WorldWideScience

Sample records for replica method aimed

  1. Sealant retention is better assessed through colour photographs than through the replica and the visual examination methods

    NARCIS (Netherlands)

    Hu, X.; Fan, M.; Rong, W.; Lo, E.C.; Bronkhorst, E.M.; Frencken, J.E.F.M.

    2014-01-01

    The aim of this study was to test the hypothesis that the colour photograph method has a higher level of validity for assessing sealant retention than the visual clinical examination and replica methods. Sealed molars were assessed by two evaluators. The scores for the three methods were compared ag

  2. Long-time atomistic simulations with the Parallel Replica Dynamics method

    Science.gov (United States)

    Perez, Danny

    Molecular Dynamics (MD) -- the numerical integration of atomistic equations of motion -- is a workhorse of computational materials science. Indeed, MD can in principle be used to obtain any thermodynamic or kinetic quantity, without introducing any approximation or assumptions beyond the adequacy of the interaction potential. It is therefore an extremely powerful and flexible tool to study materials with atomistic spatio-temporal resolution. These enviable qualities however come at a steep computational price, hence limiting the system sizes and simulation times that can be achieved in practice. While the size limitation can be efficiently addressed with massively parallel implementations of MD based on spatial decomposition strategies, allowing for the simulation of trillions of atoms, the same approach usually cannot extend the timescales much beyond microseconds. In this article, we discuss an alternative parallel-in-time approach, the Parallel Replica Dynamics (ParRep) method, that aims at addressing the timescale limitation of MD for systems that evolve through rare state-to-state transitions. We review the formal underpinnings of the method and demonstrate that it can provide arbitrarily accurate results for any definition of the states. When an adequate definition of the states is available, ParRep can simulate trajectories with a parallel speedup approaching the number of replicas used. We demonstrate the usefulness of ParRep by presenting different examples of materials simulations where access to long timescales was essential to access the physical regime of interest and discuss practical considerations that must be addressed to carry out these simulations. Work supported by the United States Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division.

  3. Evaluation of generalized degrees of freedom for sparse estimation by replica method

    Science.gov (United States)

    Sakata, A.

    2016-12-01

    We develop a method to evaluate the generalized degrees of freedom (GDF) for linear regression with sparse regularization. The GDF is a key factor in model selection, and thus its evaluation is useful in many modelling applications. An analytical expression for the GDF is derived using the replica method in the large-system-size limit with random Gaussian predictors. The resulting formula has a universal form that is independent of the type of regularization, providing us with a simple interpretation. Within the framework of replica symmetric (RS) analysis, GDF has a physical meaning as the effective fraction of non-zero components. The validity of our method in the RS phase is supported by the consistency of our results with previous mathematical results. The analytical results in the RS phase are calculated numerically using the belief propagation algorithm.

  4. Impact of Channel Estimation Errors on Multiuser Detection via the Replica Method

    Directory of Open Access Journals (Sweden)

    Li Husheng

    2005-01-01

    Full Text Available For practical wireless DS-CDMA systems, channel estimation is imperfect due to noise and interference. In this paper, the impact of channel estimation errors on multiuser detection (MUD is analyzed under the framework of the replica method. System performance is obtained in the large system limit for optimal MUD, linear MUD, and turbo MUD, and is validated by numerical results for finite systems.

  5. Hamiltonian replica-permutation method and its applications to an alanine dipeptide and amyloid-β(29-42) peptides.

    Science.gov (United States)

    Itoh, Satoru G; Okumura, Hisashi

    2013-11-05

    We propose the Hamiltonian replica-permutation method (RPM) (or multidimensional RPM) for molecular dynamics and Monte Carlo simulations, in which parameters in the Hamiltonian are permuted among more than two replicas with the Suwa-Todo algorithm. We apply the Coulomb RPM, which is one of realization of the Hamiltonian RPM, to an alanine dipeptide and to two amyloid-β(29-42) molecules. The Hamiltonian RPM realizes more efficient sampling than the Hamiltonian replica-exchange method. We illustrate the protein misfolding funnel of amyloid-β(29-42) and reveal its dimerization pathways.

  6. How could the replica method improve accuracy of performance assessment of channel coding?

    Science.gov (United States)

    Kabashima, Yoshiyuki

    2009-12-01

    We explore the relation between the techniques of statistical mechanics and information theory for assessing the performance of channel coding. We base our study on a framework developed by Gallager in IEEE Trans. Inform. Theory IT-11, 3 (1965), where the minimum decoding error probability is upper-bounded by an average of a generalized Chernoff's bound over a code ensemble. We show that the resulting bound in the framework can be directly assessed by the replica method, which has been developed in statistical mechanics of disordered systems, whereas in Gallager's original methodology further replacement by another bound utilizing Jensen's inequality is necessary. Our approach associates a seemingly ad hoc restriction with respect to an adjustable parameter for optimizing the bound with a phase transition between two replica symmetric solutions, and can improve the accuracy of performance assessments of general code ensembles including low density parity check codes, although its mathematical justification is still open.

  7. Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.

    Science.gov (United States)

    Roe, Daniel R; Bergonzo, Christina; Cheatham, Thomas E

    2014-04-03

    Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling techniques are often applied to provide faster convergence than is possible with traditional molecular dynamics simulations. Hamiltonian replica exchange molecular dynamics (H-REMD) is a particularly attractive method, as it allows the incorporation of a variety of enhanced sampling techniques through modifications to the various Hamiltonians. In this work, we study the enhanced sampling of the RNA tetranucleotide r(GACC) provided by H-REMD combined with accelerated molecular dynamics (aMD), where a boosting potential is applied to torsions, and compare this to the enhanced sampling provided by H-REMD in which torsion potential barrier heights are scaled down to lower force constants. We show that H-REMD and multidimensional REMD (M-REMD) combined with aMD does indeed enhance sampling for r(GACC), and that the addition of the temperature dimension in the M-REMD simulations is necessary to efficiently sample rare conformations. Interestingly, we find that the rate of convergence can be improved in a single H-REMD dimension by simply increasing the number of replicas from 8 to 24 without increasing the maximum level of bias. The results also indicate that factors beyond replica spacing, such as round trip times and time spent at each replica, must be considered in order to achieve optimal sampling efficiency.

  8. A hamiltonian replica exchange method for building protein-protein interfaces applied to a leucine zipper.

    Science.gov (United States)

    Cukier, Robert I

    2011-01-28

    Leucine zippers consist of alpha helical monomers dimerized (or oligomerized) into alpha superhelical structures known as coiled coils. Forming the correct interface of a dimer from its monomers requires an exploration of configuration space focused on the side chains of one monomer that must interdigitate with sites on the other monomer. The aim of this work is to generate good interfaces in short simulations starting from separated monomers. Methods are developed to accomplish this goal based on an extension of a previously introduced [Su and Cukier, J. Phys. Chem. B 113, 9595, (2009)] hamiltonian temperature replica exchange method (HTREM), which scales the hamiltonian in both potential and kinetic energies that was used for the simulation of dimer melting curves. The new method, HTREM_MS (MS designates mean square), focused on interface formation, adds restraints to the hamiltonians for all but the physical system, which is characterized by the normal molecular dynamics force field at the desired temperature. The restraints in the nonphysical systems serve to prevent the monomers from separating too far, and have the dual aims of enhancing the sampling of close in configurations and breaking unwanted correlations in the restrained systems. The method is applied to a 31-residue truncation of the 33-residue leucine zipper (GCN4-p1) of the yeast transcriptional activator GCN4. The monomers are initially separated by a distance that is beyond their capture length. HTREM simulations show that the monomers oscillate between dimerlike and monomerlike configurations, but do not form a stable interface. HTREM_MS simulations result in the dimer interface being faithfully reconstructed on a 2 ns time scale. A small number of systems (one physical and two restrained with modified potentials and higher effective temperatures) are sufficient. An in silico mutant that should not dimerize because it lacks charged residues that provide electrostatic stabilization of the dimer

  9. A Hamiltonian replica exchange method for building protein-protein interfaces applied to a leucine zipper

    Science.gov (United States)

    Cukier, Robert I.

    2011-01-01

    Leucine zippers consist of alpha helical monomers dimerized (or oligomerized) into alpha superhelical structures known as coiled coils. Forming the correct interface of a dimer from its monomers requires an exploration of configuration space focused on the side chains of one monomer that must interdigitate with sites on the other monomer. The aim of this work is to generate good interfaces in short simulations starting from separated monomers. Methods are developed to accomplish this goal based on an extension of a previously introduced [Su and Cukier, J. Phys. Chem. B 113, 9595, (2009)] Hamiltonian temperature replica exchange method (HTREM), which scales the Hamiltonian in both potential and kinetic energies that was used for the simulation of dimer melting curves. The new method, HTREM_MS (MS designates mean square), focused on interface formation, adds restraints to the Hamiltonians for all but the physical system, which is characterized by the normal molecular dynamics force field at the desired temperature. The restraints in the nonphysical systems serve to prevent the monomers from separating too far, and have the dual aims of enhancing the sampling of close in configurations and breaking unwanted correlations in the restrained systems. The method is applied to a 31-residue truncation of the 33-residue leucine zipper (GCN4-p1) of the yeast transcriptional activator GCN4. The monomers are initially separated by a distance that is beyond their capture length. HTREM simulations show that the monomers oscillate between dimerlike and monomerlike configurations, but do not form a stable interface. HTREM_MS simulations result in the dimer interface being faithfully reconstructed on a 2 ns time scale. A small number of systems (one physical and two restrained with modified potentials and higher effective temperatures) are sufficient. An in silico mutant that should not dimerize because it lacks charged residues that provide electrostatic stabilization of the dimer

  10. Manufacture of patient-specific vascular replicas for endovascular simulation using fast, low-cost method

    Science.gov (United States)

    Kaneko, Naoki; Mashiko, Toshihiro; Ohnishi, Taihei; Ohta, Makoto; Namba, Katsunari; Watanabe, Eiju; Kawai, Kensuke

    2016-12-01

    Patient-specific vascular replicas are essential to the simulation of endovascular treatment or for vascular research. The inside of silicone replica is required to be smooth for manipulating interventional devices without resistance. In this report, we demonstrate the fabrication of patient-specific silicone vessels with a low-cost desktop 3D printer. We show that the surface of an acrylonitrile butadiene styrene (ABS) model printed by the 3D printer can be smoothed by a single dipping in ABS solvent in a time-dependent manner, where a short dip has less effect on the shape of the model. The vascular mold is coated with transparent silicone and then the ABS mold is dissolved after the silicone is cured. Interventional devices can pass through the inside of the smoothed silicone vessel with lower pushing force compared to the vessel without smoothing. The material cost and time required to fabricate the silicone vessel is about USD $2 and 24 h, which is much lower than the current fabrication methods. This fast and low-cost method offers the possibility of testing strategies before attempting particularly difficult cases, while improving the training of endovascular therapy, enabling the trialing of new devices, and broadening the scope of vascular research.

