2012-01-01

    When skeletal muscles are activated and mechanically shortened, the force that is produced by the muscle fibers decreases in two phases, marked by two changes in slope (P₁ and P₂) that happen at specific lengths (L₁ and L₂). We tested the hypothesis that these force transients are determined by the amount of myosin cross-bridges attached to actin and by changes in cross-bridge strain due to a changing fraction of cross-bridges in the pre-power-stroke state. Three separate experiments were performed, using skinned muscle fibers that were isolated and subsequently (i) activated at different Ca²⁺ concentrations (pCa²⁺ 4.5, 5.0, 5.5, 6.0) (n = 13), (ii) activated in the presence of blebbistatin (n = 16), and (iii) activated in the presence of blebbistatin at varying velocities (n = 5). In all experiments, a ramp shortening was imposed (amplitude 10%L₀, velocity 1 L₀•sarcomere length (SL)•s⁻¹), from an initial SL of 2.5 µm (except by the third group, in which velocities ranged from 0.125 to 2.0 L₀•s⁻¹). The values of P₁, P₂, L₁, and L₂ did not change with Ca²⁺ concentrations. Blebbistatin decreased P₁, and it did not alter P₂, L₁, and L₂. We developed a mathematical cross-bridge model comprising a load-dependent power-stroke transition and a pre-power-stroke cross-bridge state. The P₁ and P₂ critical points as well as the critical lengths L₁ and L₂ were explained qualitatively by the model, and the effects of blebbistatin inhibition on P₁ were also predicted. Furthermore, the results of the model suggest that the mechanism by which blebbistatin inhibits force is by interfering with the closing of the myosin upper binding cleft, biasing cross-bridges into a pre-power-stroke state.

  14. Simulating magnetic nanoparticle behavior in low-field MRI under transverse rotating fields and imposed fluid flow

    Science.gov (United States)

    Cantillon-Murphy, P.; Wald, L. L.; Adalsteinsson, E.; Zahn, M.

    2010-09-01

    transverse rotating magnetic field in the presence of B0 are investigated to demonstrate the effect of Ω, the rotating field frequency, and the magnetic field amplitude on the fluid suspension magnetization. The transverse magnetization due to the rotating transverse field shows strong dependence on the characteristic time constant of the fluid suspension, τ. The analysis shows that as the rotating field frequency increases so that Ωτ approaches unity, the transverse fluid magnetization vector is significantly non-aligned with the applied rotating field and the magnetization's magnitude is a strong function of the field frequency. In this frequency range, the fluid's transverse magnetization is controlled by the applied field which is determined by the operator. The phenomenon, which is due to the physical rotation of the magnetic nanoparticles in the suspension, is demonstrated analytically when the nanoparticles are present in high concentrations (1-3% solid volume fractions) more typical of hyperthermia rather than in clinical imaging applications, and in low MRI field strengths (such as open MRI systems), where the magnetic nanoparticles are not magnetically saturated. The effect of imposed Poiseuille flow in a planar channel geometry and changing nanoparticle concentration is examined. The work represents the first known attempt to analyze the dynamic behavior of magnetic nanoparticles in the MRI environment including the effects of the magnetic nanoparticle spin-velocity. It is shown that the magnitude of the transverse magnetization is a strong function of the rotating transverse field frequency. Interactive fluid magnetization effects are predicted due to non-uniform fluid magnetization in planar Poiseuille flow with high nanoparticle concentrations.

  15. THE HEGEMONY IMPOSED BY THE GOVERNMENT AND THE RESISTANCE OF WETU TELU SASAKNESE ETHNIC GROUP AT BAYAN DISTRICT, NORTH LOMBOK REGENCY

    Directory of Open Access Journals (Sweden)

    I Wayan Wirata

    2012-11-01

    Full Text Available This research is entitled “The Hegemony Imposed by the Government and theResistance of Wetu Telu Sasaknese Ethnic Group at Bayan District, North Lombok”.The interaction between the government and the Wetu Telu Sasaknese community atBayan District has resulted in differences in views, ideas, and behaviors leading tofriction and refusal or opposition from the community.This research is focused on 1 how has the hegemony imposed by thegovernment upon the Wetu Telu Sasaknese Ethnic Group residing at Bayan District,North Lombok Regency taken place? 2 what has been done by the people of the WetuTelu Sasaknese Ethnic Group residing at Bayan Distrik, North Lombok to resist to thehegemony imposed by the government upon them? and 3 what are the effects andmeanings of the hegemony imposed by the government and the resistance of the WetuTelu Sasaknese Ethnic Group on the multicultural community life at Bayan District,North Lombok Regency?The data needed were collected by interview, observation, and documentationand were descriptively, qualitatively and interpretatively analyzed. The theories used togive answers to the problems formulated above are the theory of hegemony (Gramsci,the theory of deconstruction (Jacques Derrida, and the theory of discourse (Foucault.The results show that the hegemony imposed by the government has taken placein a number of particular aspects such as the religious aspect, socio political aspect,cultural aspect and educational aspect. Being marginalized and being not free indeveloping their tradition and culture, the people of Wetu Telu Sasaknese Ethnic Groupresiding at Bayan District, North Lombok Regency, have been responsible for theirresistance to the government and the followers Islam Waktu Lima. The resistance hasbeen shown by avoiding, refusing and even opposing what is considered not inaccordance with their tradition and culture.One of the effects of the hegemony imposed by the government and theresistance made by the

  16. Microscopic, crystallographic and adherence properties of plasma-sprayed calcium phosphate coatings on Ti-6Al-4V

    Science.gov (United States)

    Tufekci, Eser

    Recently, plasma-spayed titanium implants have become very popular in the dentistry because of their biocompatibility and ability of providing osseointegration with the surrounding bone. Although there are numerous published studies on these materials, information and standards are still lacking. This study investigated the miscrostructural, crystallographic and adherence properties of plasma-sprayed hydroxyapatite coatings on Ti-6Al-4V substrates. The microstructures of the coatings and the elemental interdiffusion near the coating/substrate interface were investigated using a scanning electron microscope (SEM) equipped with x-ray energy-dispersive spectroscopy (EDS). X-ray diffraction analyses performed on Ti-6Al-4V coupons prepared with different percent crystallinities have provided structural information such as degree of crystallinity, phases present, average crystallite size, as well as the residual stresses within the coating. For evaluation of the adherence of the coatings to the substrates, experimental rods were subjected to torsion. The fracture surfaces were analyzed using SEM/EDS to develop a new methodology to determine the percent adherence of the coatings. SEM studies indicated that the surface microstructures of commercial dental implants were consistent with the plasma-spraying. In cross-section, coatings exhibited minimal porosity and limited interdiffusion of titanium and calcium at the coating/substrate interface. X-ray diffraction analyses indicated that the highest crystallinity coatings consisted of almost entirely HA and an amorphous calcium phosphate phase. As the coating crystallinity decreased, increasing amounts of alpha- and beta-tricalcium phosphate and tetracalcium phosphate were detected. The mean percent crystallinity for the three sets of coatings ranged from 50-60%. The mean HA crystallite size for the three sets of coatings ranged from about 0.02-0.04 mum. Differences in mean interplanar spacings for three selected

  17. Crystallographic Fabrics, Grain Boundary Microstructure and Shape Preferred Orientation of Deformed Banded Iron Formations and their Significance for Deformation Interpretation

    Science.gov (United States)

    Ávila, Carlos Fernando; Graça, Leonardo; Lagoeiro, Leonardo; Ferreira, Filippe

    2016-04-01

    The characterization of grain boundaries and shapes along with crystallographic preferred orientations (CPOs) are a key aspect of investigations of rock microstructures for their correlation with deformation mechanisms. Rapid developments have occurred in the studying rock microstructures due to recent improvements in analytical techniques such as Electron Backscatter Diffraction (EBSD). EBSD technique allows quick automated microtextural characteritzation. The deformed banded iron formations (BIFs) occurring in the Quadrilátero Ferrífero (QF) province in Brazil have been studied extensively with EBSD. All studies have focused mainly in CPOs. The general agreement is that dislocation creep was the dominant process of deformation, for the strong c-axis fabric of hematite crystals. This idea is substantiated by viscoplastic self-consistent models for deformation of hematite. However there are limitations to analyzing natural CPOs alone, or those generated by deformation models. The strong c-axis fabric could be taken as equally powerful an evidence for other known deformation mechanisms. Some grain boundary types in BIFs of the QF are irregular and comprise equant grains in granoblastic texture (Figure 1a). CPOs for this kind are strong and consistent with a predominance of dislocation creep. Others are very regular and long parallel to basal planes of hematites forming large elongated crystals (lepidoblastic texture, Figure 1b). Such crystals are called specularite, and their formation has been previously attributed to dislocation creep. This is erroneous because of the high strains which would be required. Their shape must be due to anisotropic grain growth. Other types lie between the above end-textures. Both types of grain shape microstructures have the same core deformation mechanism. Describing their genetic differences is crucial, since specularite owe its shape to anisotropic grain growth. It is not possible yet to confirm that dislocation creep was the

  18. Incentives to retire imposed by old-age pension policy in Estonia. Eesti vanaduspensionipoliitika mõjud pensionilejäämise ajenditele

    Directory of Open Access Journals (Sweden)

    Mikk Medijainen

    2012-01-01

    Full Text Available The paper analyses the incentives that Estonian state pension scheme imposes on retirement incentives. The specific focus is on actuarial neutrality and benefit equivalence of adjustments for early and late reitrement.The benefit adjustments for early and deferred retirement set in current legislation are established as not actuarially neutral and they do not assure benefit equivalence. They impose an incentive to postpone retirement for too long – assuming rational behaviour the effective retirement ages should be way above statutory retirement age if current legislation is not amended. Assuming a real discount rate of 3%, the rational effective retirement ages would lie at 70 in 2016 and 72 in 2026. Not legislating benefit adjustments that assure benefit equivalence could bring along adverse effects, such as higher than expected replacement rates and thereby higher than expected overall costs.