  11. Pion emission from the T2K replica target: method, results and application

    CERN Document Server

    Abgrall, N; Anticic, T; Antoniou, N; Argyriades, J; Baatar, B; Blondel, A; Blumer, J; Bogomilov, M; Bravar, A; Brooks, W; Brzychczyk, J; Bubak, A; Bunyatov, S A; Busygina, O; Christakoglou, P; Chung, P; Czopowicz, T; Davis, N; Debieux, S; Di Luise, S; Dominik, W; Dumarchez, J; Dynowski, K; Engel, R; Ereditato, A; Esposito, L S; Feofilov, G A; Fodor, Z; Ferrero, A; Fulop, A; Gazdzicki, M; Golubeva, M; Grabez, B; Grebieszkow, K; Grzeszczuk, A; Guber, F; Haesler, A; Hakobyan, H; Hasegawa, T; Idczak, R; Igolkin, S; Ivanov, Y; Ivashkin, A; Kadija, K; Kapoyannis, A; Katrynska, N; Kielczewska, D; Kikola, D; Kirejczyk, M; Kisiel, J; Kiss, T; Kleinfelder, S; Kobayashi, T; Kochebina, O; Kolesnikov, V I; Kolev, D; Kondratiev, V P; Korzenev, A; Kowalski, S; Krasnoperov, A; Kuleshov, S; Kurepin, A; Lacey, R; Larsen, D; Laszlo, A; Lyubushkin, V V; Mackowiak-Pawlowska, M; Majka, Z; Maksiak, B; Malakhov, A I; Maletic, D; Marchionni, A; Marcinek, A; Maris, I; Marin, V; Marton, K; Matulewicz, T; Matveev, V; Melkumov, G L; Messina, M; Mrowczynski, St; Murphy, S; Nakadaira, T; Nishikawa, K; Palczewski, T; Palla, G; Panagiotou, A D; Paul, T; Peryt, W; Petukhov, O; Planeta, R; Pluta, J; Popov, B A; Posiadala, M; Pulawski, S; Puzovic, J; Rauch, W; Ravonel, M; Renfordt, R; Robert, A; Rohrich, D; Rondio, E; Rossi, B; Roth, M; Rubbia, A; Rustamov, A; Rybczynski, M; Sadovsky, A; Sakashita, K; Savic, M; Sekiguchi, T; Seyboth, P; Shibata, M; Sipos, M; Skrzypczak, E; Slodkowski, M; Staszel, P; Stefanek, G; Stepaniak, J; Strabel, C; Strobele, H; Susa, T; Szuba, M; Tada, M; Taranenko, A; Tereshchenko, V; Tolyhi, T; Tsenov, R; Turko, L; Ulrich, R; Unger, M; Vassiliou, M; Veberic, D; Vechernin, V V; Vesztergombi, G; Wilczek, A; Wlodarczyk, Z; Wojtaszek-Szwarc, A; Wyszynski, O; Zambelli, L; Zipper, W; Hartz, M; Ichikawa, A K; Kubo, H; Marino, A D; Matsuoka, K; Murakami, A; Nakaya, T; Suzuki, K; Yuan, T; Zimmerman, E D

    2013-01-01

    The T2K long-baseline neutrino oscillation experiment in Japan needs precise predictions of the initial neutrino flux. The highest precision can be reached based on detailed measurements of hadron emission from the same target as used by T2K exposed to a proton beam of the same kinetic energy of 30 GeV. The corresponding data were recorded in 2007-2010 by the NA61/SHINE experiment at the CERN SPS using a replica of the T2K graphite target. In this paper details of the experiment, data taking, data analysis method and results from the 2007 pilot run are presented. Furthermore, the application of the NA61/SHINE measurements to the predictions of the T2K initial neutrino flux is described and discussed.

  12. Using the multi-objective optimization replica exchange Monte Carlo enhanced sampling method for protein-small molecule docking.

    Science.gov (United States)

    Wang, Hongrui; Liu, Hongwei; Cai, Leixin; Wang, Caixia; Lv, Qiang

    2017-07-10

    In this study, we extended the replica exchange Monte Carlo (REMC) sampling method to protein-small molecule docking conformational prediction using RosettaLigand. In contrast to the traditional Monte Carlo (MC) and REMC sampling methods, these methods use multi-objective optimization Pareto front information to facilitate the selection of replicas for exchange. The Pareto front information generated to select lower energy conformations as representative conformation structure replicas can facilitate the convergence of the available conformational space, including available near-native structures. Furthermore, our approach directly provides min-min scenario Pareto optimal solutions, as well as a hybrid of the min-min and max-min scenario Pareto optimal solutions with lower energy conformations for use as structure templates in the REMC sampling method. These methods were validated based on a thorough analysis of a benchmark data set containing 16 benchmark test cases. An in-depth comparison between MC, REMC, multi-objective optimization-REMC (MO-REMC), and hybrid MO-REMC (HMO-REMC) sampling methods was performed to illustrate the differences between the four conformational search strategies. Our findings demonstrate that the MO-REMC and HMO-REMC conformational sampling methods are powerful approaches for obtaining protein-small molecule docking conformational predictions based on the binding energy of complexes in RosettaLigand.

  13. Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium.

    Science.gov (United States)

    Małolepsza, Edyta; Secor, Maxim; Keyes, Tom

    2015-10-22

    A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed to simulate first-order phase transitions. The properties of the isobaric gREM ensemble are discussed, and a study is presented for the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. Phase diagrams, critical parameters, and a law of corresponding states are obtained.

  14. Seismic wavefield imaging based on the replica exchange Monte Carlo method

    Science.gov (United States)

    Kano, Masayuki; Nagao, Hiromichi; Ishikawa, Daichi; Ito, Shin-ichi; Sakai, Shin'ichi; Nakagawa, Shigeki; Hori, Muneo; Hirata, Naoshi

    2016-11-01

    Earthquakes sometimes cause serious disasters not only directly by ground motion itself but also secondarily by infrastructure damage, particularly in densely populated urban areas that have capital functions. To reduce the number and severity of secondary disasters, it is important to evaluate seismic hazards rapidly by analyzing the seismic responses of individual structures to input ground motions. We propose a method that integrates physics-based and data-driven approaches in order to obtain a seismic wavefield for use as input to a seismic response analysis. The new contribution of this study is the use of the replica exchange Monte Carlo (REMC) method, which is one of the Markov chain Monte Carlo (MCMC) methods, for estimation of a seismic wavefield, together with a one-dimensional (1-D) local subsurface structure and source information. Numerical tests were conducted to verify the proposed method, using synthetic observation data obtained from analytical solutions for two horizontally-layered subsurface structure models. The geometries of the observation sites were determined from the dense seismic observation array called the Metropolitan Seismic Observation network (MeSO-net), which has been in operation in the Tokyo metropolitan area in Japan since 2007. The results of the numerical tests show that the proposed method is able to search the parameters related to the source and the local subsurface structure in a broader parameter space than the Metropolis method, which is an ordinary MCMC method. The proposed method successfully reproduces a seismic wavefield consistent with a true wavefield. In contrast, ordinary kriging, which is a classical data-driven interpolation method for spatial data, is hardly able to reproduce a true wavefield, even in the low frequency bands. This suggests that it is essential to employ both physics-based and data-driven approaches in seismic wavefield imaging, utilizing seismograms from a dense seismic array. The REMC method

  15. Seismic wavefield imaging based on the replica exchange Monte Carlo method

    Science.gov (United States)

    Kano, Masayuki; Nagao, Hiromichi; Ishikawa, Daichi; Ito, Shin-ichi; Sakai, Shin'ichi; Nakagawa, Shigeki; Hori, Muneo; Hirata, Naoshi

    2017-01-01

    Earthquakes sometimes cause serious disasters not only directly by ground motion itself but also secondarily by infrastructure damage, particularly in densely populated urban areas that have capital functions. To reduce the number and severity of secondary disasters, it is important to evaluate seismic hazards rapidly by analysing the seismic responses of individual structures to input ground motions. We propose a method that integrates physics-based and data-driven approaches in order to obtain a seismic wavefield for use as input to a seismic response analysis. The new contribution of this study is the use of the replica exchange Monte Carlo (REMC) method, which is one of the Markov chain Monte Carlo (MCMC) methods, for estimation of a seismic wavefield, together with a 1-D local subsurface structure and source information. Numerical tests were conducted to verify the proposed method, using synthetic observation data obtained from analytical solutions for two horizontally layered subsurface structure models. The geometries of the observation sites were determined from the dense seismic observation array called the Metropolitan Seismic Observation network, which has been in operation in the Tokyo metropolitan area in Japan since 2007. The results of the numerical tests show that the proposed method is able to search the parameters related to the source and the local subsurface structure in a broader parameter space than the Metropolis method, which is an ordinary MCMC method. The proposed method successfully reproduces a seismic wavefield consistent with a true wavefield. In contrast, ordinary kriging, which is a classical data-driven interpolation method for spatial data, is hardly able to reproduce a true wavefield, even in the low frequency bands. This suggests that it is essential to employ both physics-based and data-driven approaches in seismic wavefield imaging, utilizing seismograms from a dense seismic array. The REMC method, which provides not only

  16. Matching Investigation between Instrument Precision and Aiming Method

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    In the course of using precise visual instrument, aiming precision is an important parameter to analyze the measurement error. Usually, instrument calibrated error is set down as measurement error. In the paper, the precision theory of TC2003 theodolite is analyzed and some aiming experiments is done for different width line. Then, the relations between the width of line and aiming precision are shown by different aiming methods of two superposition solid lines and one line clipped by double lines. Finally, an effective method to improve aiming precision is proposed which adopts the aiming method of one line clipped by double lines.

  17. Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy Estimation.