  19. A critical role of nucleus accumbens dopamine D1-family receptors in renewal of alcohol seeking after punishment-imposed abstinence.

    Science.gov (United States)

    Marchant, Nathan J; Kaganovsky, Konstantin

    2015-06-01

    In humans, places or contexts previously associated with alcohol use often provoke relapse during abstinence. This phenomenon is modeled in laboratory animals using the ABA renewal procedure, in which extinction training in context (B) suppresses alcohol seeking, and renewal of this seeking occurs when the animal returns to the original training context (A). However, extinction training does not adequately capture the motivation for abstinence in human alcoholics who typically self-initiate abstinence in response to the negative consequences of excessive use. We recently developed a procedure to study renewal in laboratory rats after abstinence imposed by negative consequences (footshock punishment). The mechanisms of renewal of punished alcohol seeking are largely unknown. Here, we used the D1-family receptor antagonist SCH 23390 to examine the role of nucleus accumbens (NAc) shell and core dopamine in renewal of alcohol seeking after punishment-imposed abstinence. We trained alcohol-preferring "P rats" to self-administer 20% alcohol in Context A and subsequently suppressed alcohol taking via response-contingent footshock punishment in Context B. We tested the effects of systemic, NAc shell, or NAc core injections of SCH 23390 on renewal of alcohol seeking after punishment-imposed abstinence. We found that both systemic and NAc shell and core injections of SCH 23390 decreased renewal of punished alcohol seeking. Our results demonstrate a critical role of NAc dopamine in renewal of alcohol seeking after punishment-imposed abstinence. We discuss these results in reference to the brain mechanisms of renewal of alcohol seeking after extinction versus punishment.

  20. Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry.

    Science.gov (United States)

    Mörschel, Philipp; Schmidt, Martin U

    2015-01-01

    A crystallographic quantum-mechanical/molecular-mechanical model (c-QM/MM model) with full space-group symmetry has been developed for molecular crystals. The lattice energy was calculated by quantum-mechanical methods for short-range interactions and force-field methods for long-range interactions. The quantum-mechanical calculations covered the interactions within the molecule and the interactions of a reference molecule with each of the surrounding 12-15 molecules. The interactions with all other molecules were treated by force-field methods. In each optimization step the energies in the QM and MM shells were calculated separately as single-point energies; after adding both energy contributions, the crystal structure (including the lattice parameters) was optimized accordingly. The space-group symmetry was maintained throughout. Crystal structures with more than one molecule per asymmetric unit, e.g. structures with Z' = 2, hydrates and solvates, have been optimized as well. Test calculations with different quantum-mechanical methods on nine small organic molecules revealed that the density functional theory methods with dispersion correction using the B97-D functional with 6-31G* basis set in combination with the DREIDING force field reproduced the experimental crystal structures with good accuracy. Subsequently the c-QM/MM method was applied to nine compounds from the CCDC blind tests resulting in good energy rankings and excellent geometric accuracies.

  1. Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.

    Science.gov (United States)

    Irimia, Adriana; Sarkar, Anita; Stanfield, Robyn L; Wilson, Ian A

    2016-01-19

    Numerous studies of the anti-HIV-1 envelope glycoprotein 41 (gp41) broadly neutralizing antibody 4E10 suggest that 4E10 also interacts with membrane lipids, but the antibody regions contacting lipids and its orientation with respect to the viral membrane are unknown. Vaccine immunogens capable of re-eliciting these membrane proximal external region (MPER)-like antibodies may require a lipid component to be successful. We performed a systematic crystallographic study of lipid binding to 4E10 to identify lipids bound by the antibody and the lipid-interacting regions. We identified phosphatidic acid, phosphatidylglycerol, and glycerol phosphate as specific ligands for 4E10 in the crystal structures. 4E10 used its CDRH1 loop to bind the lipid head groups, while its CDRH3 interacted with the hydrophobic lipid tails. Identification of the lipid binding sites on 4E10 may aid design of immunogens for vaccines that include a lipid component in addition to the MPER on gp41 for generation of broadly neutralizing antibodies.