    Science.gov (United States)

    Mentes, Ahmet; Deng, Nan-Jie; Vijayan, R S K; Xia, Junchao; Gallicchio, Emilio; Levy, Ronald M

    2016-05-10

    Molecular dynamics modeling of complex biological systems is limited by finite simulation time. The simulations are often trapped close to local energy minima separated by high energy barriers. Here, we introduce Hamiltonian replica exchange (H-REMD) with torsional flattening in the Binding Energy Distribution Analysis Method (BEDAM), to reduce energy barriers along torsional degrees of freedom and accelerate sampling of intramolecular degrees of freedom relevant to protein-ligand binding. The method is tested on a standard benchmark (T4 Lysozyme/L99A/p-xylene complex) and on a library of HIV-1 integrase complexes derived from the SAMPL4 blind challenge. We applied the torsional flattening strategy to 26 of the 53 known binders to the HIV Integrase LEDGF site found to have a binding energy landscape funneled toward the crystal structure. We show that our approach samples the conformational space more efficiently than the original method without flattening when starting from a poorly docked pose with incorrect ligand dihedral angle conformations. In these unfavorable cases convergence to a binding pose within 2-3 Å from the crystallographic pose is obtained within a few nanoseconds of the Hamiltonian replica exchange simulation. We found that torsional flattening is insufficient in cases where trapping is due to factors other than torsional energy, such as the formation of incorrect intramolecular hydrogen bonds and stacking. Work is in progress to generalize the approach to handle these cases and thereby make it more widely applicable.

  18. Entropy generation in Gaussian quantum transformations: applying the replica method to continuous-variable quantum information theory

    Science.gov (United States)

    Gagatsos, Christos N.; Karanikas, Alexandros I.; Kordas, Georgios; Cerf, Nicolas J.

    2016-02-01

    In spite of their simple description in terms of rotations or symplectic transformations in phase space, quadratic Hamiltonians such as those modelling the most common Gaussian operations on bosonic modes remain poorly understood in terms of entropy production. For instance, determining the quantum entropy generated by a Bogoliubov transformation is notably a hard problem, with generally no known analytical solution, while it is vital to the characterisation of quantum communication via bosonic channels. Here we overcome this difficulty by adapting the replica method, a tool borrowed from statistical physics and quantum field theory. We exhibit a first application of this method to continuous-variable quantum information theory, where it enables accessing entropies in an optical parametric amplifier. As an illustration, we determine the entropy generated by amplifying a binary superposition of the vacuum and a Fock state, which yields a surprisingly simple, yet unknown analytical expression.

  19. Novel approach to the fabrication of an artificial small bone using a combination of sponge replica and electrospinning methods

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yang-Hee; Lee, Byong-Taek, E-mail: lbt@sch.ac.kr [Department of Biomedical Engineering and Materials, School of Medicine, Soonchunhyang University 366-1, Ssangyong-dong, Cheonan, Chungnam 330-090 (Korea, Republic of)

    2011-06-15

    In this study, a novel artificial small bone consisting of ZrO{sub 2}-biphasic calcium phosphate/polymethylmethacrylate-polycaprolactone-hydroxyapatite (ZrO{sub 2}-BCP/PMMA-PCL-HAp) was fabricated using a combination of sponge replica and electrospinning methods. To mimic the cancellous bone, the ZrO{sub 2}/BCP scaffold was composed of three layers, ZrO{sub 2}, ZrO{sub 2}/BCP and BCP, fabricated by the sponge replica method. The PMMA-PCL fibers loaded with HAp powder were wrapped around the ZrO{sub 2}/BCP scaffold using the electrospinning process. To imitate the Haversian canal region of the bone, HAp-loaded PMMA-PCL fibers were wrapped around a steel wire of 0.3 mm diameter. As a result, the bundles of fiber wrapped around the wires imitated the osteon structure of the cortical bone. Finally, the ZrO{sub 2}/BCP scaffold was surrounded by HAp-loaded PMMA-PCL composite bundles. After removal of the steel wires, the ZrO{sub 2}/BCP scaffold and bundles of HAp-loaded PMMA-PCL formed an interconnected structure resembling the human bone. Its diameter, compressive strength and porosity were approximately 12 mm, 5 MPa and 70%, respectively, and the viability of MG-63 osteoblast-like cells was determined to be over 90% by the MTT (3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide) assay. This artificial bone shows excellent cytocompatibility and is a promising bone regeneration material.

  20. Are Bosonic Replicas Faulty?

    CERN Document Server

    Osipov, Vladimir Al

    2007-01-01

    Motivated by the ongoing discussion about a seeming asymmetry in the performance of fermionic and bosonic replicas, we present an exact, nonperturbative approach to zero-dimensional replica field theories belonging to the broadly interpreted "beta=2" Dyson symmetry class. We then utilise the formalism developed to demonstrate that the bosonic replicas do correctly reproduce the microscopic spectral density in the QCD inspired chiral Gaussian unitary ensemble. This disproves the myth that the bosonic replica field theories are intrinsically faulty.

  1. Replica symmetry breaking for anisotropic magnets with quenched disorder

    Science.gov (United States)

    Kogan, E.; Kaveh, M.

    2017-01-01

    We study critical behaviour of a magnet with cubic anisotropy and quenched scalar disorder which is taken into account by replica method. We derive to first order in ε approximation the renormalization group equations taking into account possible replica symmetry breaking. We study the stability of the replica symmetric fixed points with respect to perturbations without (in general case) replica symmetry. However, we find that if a fixed point is stable with respect to replica symmetric deviations, it is also stable with respect to deviations without replica symmetry.

  2. Linking aims, paradigm and method in nursing research.

    Science.gov (United States)

    Houghton, Catherine; Hunter, Andrew; Meskell, Pauline

    2012-01-01

    To explore the use of paradigms as ontological and philosophical guides for conducting PhD research. A paradigm can help to bridge the aims of a study and the methods to achieve them. However, choosing a paradigm can be challenging for doctoral researchers: there can be ambiguity about which paradigm is suitable for a particular research question and there is a lack of guidance on how to shape the research process for a chosen paradigm. The authors discuss three paradigms used in PhD nursing research: post-positivism, interpretivism and pragmatism. They compare each paradigm in relation to its ontology, epistemology and methodology, and present three examples of PhD nursing research studies to illustrate how research can be conducted using these paradigms in the context of the research aims and methods. The commonalities and differences between the paradigms and their uses are highlighted. Creativity and flexibility are important when deciding on a paradigm. However, consistency and transparency are also needed to ensure the quality and rigour necessary for conducting nursing research. When choosing a suitable paradigm, the researcher should ensure that the ontology, epistemology and methodology of the paradigm are manifest in the methods and research strategies employed.

  3. Aims and methods of IRD expert group reviews

    OpenAIRE

    Beauvais, Marie-Laure

    2013-01-01

    This work, the seventh published in the IRD’s “Expert Group Review“ series, has the same general aims as the earlier ones and has been conducted by the same method, briefly summarized below. The IRD (Institut de recherche pour le développement, a State-funded research agency) conducts expert group reviews “to order“, to inform policy decisions and public debate on issues of importance to society. Putting its scientists’ research and knowledge at the disposal of the community is one of the IRD...

  4. Aims and methods of IRD expert group reviews in general

    OpenAIRE

    Beauvais, Marie-Laure

    2013-01-01

    This work, the sixth to be published in the IRD’s “Expert Group Review” series, has the same general aims as the earlier ones and has been conducted by the same method, briefly summarised below. The IRD (Institut de recherche pour le développement, a State-funded research agency) conducts expert group reviews “to order”, to inform policy decisions and public debate on issues of importance to society. Putting its scientists’ research and knowledge at the disposal of the community is one of the...

  5. Reliability of the impression replica technique.

    Science.gov (United States)

    Falk, Anders; Vult von Steyern, Per; Fransson, Håkan; Thorén, Margareta Molin

    2015-01-01

    The aim of this study was to evaluate the reliability of the impression replica technique with a four-unit zirconia fixed dental prosthesis (FDP). Marginal and internal fit were measured by repeatedly placing the FDP on an epoxy cast using light-body silicone material corresponding to cement. All measured marginal and internal fit points showed varying values. The greatest variations were seen at the most distal margin (33 μm) and at the distal abutment of the FDP (77 μm). The results showed that the technique gives moderate variations and is a useful method to evaluate marginal and internal fit.

  6. Seismic wavefield imaging in the Tokyo metropolitan area, Japan, based on the replica exchange Monte Carlo method

    Science.gov (United States)

    Kano, Masayuki; Nagao, Hiromichi; Nagata, Kenji; Ito, Shin-ichi; Sakai, Shin'ichi; Nakagawa, Shigeki; Hori, Muneo; Hirata, Naoshi

    2017-04-01

    Earthquakes sometimes cause serious disasters not only directly by ground motion itself but also secondarily by infrastructure damage, particularly in densely populated urban areas. To reduce these secondary disasters, it is important to rapidly evaluate seismic hazards by analyzing the seismic responses of individual structures due to the input ground motions. Such input motions are estimated utilizing an array of seismometers that are distributed more sparsely than the structures. We propose a methodology that integrates physics-based and data-driven approaches in order to obtain the seismic wavefield to be input into seismic response analysis. This study adopts the replica exchange Monte Carlo (REMC) method, which is one of the Markov chain Monte Carlo (MCMC) methods, for the estimation of the seismic wavefield together with one-dimensional local subsurface structure and source information. Numerical tests show that the REMC method is able to search the parameters related to the source and the local subsurface structure in broader parameter space than the Metropolis method, which is an ordinary MCMC method. The REMC method well reproduces the seismic wavefield consistent with the true one. In contrast, the ordinary kriging, which is a classical data-driven interpolation method for spatial data, is hardly able to reproduce the true wavefield even at low frequencies. This indicates that it is essential to take both physics-based and data-driven approaches into consideration for seismic wavefield imaging. Then the REMC method is applied to the actual waveforms observed by a dense seismic array MeSO-net (Metropolitan Seismic Observation network), in which 296 accelerometers are continuously in operation with several kilometer intervals in the Tokyo metropolitan area, Japan. The estimated wavefield within a frequency band of 0.10-0.20 Hz is absolutely consistent with the observed waveforms. Further investigation suggests that the seismic wavefield is successfully

  7. A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events

    Science.gov (United States)

    Swenson, David W. H.; Bolhuis, Peter G.

    2014-07-01

    The multiple state transition interface sampling (TIS) framework in principle allows the simulation of a large network of complex rare event transitions, but in practice suffers from convergence problems. To improve convergence, we combine multiple state TIS [J. Rogal and P. G. Bolhuis, J. Chem. Phys. 129, 224107 (2008)] with replica exchange TIS [T. S. van Erp, Phys. Rev. Lett. 98, 268301 (2007)]. In addition, we introduce multiple interface sets, which allow more than one order parameter to be defined for each state. We illustrate the methodology on a model system of multiple independent dimers, each with two states. For reaction networks with up to 64 microstates, we determine the kinetics in the microcanonical ensemble, and discuss the convergence properties of the sampling scheme. For this model, we find that the kinetics depend on the instantaneous composition of the system. We explain this dependence in terms of the system's potential and kinetic energy.

  8. Crystal Ball Replica

    Science.gov (United States)

    Ajamian, John

    2016-09-01

    The A2 collaboration of the Institute for Nuclear Physics of Johannes Gutenberg University performs research on (multiple) meson photoproduction and nucleon structure and dynamics using a high energy polarized photon beam at specific targets. Particles scattered from the target are detected in the Crystal Ball, or CB. The CB is composed of 672 NaI crystals that surround the target and can analyze particle type and energy of ejected particles. Our project was to create a replica of the CB that could display what was happening in real time on a 3 Dimensional scale replica. Our replica was constructed to help explain the physics to the general public, be used as a tool when calibrating each of the 672 NaI crystals, and to better analyze the electron showering of particles coming from the target. This poster will focus on the hardware steps necessary to construct the replica and wire the 672 programmable LEDS in such a way that they can be mapped to correspond to the Crystal Ball elements. George Washington NSF Grant.

  9. The use of 3D laser imaging and a new breast replica cast as a method to optimize autologous breast reconstruction after mastectomy.

    Science.gov (United States)

    Ahcan, Uros; Bracun, Drago; Zivec, Katarina; Pavlic, Rok; Butala, Peter

    2012-04-01

    Aesthetically pleasing and symmetrical breasts are the goal of reconstructive breast surgery. Sometimes, however, multiple procedures are needed to improve a reconstructed breast's symmetry and appearance. In order to avoid additional corrective procedures, we have developed a new method that uses a reverse engineering technique to produce what we call a new breast replica cast (NBRC). The NBRC is a mould of the contralateral healthy breast, designed according to preoperative laser 3D images. During surgery, the mould is used to help shape the new breast. With this method, we are able to achieve breast symmetry in terms of volume, projection, contour, and position on the chest wall more accurately, more quickly, and more safely than before. Copyright © 2011 Elsevier Ltd. All rights reserved.

  10. Replica symmetric spin glass field theory

    Energy Technology Data Exchange (ETDEWEB)

    Temesvari, T. [Research Group for Theoretical Physics of the Hungarian Academy of Sciences, Eoetvoes University, Pazmany Peter setany 1/A, H-1117 Budapest (Hungary)]. E-mail: temtam@helios.elte.hu

    2007-06-18

    A new powerful method to test the stability of the replica symmetric spin glass phase is proposed by introducing a replicon generator function g(v). Exact symmetry arguments are used to prove that its extremum is proportional to the inverse spin glass susceptibility. By the idea of independent droplet excitations a scaling form for g(v) can be derived, whereas it can be exactly computed in the mean field Sherrington-Kirkpatrick model. It is shown by a first order perturbative treatment that the replica symmetric phase is unstable down to dimensions d < or approx. 6, and the mean field scaling function proves to be very robust. Although replica symmetry breaking is escalating for decreasing dimensionality, a mechanism caused by the infrared divergent replicon propagator may destroy the mean field picture at some low enough dimension.

  11. Replica symmetric spin glass field theory

    Science.gov (United States)

    Temesvári, T.

    2007-06-01

    A new powerful method to test the stability of the replica symmetric spin glass phase is proposed by introducing a replicon generator function g(v). Exact symmetry arguments are used to prove that its extremum is proportional to the inverse spin glass susceptibility. By the idea of independent droplet excitations a scaling form for g(v) can be derived, whereas it can be exactly computed in the mean field Sherrington-Kirkpatrick model. It is shown by a first order perturbative treatment that the replica symmetric phase is unstable down to dimensions d≲6, and the mean field scaling function proves to be very robust. Although replica symmetry breaking is escalating for decreasing dimensionality, a mechanism caused by the infrared divergent replicon propagator may destroy the mean field picture at some low enough dimension.

  12. Replica Fourier Transform: Properties and applications

    Directory of Open Access Journals (Sweden)

    A. Crisanti

    2015-02-01

    Full Text Available The Replica Fourier Transform is the generalization of the discrete Fourier Transform to quantities defined on an ultrametric tree. It finds use in conjunction of the replica method used to study thermodynamics properties of disordered systems such as spin glasses. Its definition is presented in a systematic and simple form and its use illustrated with some representative examples. In particular we give a detailed discussion of the diagonalization in the Replica Fourier Space of the Hessian matrix of the Gaussian fluctuations about the mean field saddle point of spin glass theory. The general results are finally discussed for a generic spherical spin glass model, where the Hessian can be computed analytically.

  13. Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods.

    Science.gov (United States)

    Gai, Lili; Vogel, Thomas; Maerzke, Katie A; Iacovella, Christopher R; Landau, David P; Cummings, Peter T; McCabe, Clare

    2013-08-07

    Two different techniques - replica-exchange Wang-Landau (REWL) and statistical temperature molecular dynamics (STMD) - were applied to systematically study the phase transition behavior of self-assembling lipids as a function of temperature using an off-lattice lipid model. Both methods allow the direct calculation of the density of states with improved efficiency compared to the original Wang-Landau method. A 3-segment model of amphiphilic lipids solvated in water has been studied with varied particle interaction energies (ε) and lipid concentrations. The phase behavior of the lipid molecules with respect to bilayer formation has been characterized through the calculation of the heat capacity as a function of temperature, in addition to various order parameters and general visual inspection. The simulations conducted by both methods can go to very low temperatures with the whole system exhibiting well-ordered structures. With optimized parameters, several bilayer phases are observed within the temperature range studied, including gel phase bilayers with frozen water, mixed water (i.e., frozen and liquid water), and liquid water, and a more fluid bilayer with liquid water. The results obtained from both methods, STMD and REWL, are consistently in excellent agreement with each other, thereby validating both the methods and the results.

  14. Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods

    Science.gov (United States)

    Gai, Lili; Vogel, Thomas; Maerzke, Katie A.; Iacovella, Christopher R.; Landau, David P.; Cummings, Peter T.; McCabe, Clare

    2013-08-01

    Two different techniques - replica-exchange Wang-Landau (REWL) and statistical temperature molecular dynamics (STMD) - were applied to systematically study the phase transition behavior of self-assembling lipids as a function of temperature using an off-lattice lipid model. Both methods allow the direct calculation of the density of states with improved efficiency compared to the original Wang-Landau method. A 3-segment model of amphiphilic lipids solvated in water has been studied with varied particle interaction energies (ɛ) and lipid concentrations. The phase behavior of the lipid molecules with respect to bilayer formation has been characterized through the calculation of the heat capacity as a function of temperature, in addition to various order parameters and general visual inspection. The simulations conducted by both methods can go to very low temperatures with the whole system exhibiting well-ordered structures. With optimized parameters, several bilayer phases are observed within the temperature range studied, including gel phase bilayers with frozen water, mixed water (i.e., frozen and liquid water), and liquid water, and a more fluid bilayer with liquid water. The results obtained from both methods, STMD and REWL, are consistently in excellent agreement with each other, thereby validating both the methods and the results.

  15. Hyper-V Replica essentials

    CERN Document Server

    Krstevski, Vangel

    2013-01-01

    a in various deployment scenarios.Hyper-V Replica Essentials is for Windows Server administrators who want to improve their system availability and speed up disaster recovery. You will need experience in Hyper-V deployment because Hyper-V Replica is built in the Hyper-V platform.

  16. Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering.

    Science.gov (United States)

    Huang, Kun; García, Angel E

    2014-10-14

    The lateral heterogeneity of cellular membranes plays an important role in many biological functions such as signaling and regulating membrane proteins. This heterogeneity can result from preferential interactions between membrane components or interactions with membrane proteins. One major difficulty in molecular dynamics simulations aimed at studying the membrane heterogeneity is that lipids diffuse slowly and collectively in bilayers, and therefore, it is difficult to reach equilibrium in lateral organization in bilayer mixtures. Here, we propose the use of the replica exchange with solute tempering (REST) approach to accelerate lateral relaxation in heterogeneous bilayers. REST is based on the replica exchange method but tempers only the solute, leaving the temperature of the solvent fixed. Since the number of replicas in REST scales approximately only with the degrees of freedom in the solute, REST enables us to enhance the configuration sampling of lipid bilayers with fewer replicas, in comparison with the temperature replica exchange molecular dynamics simulation (T-REMD) where the number of replicas scales with the degrees of freedom of the entire system. We apply the REST method to a cholesterol and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayer mixture and find that the lateral distribution functions of all molecular pair types converge much faster than in the standard MD simulation. The relative diffusion rate between molecules in REST is, on average, an order of magnitude faster than in the standard MD simulation. Although REST was initially proposed to study protein folding and its efficiency in protein folding is still under debate, we find a unique application of REST to accelerate lateral equilibration in mixed lipid membranes and suggest a promising way to probe membrane lateral heterogeneity through molecular dynamics simulation.

  17. Recommendations for replica testing of high temperature components in power plant; Rekommendationer foer replikprovning av hoegtemperaturkomponenter i kraftanlaeggningar

    Energy Technology Data Exchange (ETDEWEB)

    Storesund, Jan [Det Norske Veritas AB, Stockholm (Sweden)

    2000-08-01

    Replica testing is a non-destructive testing method where the microstructure of the surface of a component is replicated. This involves careful metallographical preparation which in some points also should be adapted to the aims of the investigation. There are published guidelines for replica testing of high temperature components in power plant, for instance by Nordtest, but these may be considered to be insufficient to assure the required quality and reproducibility of the replicas. There are no certification systems for the replica method in Sweden as well as abroad and the experience has shown that differences in the performance that existing praxis can involve may give significant influence on the results when the replicas are evaluated. In the present project recommendations have been compiled for replica testing with regard to creep damage on occurring heat resistant steel types in Swedish power plants. The recommendations consist of guidelines for metallographical replication in the field and cover: - Test positions at weldments and pipe bends; - Equipment; - Rough and fine grinding; - Macro-etching; - Electrolytic and mechanical polishing; - Etching; - Replication; - Documentation and storage; - Personnel. They describe differences in the testing of the different materials and the purpose is to assure replica testing of the highest quality and reproducibility. The recommendations have been compiled by use of guidelines and company standards as a starting point. Some points in the recommendations refer to trials for verification which have been carried out within the frame of the project. The trials have been focused on the appearance of creep damage and microstructure in different established methods for polishing and etching. Comments and closer descriptions for some points of the test procedures are given in an appendix to the recommendations.