  2. Enzyme transient state kinetics in crystal and solution from the perspective of a time-resolved crystallographer.

    Science.gov (United States)

    Schmidt, Marius; Saldin, Dilano K

    2014-03-01

    With recent technological advances at synchrotrons [Graber et al., J. Synchrotron Radiat. 18, 658-670 (2011)], it is feasible to rapidly collect time-resolved crystallographic data at multiple temperature settings [Schmidt et al., Acta Crystallogr. D 69, 2534-2542 (2013)], from which barriers of activation can be extracted. With the advent of fourth generation X-ray sources, new opportunities emerge to investigate structure and dynamics of biological macromolecules in real time [M. Schmidt, Adv. Condens. Matter Phys. 2013, 1-10] in crystals and potentially from single molecules in random orientation in solution [Poon et al., Adv. Condens. Matter Phys. 2013, 750371]. Kinetic data from time-resolved experiments on short time-scales must be interpreted in terms of chemical kinetics [Steinfeld et al., Chemical Kinetics and Dynamics, 2nd ed. (Prentience Hall, 1985)] and tied to existing time-resolved experiments on longer time-scales [Schmidt et al., Acta Crystallogr. D 69, 2534-2542 (2013); Jung et al., Nat. Chem. 5, 212-220 (2013)]. With this article, we will review and outline steps that are required to routinely determine the energetics of reactions in biomolecules in crystal and solution with newest X-ray sources. In eight sections, we aim to describe concepts and experimental details that may help to inspire new approaches to collect and interpret these data.

  3. Crystallographic characterization of the radixin FERM domain bound to the cytoplasmic tail of adhesion molecule CD44

    Energy Technology Data Exchange (ETDEWEB)

    Mori, Tomoyuki; Kitano, Ken; Terawaki, Shin-ichi; Maesaki, Ryoko; Hakoshima, Toshio, E-mail: hakosima@bs.naist.jp [Structural Biology Laboratory, Nara Institute of Science and Technology, Keihanna Science City, Nara 630-0192 (Japan)

    2007-10-01

    The radixin FERM domain complexed with the CD44 cytoplasmic tail peptide has been crystallized. A diffraction data set from the complex was collected to 2.1 Å. CD44 is an important adhesion molecule that specifically binds hyaluronic acid and regulates cell–cell and cell–matrix interactions. Increasing evidence has indicated that CD44 is assembled in a regulated manner into the membrane–cytoskeletal junction, a process that is mediated by ERM (ezrin/radixin/moesin) proteins. Crystals of a complex between the radixin FERM domain and the C-terminal cytoplasmic region of CD44 have been obtained. The crystal of the radixin FERM domain bound to the CD44 cytoplasmic tail peptide belongs to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 62.70, b = 66.18, c = 86.22 Å, and contain one complex in the crystallographic asymmetric unit. An intensity data set was collected to a resolution of 2.1 Å.

  4. Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.

    Science.gov (United States)

    Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano

    2016-05-01

    The 1:1 molar reactions of NbOX3 with SnBu3H, in toluene at 0 °C in the presence of oxygen/nitrogen donors, resulted in the formation of NbOX2L2 (X = Cl, L2 = dme, 2a; X = Br, L2 = dme, 2b; X = Cl, L = thf, 2c; X = Cl, L = NCMe, 2d; dme = 1,2-dimethoxyethane, thf = tetrahydrofuran), in good yields. The 1:2 reactions of freshly prepared 2d and 2b with the bulky NHC ligands 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene, Imes, and 1,3-bis(2,6-dimethylphenyl)imidazol-2-ylidene, Ixyl, respectively, afforded the complexes NbOCl2(Imes)2, 3, and NbOBr2(Ixyl)2, 4, in 50-60% yields. The reactions of 2b with NaOR, in tetrahydrofuran, gave NbOCl(OR) (R = Ph, 5; R = Me, 6) in about 60% yields. All the products were characterized by analytical and spectroscopic techniques; moreover DFT calculations were carried out in order to shed light on synthetic and structural features. Compounds 3 and 4, whose molecular structures have been ascertained by X-ray diffraction, represent very rare examples of crystallographically characterized niobium-NHC systems.

  5. The SecB-like chaperone Rv1957 from Mycobacterium tuberculosis: crystallization and X-ray crystallographic analysis.

    Science.gov (United States)

    Lu, Zuokun; Wang, Han; Yu, TingTing

    2016-06-01

    Protein export is important in all bacteria, and bacteria have evolved specialized export machineries to fulfil this task. In Mycobacterium tuberculosis, the causative agent of tuberculosis, the general secretion pathway (Sec pathway) is conserved and is essential in performing the export of proteins. The bacterial Sec pathway post-translationally exports unfolded proteins out of the cytoplasm, and the core of the Sec pathway is composed of a heterotrimeric membrane-embedded channel, SecYEG, and two cytosolic components, SecA and SecB. SecB functions by stabilizing unfolded proteins, maintaining them in an export-competent state. Although SecB is mainly found in Proteobacteria, a SecB-like protein, Rv1957, that controls a stress-response toxin-antitoxin system, is found in M. tuberculosis. Rv1957 can also functionally replace the Escherichia coli SecB chaperone both in vivo and in vitro. In this work, the production, crystallization and X-ray crystallographic analysis of Rv1957 are reported. Notably, diffraction-quality crystals were obtained only at high concentrations of dimethyl sulfoxide, i.e. about 12%(v/v). The crystals of Rv1957 belonged to space group P212121, with unit-cell parameters a = 64.5, b = 92.0, c = 115.4 Å.