  18. Replica trick for rare samples

    Science.gov (United States)

    Rizzo, Tommaso

    2014-05-01

    In the context of disordered systems with quenched Hamiltonians I address the problem of characterizing rare samples where the thermal average of a specific observable has a value different from the typical one. These rare samples can be selected through a variation of the replica trick which amounts to replicating the system and dividing the replicas intwo two groups containing, respectively, M and -M replicas. Replicas in the first (second) group experience a positive (negative) small field O (1/M) conjugate to the observable considered and the M →∞ limit is to be taken in the end. Applications to the random-field Ising model and to the Sherrington-Kirkpatrick model are discussed.

  19. Method for nanomodulation of metallic thin films following the replica-antireplica process based on porous alumina membranes

    Science.gov (United States)

    Palma, J. L.; Denardin, J. C.; Escrig, J.

    2017-03-01

    In this paper we have introduced a method for modulation of metallic thin films by sputtering of metals on anodized aluminum templates. Using a high deposition rate during deposition of the non-magnetic metal on the Al pattern, we have separated the two metallic surfaces and, thus, imprinted a pattern of nanohills on a non-magnetic metallic film, such as Au, Ag or Cu. The morphology of the nanostructured metallic films was determined by scanning electron microscopy. Thus, we have confirmed that the ordering degree of the Al template remained after the replication process. Additionally, and as an example of use of these films, we have prepared Supermalloy thin films deposited by sputtering onto these nanostructured non-magnetic metals. The room temperature magnetic behavior of these thin films is also studied. Interestingly, we have found that when the external magnetic field is applied out of plane of the substrate, the coercivity increases linearly as we increase the radius of the nanohills. These soft magnetic films can open new opportunities for magnetic field sensor applications.

  20. Generating Scaled Replicas of Real-World Complex Networks

    CERN Document Server

    Staudt, Christian L; Safro, Ilya; Gutfraind, Alexander; Meyerhenke, Henning

    2016-01-01

    Research on generative models plays a central role in the emerging field of network science, studying how statistical patterns found in real networks can be generated by formal rules. During the last two decades, a variety of models has been proposed with an ultimate goal of achieving comprehensive realism for the generated networks. In this study, we (a) introduce a new generator, termed ReCoN; (b) explore how models can be fitted to an original network to produce a structurally similar replica, and (c) aim for producing much larger networks than the original exemplar. In a comparative experimental study, we find ReCoN often superior to many other state-of-the-art network generation methods. Our design yields a scalable and effective tool for replicating a given network while preserving important properties at both micro- and macroscopic scales and (optionally) scaling the replica by orders of magnitude in size. We recommend ReCoN as a general practical method for creating realistic test data for the enginee...

  1. Injection Compression Molding of Replica Molds for Nanoimprint Lithography

    Directory of Open Access Journals (Sweden)

    Keisuke Nagato

    2014-03-01

    Full Text Available As a breakthrough in the cost and durability of molds for nanoimprint lithography (NIL, replica molds are fabricated by injection compression molding (ICM. ICM is commonly used for optical disks such as DVDs or Blu-ray disks and is also a practical fabrication method for nanostructures. In this paper, I successfully demonstrated the fabrication of cycloolefin polymer replica molds with structures smaller than 60 nm by ICM. Furthermore, ultraviolet (UV-NIL using these replica molds was demonstrated. UV-cured resist was replicated over an area of 60 mm diameter. The degree of replication by UV-NIL in the first usage of each replica mold had good repeatability. Because ICM is a high-throughput, low-cost process, the replica mold can be disposed of after a certain time for UV-NIL. This method leads to a high-integrity UV-NIL process of patterned media because multiple large-area replica molds can be fabricated simultaneously.

  2. Bayesian ensemble refinement by replica simulations and reweighting.

    Science.gov (United States)

    Hummer, Gerhard; Köfinger, Jürgen

    2015-12-28

    We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

  3. A Hamiltonian replica exchange molecular dynamics (MD) method for the study of folding, based on the analysis of the stabilization determinants of proteins.

    Science.gov (United States)

    Meli, Massimiliano; Colombo, Giorgio

    2013-06-06

    Herein, we present a novel Hamiltonian replica exchange protocol for classical molecular dynamics simulations of protein folding/unfolding. The scheme starts from the analysis of the energy-networks responsible for the stabilization of the folded conformation, by means of the energy-decomposition approach. In this framework, the compact energetic map of the native state is generated by a preliminary short molecular dynamics (MD) simulation of the protein in explicit solvent. This map is simplified by means of an eigenvalue decomposition. The highest components of the eigenvector associated with the lowest eigenvalue indicate which sites, named "hot spots", are likely to be responsible for the stability and correct folding of the protein. In the Hamiltonian replica exchange protocol, we use modified force-field parameters to treat the interparticle non-bonded potentials of the hot spots within the protein and between protein and solvent atoms, leaving unperturbed those relative to all other residues, as well as solvent-solvent interactions. We show that it is possible to reversibly simulate the folding/unfolding behavior of two test proteins, namely Villin HeadPiece HP35 (35 residues) and Protein A (62 residues), using a limited number of replicas. We next discuss possible implications for the study of folding mechanisms via all atom simulations.

  4. A Hamiltonian Replica Exchange Molecular Dynamics (MD Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins

    Directory of Open Access Journals (Sweden)

    Massimiliano Meli

    2013-06-01

    Full Text Available Herein, we present a novel Hamiltonian replica exchange protocol for classical molecular dynamics simulations of protein folding/unfolding. The scheme starts from the analysis of the energy-networks responsible for the stabilization of the folded conformation, by means of the energy-decomposition approach. In this framework, the compact energetic map of the native state is generated by a preliminary short molecular dynamics (MD simulation of the protein in explicit solvent. This map is simplified by means of an eigenvalue decomposition. The highest components of the eigenvector associated with the lowest eigenvalue indicate which sites, named “hot spots”, are likely to be responsible for the stability and correct folding of the protein. In the Hamiltonian replica exchange protocol, we use modified force-field parameters to treat the interparticle non-bonded potentials of the hot spots within the protein and between protein and solvent atoms, leaving unperturbed those relative to all other residues, as well as solvent-solvent interactions. We show that it is possible to reversibly simulate the folding/unfolding behavior of two test proteins, namely Villin HeadPiece HP35 (35 residues and Protein A (62 residues, using a limited number of replicas. We next discuss possible implications for the study of folding mechanisms via all atom simulations.

  5. Reordering hydrogen bonds using hamiltonian replica exchange enhances sampling of conformational changes in biomolecular systems.

    Science.gov (United States)

    Vreede, Jocelyne; Wolf, Maarten G; de Leeuw, Simon W; Bolhuis, Peter G

    2009-05-07

    Hydrogen bonds play an important role in stabilizing (meta-)stable states in protein folding. Hence, they can potentially be used as a way to bias these states in molecular simulation methods. Previously, Wolf et al. showed that applying repulsive and attractive hydrogen bond biasing potentials in an alternating way significantly accelerates the folding process (Wolf, M. G.; de Leeuw, S. W. Biophys. J. 2008, 94, 3742). As the biasing potentials are only active during a fixed time interval, this alternating scheme does not represent a thermodynamic equilibrium. In this work, we present a Hamiltonian replica exchange molecular dynamics (REMD) scheme that aims to shuffle and reorder hydrogen bonds in the protein backbone. We therefore apply adapted hydrogen bond potentials in a Hamiltonian REMD scheme, which we call hydrogen bond switching (HS). To compare the performance of the HS to a standard REMD method, we performed HS and temperature REMD simulations of a beta-heptapeptide in methanol. Both methods sample the conformational space to a similar extent. As the HS simulation required only five replicas, while the REMD simulation required 20 replicas, the HS method is significantly more efficient. We tested the HS method also on a larger system, 16-residue polyalanine in water. Both of the simulations starting from a completely unfolded and a folded conformation resulted in an ensemble with, apart from the starting structure, similar conformational minima. We can conclude that the HS method provides an efficient way to sample the conformational space of a protein, without requiring knowledge of the folded states beforehand. In addition, these simulations revealed that convergence was hampered by replicas having a preference for specific biasing potentials. As this sorting effect is inherent to any Hamiltonian REMD method, finding a solution will result in an additional increase in the efficiency of Hamiltonian REMD methods in general.

  6. Replica location mechanism in data grid based on ED-Chord

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A peer-to-peer hierarchical replica location mechanism(PRLM)was designed for data grids to provide better load balancing capability and scalability.Global replica indexes of the PRLM are organized based on even distributed Chord(ED-Chord)structure.The locality can optimize queries on local replica indexes of virtual organizations.ED-Chord protocol collects the node identifiers information using a distributed method and assigns optimal identifiers for new nodes to make them more uniformly distributed in the entire identifier space.Theoretical analysis and simulations show that PRLM provides good performance,scalability and load balancing capability for replica location in data grids.

  7. Replica trick and string winding

    Science.gov (United States)

    Prudenziati, Andrea; Trancanelli, Diego

    2017-07-01

    We apply the replica trick to compute the entropy of a cylinder amplitude in string theory. We focus on the contribution from nonperturbative winding modes and impose tadpole cancellation to understand the correct prescription for integrating over moduli. Choosing the entangling surface to cut longitudinally over the whole length of the cylinder, we obtain an answer that is interpreted as the entropy of a density matrix. We recast this result in target space language, in both the open and closed string picture.

  8. Standard practice for production and evaluation of field metallographic replicas

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2001-01-01

    1.1 This practice covers recognized methods for the preparation and evaluation of cellulose acetate or plastic film replicas which have been obtained from metallographically prepared surfaces. It is designed for the evaluation of replicas to ensure that all significant features of a metallographically prepared surface have been duplicated and preserved on the replica with sufficient detail to permit both LM and SEM examination with optimum resolution and sensitivity. 1.2 This practice may be used as a controlling document in commercial situations. 1.3 The values stated in SI units are to be regarded as the standard. Inch-pound units given in parentheses are for information only. 1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  9. Time evolution of the autocorrelation function in dynamical replica theory

    Science.gov (United States)

    Sakata, A.