  6. Purification, crystallization and preliminary X-ray crystallographic analysis of the CIDE-N domain of Fsp27.

    Science.gov (United States)

    Wang, Xiaodan; Zhang, Bo; Xu, Duo; Gao, Jinlan; Wang, Linfang; Wang, Zhi; Shan, Yaming; Yu, Xianghui

    2012-12-01

    Fsp27, a member of the CIDE protein family which is selectively expressed in adipocytes, has emerged as a novel regulator for unilocular lipid droplet (LD) formation, lipid metabolism, differentiation of adipocytes and insulin sensitivity. An LD is a subcellular compartment that is used by adipocytes for the efficient storage of fats. The CIDE-N domain of Fsp27 functions as a recruitment platform that induces the correct configuration of the Fsp27 CIDE-C domain to facilitate LD fusion. This study reports the high-yield expression of the mouse Fsp27 CIDE-N domain in Escherichia coli; a two-step purification protocol with high efficiency was established and crystallographic analysis was performed. The purity of the recombinant Fsp27 was >95% as assessed by SDS-PAGE. Crystals were obtained at 291 K using 28% polyethylene glycol 4000 as a precipitant. Diffraction data were collected to 1.92 Å resolution and the crystal belonged to space group P6(5), with unit-cell parameters a=b=63.3, c=37.4 Å, α=β=90, γ=120°. The components of the crystal were identified by ion-trap LC/MS/MS spectrometric analysis. The structure has been solved by molecular replacement and refinement is in progress.

  7. Crystallization and preliminary X-ray crystallographic analysis of polyphenol oxidase from Juglans regia (jrPPO1)

    Energy Technology Data Exchange (ETDEWEB)

    Zekiri, Florime; Bijelic, Aleksandar; Molitor, Christian; Rompel, Annette, E-mail: annette.rompel@univie.ac.at [Universität Wien, Althanstrasse 14, 1090 Wien (Austria)

    2014-05-28

    The crystallization and preliminary X-ray crystallographic analysis of a plant PPO exhibiting monophenolase activity from J. regia (jrPPO1) in its active form (Asp{sup 101}–Arg{sup 445}) are reported. Tyrosinase is a type 3 copper enzyme that catalyzes the ortho-hydroxylation of monophenols to diphenols as well as their subsequent oxidation to quinones, which are precursors for the biosynthesis of melanins. The first plant tyrosinase from walnut leaves (Juglans regia) was purified to homogeneity and crystallized. During the purification, two forms of the enzyme differing only in their C-termini [jrPPO1(Asp{sup 101}–Pro{sup 444}) and jrPPO1(Asp{sup 101}–Arg{sup 445})] were obtained. The most abundant form jrPPO1(Asp{sup 101}–Arg{sup 445}), as described in Zekiri et al. [Phytochemistry (2014 ▶), 101, 5–15], was crystallized, resulting in crystals that belonged to space group C121, with unit-cell parameters a = 115.56, b = 91.90, c = 86.87 Å, α = 90, β = 130.186, γ = 90°, and diffracted to 2.39 Å resolution. Crystals were only obtained from solutions containing at least 30% polyethylene glycol 5000 monomethyl ether in a close-to-neutral pH range.

  8. Crystallization and preliminary crystallographic studies of LipA, a secretory lipase/esterase from Xanthomonas oryzae pv. oryzae

    Energy Technology Data Exchange (ETDEWEB)

    Aparna, Gudlur; Chatterjee, Avradip; Jha, Gopaljee; Sonti, Ramesh V.; Sankaranarayanan, Rajan, E-mail: sankar@ccmb.res.in [Centre for Cellular and Molecular Biology, Uppal Road, Hyderabad 500 007 (India)

    2007-08-01

    The crystallization and preliminary crystallographic studies of LipA, a lipase/esterase secreted by X. oryzae pv. oryzae during its infection of rice plants, are reported. Xanthomonas oryzae pv. oryzae is the causal agent of bacterial leaf blight, a serious disease of rice. Several enzymes that are secreted through the type II secretion system of this bacterium play an important role in the plant–microbe interaction, being important for virulence and also being able to induce potent host defence responses. One of these enzymes is a secretory lipase/esterase, LipA, which shows a very weak homology to other bacterial lipases and gives a positive tributyrin plate assay. In this study, LipA was purified from the culture supernatant of an overexpressing clone of X. oryzae pv. oryzae and two types of crystals belonging to space group C2 but with two different unit-cell parameters were obtained using the hanging-drop vapour-diffusion method. Type I crystals diffract to a maximum resolution of 1.89 Å and have unit-cell parameters a = 93.1, b = 62.3, c = 66.1 Å, β = 90.8°. Type II crystals have unit-cell parameters a = 103.6, b = 54.6, c = 66.3 Å, β = 92.6° and diffract to 1.86 Å. Solvent-content analysis shows one monomer in the asymmetric unit in both the crystal forms.

  9. Purification, crystallization and preliminary crystallographic analysis of KatB, a manganese catalase from Anabaena PCC 7120.

    Science.gov (United States)

    Bihani, Subhash Chandra; Chakravarty, Dhiman; Ballal, Anand

    2013-11-01

    Catalases are enzymes that play an important role in the detoxification of hydrogen peroxide (H2O2) in aerobic organisms. Among catalases, haem-containing catalases are ubiquitously distributed and their enzymatic mechanism is very well understood. On the other hand, manganese catalases that contain a bimanganese core in the active site have been less well characterized and their mode of action is not fully understood. The genome of Anabaena PCC 7120 does not show the presence of a haem catalase-like gene; instead, two ORFs encoding manganese catalases (Mn-catalases) are present. Here, the crystallization and preliminary X-ray crystallographic analysis of KatB, one of the two Mn-catalases from Anabaena, are reported. KatB was crystallized using the hanging-drop vapour-diffusion method with PEG 400 as a precipitant and calcium acetate as an additive. Diffraction data were collected in-house on an Agilent SuperNova system using a microfocus sealed-tube X-ray source. The crystal diffracted to 2.2 Å resolution at 100 K. The tetragonal crystal belonged to space group P4(1)2(1)2 (or enantiomer), with unit-cell parameters a = b = 101.87, c = 138.86 Å. Preliminary X-ray diffraction analysis using the Matthews coefficient and self-rotation function suggests the presence of a trimer in the asymmetric unit.

  10. Superior Pre-Osteoblast Cell Response of Etched Ultrafine-Grained Titanium with a Controlled Crystallographic Orientation

    Science.gov (United States)

    Baek, Seung Mi; Shin, Myeong Hwan; Moon, Jongun; Jung, Ho Sang; Lee, See Am; Hwang, Woonbong; Yeom, Jong Taek; Hahn, Sei Kwang; Kim, Hyoung Seop

    2017-03-01

    Ultrafine-grained (UFG) Ti for improved mechanical performance as well as its surface modification enhancing biofunctions has attracted much attention in medical industries. Most of the studies on the surface etching of metallic biomaterials have focused on surface topography and wettability but not crystallographic orientation, i.e., texture, which influences the chemical as well as the physical properties. In this paper, the influences of texture and grain size on roughness, wettability, and pre-osteoblast cell response were investigated in vitro after HF etching treatment. The surface characteristics and cell behaviors of ultrafine, fine, and coarse-grained Ti were examined after the HF etching. The surface roughness during the etching treatment was significantly increased as the orientation angle from the basal pole was increased. The cell adhesion tendency of the rough surface was promoted. The UFG Ti substrate exhibited a higher texture energy state, rougher surface, enhanced hydrophilic wettability, and better cell adhesion and proliferation behaviors after etching than those of the coarse- and fine-grained Ti substrates. These results provide a new route for enhancing both mechanical and biological performances using etching after grain refinement of Ti.

  11. Analysis of the structural continuity in twinned crystals in terms of pseudo-eigensymmetry of crystallographic orbits

    Directory of Open Access Journals (Sweden)

    Mohamed Amine Marzouki

    2014-01-01

    Full Text Available The reticular theory of twinning gives the necessary conditions on the lattice level for the formation of twins. The latter are based on the continuation, more or less approximate, of a substructure through the composition surface. The analysis of this structural continuity can be performed in terms of the eigensymmetry of the crystallographic orbits corresponding to occupied Wyckoff positions in the structure. If {\\cal G} is the space group of the individual and {\\cal H} a space group which fixes the twin lattice obtained as an intersection of the space groups of the individuals in their respective orientations, then a structural continuity is obtained if (1 the eigensymmetry of an orbit under {\\cal G} contains the twin operation; (2 the eigensymmetry of a union of orbits under {\\cal G} contains the twin operation; (3 the eigensymmetry of a split orbit under {\\cal H} contains the twin operation; or (4 the eigensymmetry of a union of split orbits under {\\cal H} contains the twin operation. The case of the twins in melilite is analysed: the (approximate restoration of some of the orbits explains the formation of these twins.

  12. Crystallographic structure and energetics of the Rh(1 0 0)-(3 × 1)-2O phase

    Science.gov (United States)

    Kißlinger, T.; Ferstl, P.; Schneider, M. A.; Hammer, L.

    2017-09-01

    In this study we investigate the crystallographic structure of the Rh(1 0 0)-(3×1 )-2O phase by quantitative low energy electron diffraction (LEED) and scanning tunnelling microscopy as well as the energetics of the system applying density functional theory calculations (DFT). The (3×1 ) structure forms upon exposing the clean Rh(1 0 0) surface to 1200 L of oxygen at 520 K. A full-dynamical LEED intensity analysis (Pendry R-factor R= 0.095 ) reveals an oxygen-induced shifted row-reconstruction of the rhodium top layer where every third Rh-row is displaced by half a surface lattice parameter along the [0 1 1]-direction. There are two oxygen atoms within the unit cell which assume threefold coordinated sites on both sides of the shifted Rh-row with one bond to the shifted and two bonds to the unshifted rows. DFT calculations yield a total energy gain of 0.27 eV per oxygen atom compared to adsorption on the unreconstructed surface. This by far overcompensates the energetic penalty of 0.10 eV per oxygen atom for shifting the Rh-row and thus drives the substrate reconstruction. A coadsorption of oxygen at remaining regular sites of the substrate is not observed in experiment and is found to be energetically unfavorable.