    2013-04-01

    Asynchronous dynamics given by the master equation in the Sherrington-Kirkpatrick (SK) spin-glass model is studied based on dynamical replica theory (DRT) with an extension to take into account the autocorrelation function. The dynamical behaviour of the system is approximately described by dynamical equations of the macroscopic quantities: magnetization, energy contributed by randomness and the autocorrelation function. The dynamical equations under the replica symmetry assumption are derived by introducing the subshell equipartitioning assumption and exploiting the replica method. The obtained dynamical equations are compared with Monte Carlo simulations, and it is demonstrated that the proposed formula describes well the time evolution of the autocorrelation function in some parameter regions. The study offers a reasonable description of the autocorrelation function in the SK spin-glass system.

  10. Grid-based precision aim system and method for disrupting suspect objects

    Science.gov (United States)

    Gladwell, Thomas Scott; Garretson, Justin; Hobart, Clinton G.; Monda, Mark J.

    2014-06-10

    A system and method for disrupting at least one component of a suspect object is provided. The system has a source for passing radiation through the suspect object, a grid board positionable adjacent the suspect object (the grid board having a plurality of grid areas, the radiation from the source passing through the grid board), a screen for receiving the radiation passing through the suspect object and generating at least one image, a weapon for deploying a discharge, and a targeting unit for displaying the image of the suspect object and aiming the weapon according to a disruption point on the displayed image and deploying the discharge into the suspect object to disable the suspect object.

  11. Evaluation of internal adaptation in ceramic and composite resin inlays by silicon replica technique.

    Science.gov (United States)

    Karakaya, S; Sengun, A; Ozer, F

    2005-06-01

    This study was aimed at investigating the internal adaptation of a ceramic (Ceramco II) and two composite resin inlay materials (SureFil and 3M Filtek Z 250) using silicon replica technique as an indicator. Forty-five standard mesial-occlusal-distal (MOD) cavities were prepared into brass moulds by using computer numerically controlled system. Inlays were prepared according to manufacturers' instructions with indirect methods. Replicas of the prepared cavities and inlays were produced with a polyvinyl siloxane material (Elite H-D). The spaces between inlays and cavities were filled by different coloured light-body polyvinyl siloxane material. Two parallel slices (mesio-distally) were obtained from the replicas with a sharp blade. Different coloured polyvinyl siloxane material thickness between cavity and inlay was measured at seven points (mesial, occlusal and distal). The data were evaluated with anova and Tukey's honestly significantly different (HSD) statistical tests. In the SureFil and Ceramco II groups, the sizes of the contraction gaps at mesial and distal gingival floors were greater than that of the occlusal marginal walls. In comparison of gap formation at occlusal regions, while the 3M composite group showed highest gap values (204.33 +/- 75.45 microm), the Ceramco II group revealed the lowest (141.17 +/- 23.66 microm) (P 0.05). In conclusion, our results showed that ceramic inlays did not confer any big advantage for internal adaptation over the composite inlays.

  12. Porous Aluminas: The bio template method for the synthesis of stable high surface area aluminas; Aluminas porosas: El metodo de bio-replica para la sintesis de aluminas estables de alta superficie especifica

    Energy Technology Data Exchange (ETDEWEB)

    Benitez Guerrero, M.; Perez Maqueda, L.; Pena Castro, P.; Pascual Cosp, J.

    2013-07-01

    Development of porous alumina has been the objective of numerous studies in recent decades, due to the intrinsic properties of aluminium oxide, such as high melting point, low thermal conductivity, chemical inertness and corrosion resistance which, in addition to a high surface area and permeability, make aluminas being used for many different industrial and technical applications. The crystallographic and textural stability of alumina acquires significant importance in those processes involving high temperatures; however, most of the synthesis methods yield metastable oxides of little interest in high-temperature processes due to the transformation to alpha phase, with the consequent reduction in surface area. The present article reviews diverse procedures for obtaining porous alumina with high specific surface area, including methods and strategies for preparing high surface alpha-alumina. Within this framework, the paper analyzes the results obtained through bio replica of lignocellulose materials. This technology allows preparing aluminas with the complex structural hierarchy of the lignocellulose templates. (Author)

  13. Replica trick and string winding

    CERN Document Server

    Prudenziati, Andrea

    2016-01-01

    We apply the replica trick to compute the entropy of a cylinder amplitude in string theory. We focus on the contribution from non-perturbative winding modes and impose tadpole cancellation to understand the correct prescription for integrating over moduli. Choosing the entangling surface to cut longitudinally over the whole length of the cylinder, we obtain an answer that is interpreted as the entropy of a density matrix. We recast this result in target space language, both in the open and closed string picture.

  14. Fractographic ceramic failure analysis using the replica technique

    Science.gov (United States)

    Scherrer, Susanne S.; Quinn, Janet B.; Quinn, George D.; Anselm Wiskott, H. W.

    2007-01-01

    Objectives To demonstrate the effectiveness of in vivo replicas of fractured ceramic surfaces for descriptive fractography as applied to the analysis of clinical failures. Methods The fracture surface topography of partially failed veneering ceramic of a Procera Alumina molar and an In Ceram Zirconia premolar were examined utilizing gold-coated epoxy poured replicas viewed using scanning electron microscopy. The replicas were inspected for fractographic features such as hackle, wake hackle, twist hackle, compression curl and arrest lines for determination of the direction of crack propagation and location of the origin. Results For both veneering ceramics, replicas provided an excellent reproduction of the fractured surfaces. Fine details including all characteristic fracture features produced by the interaction of the advancing crack with the material's microstructure could be recognized. The observed features are indicators of the local direction of crack propagation and were used to trace the crack's progression back to its initial starting zone (the origin). Drawbacks of replicas such as artifacts (air bubbles) or imperfections resulting from inadequate epoxy pouring were noted but not critical for the overall analysis of the fractured surfaces. Significance The replica technique proved to be easy to use and allowed an excellent reproduction of failed ceramic surfaces. It should be applied before attempting to remove any failed part remaining in situ as the fracture surface may be damaged during this procedure. These two case studies are intended as an introduction for the clinical researcher in using qualitative (descriptive) fractography as a tool for understanding fracture processes in brittle restorative materials and, secondarily, to draw conclusions as to possible design inadequacies in failed restorations. PMID:17270267

  15. Finite size corrections in the random energy model and the replica approach

    Science.gov (United States)

    Derrida, Bernard; Mottishaw, Peter

    2015-01-01

    We present a systematic and exact way of computing finite size corrections for the random energy model, in its low temperature phase. We obtain explicit (though complicated) expressions for the finite size corrections of the overlap functions. In its low temperature phase, the random energy model is known to exhibit Parisi's broken symmetry of replicas. The finite size corrections given by our exact calculation can be reproduced using replicas if we make specific assumptions about the fluctuations (with negative variances!) of the number and sizes of the blocks when replica symmetry is broken. As an alternative we show that the exact expression for the non-integer moments of the partition function can be written in terms of coupled contour integrals over what can be thought of as ‘complex replica numbers’. Parisi's one step replica symmetry breaking arises naturally from the saddle point of these integrals without making any ansatz or using the replica method. The fluctuations of the ‘complex replica numbers’ near the saddle point in the imaginary direction correspond to the negative variances we observed in the replica calculation. Finally our approach allows one to see why some apparently diverging series or integrals are harmless.

  16. Hamiltonian replica-exchange simulations with adaptive biasing of peptide backbone and side chain dihedral angles.

    Science.gov (United States)

    Ostermeir, Katja; Zacharias, Martin

    2014-01-15

    A Hamiltonian Replica-Exchange Molecular Dynamics (REMD) simulation method has been developed that employs a two-dimensional backbone and one-dimensional side chain biasing potential specifically to promote conformational transitions in peptides. To exploit the replica framework optimally, the level of the biasing potential in each replica was appropriately adapted during the simulations. This resulted in both high exchange rates between neighboring replicas and improved occupancy/flow of all conformers in each replica. The performance of the approach was tested on several peptide and protein systems and compared with regular MD simulations and previous REMD studies. Improved sampling of relevant conformational states was observed for unrestrained protein and peptide folding simulations as well as for refinement of a loop structure with restricted mobility of loop flanking protein regions.

  17. File-based replica management

    CERN Document Server

    Kunszt, Peter Z; Stockinger, Heinz; Stockinger, Kurt

    2005-01-01

    Data replication is one of the best known strategies to achieve high levels of availability and fault tolerance, as well as minimal access times for large, distributed user communities using a world-wide Data Grid. In certain scientific application domains, the data volume can reach the order of several petabytes; in these domains, data replication and access optimization play an important role in the manageability and usability of the Grid. In this paper, we present the design and implementation of a replica management Grid middleware that was developed within the EDG project left bracket European Data Grid Project (EDG), http://www.eu-egee.org right bracket and is designed to be extensible so that user communities can adjust its detailed behavior according to their QoS requirements.

  18. Evaluation of methods aimed at complete removal of template from molecularly imprinted polymers

    NARCIS (Netherlands)

    Ellwanger, A; Berggren, C; Bayoudh, S; Crecenzi, C; Karlsson, L; Owens, PK; Ensing, K; Cormack, P; Sherrington, D; Sellergren, B

    2001-01-01

    Polymers imprinted with clenbuterol were used to study the influence of various post-polymerization treatments [e.g., thermal annealing, microwave assisted extraction (MAE), Soxhlet extraction and supercritical fluid template desorption] on the bleeding of residual template. The aim of the study was

  19. Evaluation of methods aimed at complete removal of template from molecularly imprinted polymers

    NARCIS (Netherlands)

    Ellwanger, A; Berggren, C; Bayoudh, S; Crecenzi, C; Karlsson, L; Owens, PK; Ensing, K; Cormack, P; Sherrington, D; Sellergren, B

    2001-01-01

    Polymers imprinted with clenbuterol were used to study the influence of various post-polymerization treatments [e.g., thermal annealing, microwave assisted extraction (MAE), Soxhlet extraction and supercritical fluid template desorption] on the bleeding of residual template. The aim of the study was

  20. Fret Replica Inspection Laser Scanner (FRILS)

    Energy Technology Data Exchange (ETDEWEB)

    Kretz, S.; Hanley, K., E-mail: steve.kretz@opg.com, E-mail: kelly.hanley@opg.com [Ontario Power Generation, Inspection Maintenance and Commercial Services, Pickering, Ontario (Canada)