  13. Crystallographic origin of perpendicular magnetic anisotropy in CoPt film: polarized x-ray absorption study

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, K.K.M.; Chen, J.S.; Liu, T.; Sun, C.J.; Chow, G.M.; (NU Sinapore); (ORNL)

    2009-09-17

    Crystallographic structure, growth induced miscibility gap and strain in Ta/Co{sub 100-x}Pt{sub x} (0 {le} x {le} 43 at%)/Ru/Ta/glass films deposited at ambient temperature were investigated using polarized x-ray absorption spectroscopy to clarify the origin of observed perpendicular magnetic anisotropy (PMA) in Co{sub 72}Pt{sub 28} film. Extended x-ray absorption fine structure spectroscopy data at Co K-edge showed that Co has a similar local atomic environment and averaged interatomic distance in the in-plane and out-of-plane polarization geometries for Co{sub 72}Pt{sub 28}, ruling out the contribution of magneto-elastic anisotropy and growth induced structural anisotropy as the origin of PMA. A large PMA in Co{sub 72}Pt{sub 28} film was attributed to the preferred hexagonal close-packed stacking as observed using the x-ray absorption near-edge structure spectroscopy.

  14. Enzyme transient state kinetics in crystal and solution from the perspective of a time-resolved crystallographer

    Directory of Open Access Journals (Sweden)

    Marius Schmidt

    2014-03-01

    Full Text Available With recent technological advances at synchrotrons [Graber et al., J. Synchrotron Radiat. 18, 658–670 (2011], it is feasible to rapidly collect time-resolved crystallographic data at multiple temperature settings [Schmidt et al., Acta Crystallogr. D 69, 2534–2542 (2013], from which barriers of activation can be extracted. With the advent of fourth generation X-ray sources, new opportunities emerge to investigate structure and dynamics of biological macromolecules in real time [M. Schmidt, Adv. Condens. Matter Phys. 2013, 1–10] in crystals and potentially from single molecules in random orientation in solution [Poon et al., Adv. Condens. Matter Phys. 2013, 750371]. Kinetic data from time-resolved experiments on short time-scales must be interpreted in terms of chemical kinetics [Steinfeld et al., Chemical Kinetics and Dynamics, 2nd ed. (Prentience Hall, 1985] and tied to existing time-resolved experiments on longer time-scales [Schmidt et al., Acta Crystallogr. D 69, 2534–2542 (2013; Jung et al., Nat. Chem. 5, 212–220 (2013]. With this article, we will review and outline steps that are required to routinely determine the energetics of reactions in biomolecules in crystal and solution with newest X-ray sources. In eight sections, we aim to describe concepts and experimental details that may help to inspire new approaches to collect and interpret these data.

  15. Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: II, application to decayed human teeth.

    Science.gov (United States)

    Adachi, Tetsuya; Pezzotti, Giuseppe; Yamamoto, Toshiro; Ichioka, Hiroaki; Boffelli, Marco; Zhu, Wenliang; Kanamura, Narisato

    2015-05-01

    A systematic investigation, based on highly spectrally resolved Raman spectroscopy, was undertaken to research the efficacy of vibrational assessments in locating chemical and crystallographic fingerprints for the characterization of dental caries and the early detection of non-cavitated carious lesions. Raman results published by other authors have indicated possible approaches for this method. However, they conspicuously lacked physical insight at the molecular scale and, thus, the rigor necessary to prove the efficacy of this spectroscopy method. After solving basic physical challenges in a companion paper, we apply them here in the form of newly developed Raman algorithms for practical dental research. Relevant differences in mineral crystallite (average) orientation and texture distribution were revealed for diseased enamel at different stages compared with healthy mineralized enamel. Clear spectroscopy features could be directly translated in terms of a rigorous and quantitative classification of crystallography and chemical characteristics of diseased enamel structures. The Raman procedure enabled us to trace back otherwise invisible characteristics in early caries, in the translucent zone (i.e., the advancing front of the disease) and in the body of lesion of cavitated caries.

  16. Crystallographic structure and substrate-binding interactions of the molybdate-binding protein of the phytopathogen Xanthomonas axonopodis pv. citri.