    2008-07-01

    In the stress analysis of flaws and artifacts found in pressure tubes, it is crucial to have detailed knowledge of the flaw geometry. Fuel channel inspections by ultrasonic or eddy current inspection methods alone cannot provide the complete required geometry information. Replicas, which are a negative impression of surface pressure tube indications, are scanned with a laser system which will provide the additional detail required. FRILS was initially developed in 1993 to establish in-house capability of profiling indications on the inside diameter surface of pressure tubes. The need of this profiling was initially a response to the discovery of fuel bundle bearing pad fretting (FBBPF) caused by flow induced fuel bundle vibration. The benefits of the system were soon realized as a tool for profiling debris type indications. Although the primary use of FRILS is to profile FBBBF and Debris Fretting, since its inception the FRILS inspection system has become an instrumental tool in flaw assessment for: Fuel Bundle Bearing Pad Frets (FBBPF); Debris Frets; Scratches; Crevice Corrosion; Oxide Jacking; Areas of surface roughness; and, Weld Profiling. Replicas are collected via acquisition from tooling on both the Channel and Gauging Apparatus for Reactors (CIGAR) and the Advanced Non-Destructive Examination (ANDE) systems. The ANDE system is a high speed data acquisition system which includes both an ultrasonic inspection tool and a replication tool. Although both of these tools were designed to be delivered with the UDM, the platform for these tools was built with flexibility allowing for adoption to other delivery systems. These tools were based on the experience of the CIGAR inspection system. The CIGAR system has also undergone many system upgrades resulting in reduced inspection times. The FRILS system - Fret Replication Inspection Laser Scanner system was developed and has been upgraded to meet the demands of the improved inspection and replication systems. FRILS

  1. The Aims, Methods, and Effects of Deliberative Civic Education through the National Issues Forums.

    Science.gov (United States)

    Gastil, John; Dillard, James P.

    1999-01-01

    Examines the goals, methods, and effects of four current deliberative civic education programs, with an in-depth analysis of one: the National Issues Forums (NIF). Shows that NIF can bolster participants' political self-efficacy, refine their political judgments, broaden their political conversation networks, and reduce their conversational…

  2. Psychological Benefits of Nonpharmacological Methods Aimed for Improving Balance in Parkinson's Disease: A Systematic Review.

    Science.gov (United States)

    Šumec, Rastislav; Filip, Pavel; Sheardová, Kateřina; Bareš, Martin

    2015-01-01

    Parkinson's disease (PD) is a serious condition with a major negative impact on patient's physical and mental health. Postural instability is one of the cardinal difficulties reported by patients to deal with. Neuroanatomical, animal, and clinical studies on nonparkinsonian and parkinsonian subjects suggest an important correlation between the presence of balance dysfunction and multiple mood disorders, such as anxiety, depression, and apathy. Considering that balance dysfunction is a very common symptom in PD, we can presume that by its management we could positively influence patient's state of mind too. This review is an analysis of nonpharmacological methods shown to be effective and successful for improving balance in patients suffering from PD. Strategies such as general exercise, robotic assisted training, Tai Chi, Qi Gong, Yoga, dance (such as tango or ballet), box, virtual reality-based, or neurofeedback-based techniques and so forth can significantly improve the stability in these patients. Beside this physical outcome, many methods have also shown effect on quality of life, depression level, enjoyment, and motivation to continue in practicing the method independently. The purpose of this review is to provide information about practical and creative methods designed to improve balance in PD and highlight their positive impact on patient's psychology.

  3. A Method for User Centering Systematic Product Development Aimed at Industrial Design Students

    Science.gov (United States)

    Coelho, Denis A.

    2010-01-01

    Instead of limiting the introduction and stimulus for new concept creation to lists of specifications, industrial design students seem to prefer to be encouraged by ideas in context. A new method that specifically tackles human activity to foster the creation of user centered concepts of new products was developed and is presented in this article.…

  4. The LIFE Project “Monitoring of insects with public participation” (MIPP: aims, methods and conclusions

    Directory of Open Access Journals (Sweden)

    Giuseppe Maria Carpaneto

    2017-08-01

    Full Text Available The Life Project “Monitoring of insects with public participation” (LIFE11 NAT/IT/000252 had as the main objective to develop and test methods for the monitoring of five beetle species listed in the Annexes of the Habitats Directive (92/43/EEC: Osmoderma eremita (hermit beetle, Scarabaeidae, Lucanus cervus (European stag beetle, Lucanidae, Cerambyx cerdo (great capricorn beetle, Cerambycidae, Rosalia alpina (rosalia longicorn, Cerambycidae and Morimus asper/funereus (morimus longicorn, Cerambycidae. The data gathered represent an important contribution to the monitoring of these target species in Italy. The methods developed for monitoring of the target species are intended for use by the local management authorities and staff of protected areas. These developed methods are the result of extensive fieldwork and ensure scientific validity, ease of execution and limited labour costs. The detailed description of methods and the results for each species are published in separate articles of this special issue of Nature Conservation. A second objective of the project was to gather faunistic data with a Citizen Science approach, using the web and a mobile application software (app specifically built for mobile devices. The validation of the records collected by the citizens was carried out by experts, based on photographs, which were obligatory for all records. Dissemination activities represented the principal way to contact and engage citizens for the data collection and also offered the possibility of providing information on topics such as Natura 2000, the Habitats Directive, the role of monitoring in nature conservation, the importance of forest ecosystems and the ecological role of the saproxylic insects. An innovative method tested during the project was the training of a dog for searching and monitoring the elusive hermit beetle; the trained dog also added a “curiosity” factor to attract public attention towards this rare insect and

  5. Investigations on pelagic food webs in mountain lakes - aims and methods

    Directory of Open Access Journals (Sweden)

    Jirí NEDOMA

    1999-08-01

    Full Text Available A methodical approach for the assessment of pelagic biomass and the main carbon fluxes in remote and hardly accessible mountain lakes was elaborated and tested. Number and biomass of bacteria (BAC, autotrophic picoplankton (APP, heterotrophic nanoflagellates (HNF, ciliates (CIL, phytoplankton (PHY, zooplankton smaller than 40 μm (ZOOS and zooplankton larger than 40 μm (ZOOL were investigated regularly during two ice-free periods in 13 European mountain lakes (1st level approach – fixed samples elaborated in specialized laboratories. Carbon fluxes measured in 9 lakes included: primary production, exudation by PHY and BAC uptake of exudates, BAC production, elimination of BAC. These processes were measured in the field by specialized teams (2nd level approach. The ranges of values found in mountain lakes were evaluated and possible methodical and interpretative errors discussed. BAC were a significant component of pelagic biomass. The intercomparison between different partners showed differences in bacterial counts lower than 10%, whereas the mean cell volumes measured fluctuated by more than 40%. APP was never found in a significant quantity, except in one lake. HNF and CIL, though regularly found, were usually scarce and only occasionally significant in terms of biomass. The main components of pelagic biomass were BAC, PHY and ZOOL+ZOOS, except for acidified lakes, where zooplankton was very low. In oligotrophic mountain lakes, the percentage of extracellular production in the total primary production was considerable. Bacterial abundance and production often reached values quite comparable with the situation found in lowland mesotrophic lakes during winter.

  6. Fabrication of the replica templated from butterfly wing scales with complex light trapping structures

    Science.gov (United States)

    Han, Zhiwu; Li, Bo; Mu, Zhengzhi; Yang, Meng; Niu, Shichao; Zhang, Junqiu; Ren, Luquan

    2015-11-01

    The polydimethylsiloxane (PDMS) positive replica templated twice from the excellent light trapping surface of butterfly Trogonoptera brookiana wing scales was fabricated by a simple and promising route. The exact SiO2 negative replica was fabricated by using a synthesis method combining a sol-gel process and subsequent selective etching. Afterwards, a vacuum-aided process was introduced to make PDMS gel fill into the SiO2 negative replica, and the PDMS gel was solidified in an oven. Then, the SiO2 negative replica was used as secondary template and the structures in its surface was transcribed onto the surface of PDMS. At last, the PDMS positive replica was obtained. After comparing the PDMS positive replica and the original bio-template in terms of morphology, dimensions and reflectance spectra and so on, it is evident that the excellent light trapping structures of butterfly wing scales were inherited by the PDMS positive replica faithfully. This bio-inspired route could facilitate the preparation of complex light trapping nanostructure surfaces without any assistance from other power-wasting and expensive nanofabrication technologies.

  7. Control methods for cattle feedstuffs aimed at prevention of Bovine spongiform encephalopathy (BSE

    Directory of Open Access Journals (Sweden)

    Nešić Ksenija

    2006-01-01

    Full Text Available In the course of the last decades of the twentieth century, more than 30 new diseases were determined for the first time in history. Bovine spongiform encephalopathy (BSE, or "mad cow disease" is one of them. The disease implies the subacute neurodegenerative transmission of spongiform encephalopathy and it was diagnosed and described for the first time in Great Britain in 1986. A theory has been established that BSE is spread through feedstuffs, more precisely, meat-bone flour which contains infective proteins of ruminants, and legislature has been passed throughout the world with the objective of preventing the entry of meat-bone flour into the food chain. The complete ban of the use of meat-bone flour for all farm animals (with the exception of fish flour for non-ruminants and an adequate thermal treatment in the production of meat-bone flour (133ºC, 3 bar, 20 min are the elements on which the European Union (EU legislature is based. The regulations in our country include a ban on the use of meat-bone flour in cattle feedstuffs and a ban on imports of beef proteins. The implementation of this legislature throughout the world requires the corresponding analytical means. At the present time, there are several available possibilities: optic microscopy, PCR, immunoprobes, spectroscopic methods, and several others which are still being examined for use for this purpose. All the analytical methods are being applied with the objective of controlling the implementation of the current regulations, but also in order to discover possible cross contamination that could take place in factories of animal feedstuffs, during transportation, storage, or on farms, in particular when there are no separate lines for feedstuffs that contains meat-bone flour and others in which even its traces are banned. In order to secure the successful control and prevention of bovine spongiform encephalopathy in our country, as well as to secure the unhindered continuation of

  8. Conformational sampling enhancement of replica exchange molecular dynamics simulations using swarm particle intelligence

    Energy Technology Data Exchange (ETDEWEB)

    Kamberaj, Hiqmet, E-mail: hkamberaj@ibu.edu.mk [Department of Computer Engineering, International Balkan University, Tashko Karadza 11A, Skopje (Macedonia, The Former Yugoslav Republic of)

    2015-09-28

    In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4,  5, and 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias.