    Science.gov (United States)

    Balan, Andrea; Santacruz-Pérez, Carolina; Moutran, Alexandre; Ferreira, Luís Carlos Souza; Neshich, Goran; Gonçalves Barbosa, João Alexandre Ribeiro

    2008-02-01

    In Xanthomonas axonopodis pv. citri (Xac or X. citri), the modA gene codes for a periplasmic protein (ModA) that is capable of binding molybdate and tungstate as part of the ABC-type transporter required for the uptake of micronutrients. In this study, we report the crystallographic structure of the Xac ModA protein with bound molybdate. The Xac ModA structure is similar to orthologs with known three-dimensional structures and consists of two nearly symmetrical domains separated by a hinge region where the oxyanion-binding site lies. Phylogenetic analysis of different ModA orthologs based on sequence alignments revealed three groups of molybdate-binding proteins: bacterial phytopathogens, enterobacteria and soil bacteria. Even though the ModA orthologs are segregated into different groups, the ligand-binding hydrogen bonds are mostly conserved, except for Archaeglobus fulgidus ModA. A detailed discussion of hydrophobic interactions in the active site is presented and two new residues, Ala38 and Ser151, are shown to be part of the ligand-binding pocket.

  17. Soliton assisted control of source to drain electron transport along natural channels - crystallographic axes - in two-dimensional triangular crystal lattices

    Science.gov (United States)

    Chetverikov, A. P.; Ebeling, W.; Velarde, M. G.

    2016-09-01

    We present computational evidence of the possibility of fast, supersonic or subsonic, nearly loss-free ballistic-like transport of electrons bound to lattice solitons (a form of electron surfing on acoustic waves) along crystallographic axes in two-dimensional anharmonic crystal lattices. First we study the structural changes a soliton creates in the lattice and the time lapse of recovery of the lattice. Then we study the behavior of one electron in the polarization field of one and two solitons with crossing pathways with suitably monitored delay. We show how an electron surfing on a lattice soliton may switch to surf on the second soliton and hence changing accordingly the direction of its path. Finally we discuss the possibility to control the way an excess electron proceeds from a source at a border of the lattice to a selected drain at another border by following appropriate straight pathways on crystallographic axes.

  18. Crystallographic parameters of magnetic Pr2Fe14-xCoxB-type alloys determined using anomalous x-ray diffraction with synchrotron radiation

    Science.gov (United States)

    Galego, E.; Serna, M. M.; Ramanathan, L. V.; Faria, R. N.

    2017-02-01

    Anomalous x-ray synchrotron diffraction was used to determine the crystallographic parameters of PrFeCoB-based magnetic alloys. The effect of cobalt concentration on the crystallographic parameters of the magnetically hard Pr2Fe14-xCoxB phase was studied. The results indicate that addition of cobalt has a marked effect on crystal structure. Variation of the c parameter decreased twice as much as the a parameter with increase in Co content. The positions of inequivalent atoms of the magnetically hard matrix phase ϕ in the Pr-based alloys were determined using Rietveld refinement. This permitted determination of the relative distance of each inequivalent atom from its nearest neighbors. Cobalt occupied the 16k2 site and Fe had a tendency to occupy the 8j2 sites located between the Kagomé layers.

  19. Copper-based alloys, crystallographic and crystallochemical parameters of alloys in binary systems Cu-Me (Me=Co, Rh, Ir, Cu, Ag, Au, Ni, Pd, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Porobova, Svetlana, E-mail: porobova.sveta@yandex.ru; Loskutov, Oleg, E-mail: lom58@mail.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); Markova, Tat’jana, E-mail: patriot-rf@mail.ru [Siberian State Industrial University. 42 Kirov St., Novokuznetsk, 654007 (Russian Federation); Klopotov, Vladimir, E-mail: vdklopotov@mail.ru [Research Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050 (Russian Federation); Klopotov, Anatoliy, E-mail: klopotovaa@tsuab.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); National Research Tomsk State University, 36, Lenin Ave., Tomsk, 634050 (Russian Federation); Vlasov, Viktor, E-mail: vik@tsuab.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); Research Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050 (Russian Federation)

    2016-01-15

    The article presents the results of the analysis of phase equilibrium of ordered phases in binary systems based on copper Cu- Me (where Me - Co, Rh, Ir, Ag, Au, Ni, Pd, Pt) to find correlations of crystallochemical and crystallographic factors. It is established that the packing index in disordered solid solutions in binary systems based on copper is close to the value of 0.74 against the background of an insignificant deviation of atomic volumes from the Zen’s law.

  20. Synthesis and crystallographic analysis of meso-2,3-difluoro-1,4-butanediol and meso-1,4-dibenzyloxy-2,3-difluorobutane

    Directory of Open Access Journals (Sweden)

    Bruno Linclau

    2010-06-01

    Full Text Available A large-scale synthesis of meso-2,3-difluoro-1,4-butanediol in 5 steps from (Z-but-2-enediol is described. Crystallographic analysis of the diol and the corresponding benzyl ether reveals an anti conformation of the vicinal difluoride moiety. Monosilylation of the diol is high-yielding but all attempts to achieve chain extension through addition of alkyl Grignard and acetylide nucleophiles failed.