  9. An adaptive range-query optimization technique with distributed replicas

    Institute of Scientific and Technical Information of China (English)

    Sayar Ahmet; Pierce Marlon; Fox C.Geoffrey

    2014-01-01

    Replication is an approach often used to speed up the execution of queries submitted to a large dataset. A compile-time/run-time approach is presented for minimizing the response time of 2-dimensional range when a distributed replica of a dataset exists. The aim is to partition the query payload (and its range) into subsets and distribute those to the replica nodes in a way that minimizes a client’s response time. However, since query size and distribution characteristics of data (data dense/sparse regions) in varying ranges are not known a priori, performing efficient load balancing and parallel processing over the unpredictable workload is difficult. A technique based on the creation and manipulation of dynamic spatial indexes for query payload estimation in distributed queries was proposed. The effectiveness of this technique was demonstrated on queries for analysis of archived earthquake-generated seismic data records.

  10. The Collaborative Lithium Trials (CoLT: specific aims, methods, and implementation

    Directory of Open Access Journals (Sweden)

    Hooper Stephen R

    2008-08-01

    Full Text Available Abstract Background Lithium is a benchmark treatment for bipolar illness in adults. However, there has been relatively little methodologically stringent research regarding the use of lithium in youth suffering from bipolarity. Methods Under the auspices of the Best Pharmaceuticals for Children Act (BPCA, a Written Request (WR pertaining to the study of lithium in pediatric mania was issued by the United States Food and Drug Administration (FDA to the National Institute of Child Health and Human Development (NICHD in 2004. Accordingly, the NICHD issued a Request for Proposals (RFP soliciting submissions to pursue this research. Subsequently, the NICHD awarded a contract to a group of investigators in order to conduct these studies. Results The Collaborative Lithium Trials (CoLT investigators, the BPCA-Coordinating Center, and the NICHD developed protocols to provide data that will: (1 establish evidence-based dosing strategies for lithium; (2 characterize the pharmacokinetics and biodisposition of lithium; (3 examine the acute efficacy of lithium in pediatric bipolarity; (4 investigate the long-term effectiveness of lithium treatment; and (5 characterize the short- and long-term safety of lithium. By undertaking two multi-phase trials rather than multiple single-phase studies (as was described in the WR, the feasibility of the research to be undertaken was enhanced while ensuring all the data outlined in the WR would be obtained. The first study consists of: (1 an 8-week open-label, randomized, escalating dose Pharmacokinetic Phase; (2 a 16-week Long-Term Effectiveness Phase; (3 a 28-week double-blind Discontinuation Phase; and (4 an 8-week open-label Restabilization Phase. The second study consists of: (1 an 8-week, double-blind, parallel-group, placebo-controlled Efficacy Phase; (2 an open-label Long-Term Effectiveness lasting either 16 or 24 weeks (depending upon blinded treatment assignment during the Efficacy Phase; (3 a 28-week double

  11. On the Application of Replica Molding Technology for the Indirect Measurement of Surface and Geometry of Micromilled Components

    DEFF Research Database (Denmark)

    Baruffi, Federico; Parenti, Paolo; Cacciatore, Francesco

    2017-01-01

    the replica molding technology. The method consists of obtaining a replica of the feature that is inaccessible for standard measurement devices and performing its indirect measurement. This paper examines the performance of a commercial replication media applied to the indirect measurement of micromilled...

  12. Aims & Scope

    Institute of Scientific and Technical Information of China (English)

    2014-01-01

    Asian Pacific Journal of Tropical Biomedicine(APJTB)aims to set up and provide an international academic communication platform for physicians,medical scientists,allied health scientists and public health workers,especially those in the Asian Pacific region and worldwide on tropical biomedicine,infectious diseases and public health,and to meet the growing challenges

  13. Aims & Scope

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    <正>Asian Pacific Journal of Tropical Biomedicine(APJTB)aims to set up and provide an international academic communication platform for physicians,medical scientists,allied health scientists and public health workers,especially those in the Asian Pacific region and worldwide on tropical biomedicine,infectious diseases and public health,and to meet the growing challenges of understanding,preventing and controlling the dramatic global emergence and reemergence of infectious diseases in the Asian Pacific region.

  14. Aims & Scope

    Institute of Scientific and Technical Information of China (English)

    2013-01-01

    <正>Asian Pacific Journal of Tropical Biomedicine(APJTB)aims to set up and provide an international academic communication platform for physicians,medical scientists,allied health scientists and public health workers,especially those in the Asian Pacific region and worldwide on tropical biomedicine,infectious diseases and public health,and to meet the growing challenges of understanding,preventing and controlling the dramatic global emergence and reemergence of infectious diseases in the Asian Pacific region.

  15. Accelerating the convergence of replica exchange simulations using Gibbs sampling and adaptive temperature sets

    CERN Document Server

    Vogel, Thomas

    2015-01-01

    We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of relevant states through the whole ensemble of replicas. This mechanism depends on the knowledge of global thermodynamic functions which are measured during the simulation and not coupled to the heat bath temperatures driving the individual simulations. Therefore, this setup also allows for a continuous adaptation of the temperature set. In this paper, we will review the new scheme and demonstrate its capability. The method is particularly useful for the fast and reliable estimation of the microcanonical temperature T(U) or, equivalently, of the density of states g(U) over a wide range of energies.

  16. Replica inference approach to unsupervised multiscale image segmentation.

    Science.gov (United States)

    Hu, Dandan; Ronhovde, Peter; Nussinov, Zohar

    2012-01-01

    We apply a replica-inference-based Potts model method to unsupervised image segmentation on multiple scales. This approach was inspired by the statistical mechanics problem of "community detection" and its phase diagram. Specifically, the problem is cast as identifying tightly bound clusters ("communities" or "solutes") against a background or "solvent." Within our multiresolution approach, we compute information-theory-based correlations among multiple solutions ("replicas") of the same graph over a range of resolutions. Significant multiresolution structures are identified by replica correlations manifest by information theory overlaps. We further employ such information theory measures (such as normalized mutual information and variation of information), thermodynamic quantities such as the system entropy and energy, and dynamic measures monitoring the convergence time to viable solutions as metrics for transitions between various solvable and unsolvable phases. Within the solvable phase, transitions between contending solutions (such as those corresponding to segmentations on different scales) may also appear. With the aid of these correlations as well as thermodynamic measures, the phase diagram of the corresponding Potts model is analyzed at both zero and finite temperatures. Optimal parameters corresponding to a sensible unsupervised segmentations appear within the "easy phase" of the Potts model. Our algorithm is fast and shown to be at least as accurate as the best algorithms to date and to be especially suited to the detection of camouflaged images.

  17. Two phase decision algorithm of replica allocation

    Institute of Scientific and Technical Information of China (English)

    Zuo Chaoshu; Liu Xinsong; Wang Zheng; Li Yi

    2006-01-01

    In distributed parallel server system, location and redundancy of replicas have great influence on availability and efficiency of the system. In order to improve availahility and efficiency of the system, two phase decision algorithm of replica allocation is proposed. The algorithm which makes use of auto-regression model dynamically predicts the future count of READ and WRITE operation, and then determines location and redundancy of replicas by considering availability, CPU and bands of the network. The algorithm can not only ensure the requirement of availability, but also reduce the system resources consumed by all the operations in a great scale. Analysis and test show that communication complexity and time complexity of the algorithm satisfy O( n ), resource optimizing scale increases with the increase of READ count.

  18. Generalized gravitational entropy without replica symmetry

    Science.gov (United States)

    Camps, Joan; Kelly, William R.

    2015-03-01

    We explore several extensions of the generalized entropy construction of Lewkowycz and Maldacena, including a formulation that does not rely on preserving replica symmetry in the bulk. We show that an appropriately general ansatz for the analytically continued replica metric gives us the flexibility needed to solve the gravitational field equations beyond general relativity. As an application of this observation we study EinsteinGauss-Bonnet gravity with a small Gauss-Bonnet coupling and derive the condition that the holographic entanglement entropy must be evaluated on a surface which extremizes the Jacobson-Myers entropy. We find that in both general relativity and Einstein-Gauss-Bonnet gravity replica symmetry breaking terms are permitted by the field equations, suggesting that they do not generically vanish.

  19. Generalized gravitational entropy without replica symmetry

    CERN Document Server

    Camps, Joan

    2014-01-01

    We explore several extensions of the generalized entropy construction of Lewkowycz and Maldacena, including a formulation that does not rely on preserving replica symmetry in the bulk. We show that an appropriately general ansatz for the analytically continued replica metric gives us the flexibility needed to solve the gravitational field equations beyond general relativity. As an application of this observation we study Einstein-Gauss-Bonnet gravity with a small Gauss-Bonnet coupling and derive the condition that the holographic entanglement entropy must be evaluated on a surface which extremizes the Jacobson-Myers entropy. We find that in both general relativity and Einstein-Gauss-Bonnet gravity replica symmetry breaking terms are permitted by the field equations, suggesting that they do not generically vanish.

  20. A simple asynchronous replica-exchange implementation

    CERN Document Server

    Bussi, Giovanni

    2008-01-01

    We discuss the possibility of implementing asynchronous replica-exchange (or parallel tempering) molecular dynamics. In our scheme, the exchange attempts are driven by asynchronous messages sent by one of the computing nodes, so that different replicas are allowed to perform a different number of time-steps between subsequent attempts. The implementation is simple and based on the message-passing interface (MPI). We illustrate the advantages of our scheme with respect to the standard synchronous algorithm and we benchmark it for a model Lennard-Jones liquid on an IBM-LS21 blade center cluster.

  1. An ingenious replica templated from the light trapping structure in butterfly wing scales

    Science.gov (United States)

    Han, Zhiwu; Niu, Shichao; Yang, Meng; Zhang, Junqiu; Yin, Wei; Ren, Luquan

    2013-08-01

    Although the physical mechanism of light trapping property of butterfly wings is well understood, it remains a challenge to create artificial replicas of these natural functional structures. Here, we synthesized a SiO2 inverse replica of a light trapping structure in butterfly wing scales using a method combining a sol-gel process and subsequent selective etching. First, the reflectance spectrum was taken to measure the reflectivity. Then, FESEM and TEM were used to observe the coupling structure of scales and the replicas. Afterwards, assisted by SEM and TEM data, 3D optimized models of the structures and fabrication process were generated by software. Finally, the parametric comparisons of the morphologies and structures between the original template and the inverse SiO2 replica were carefully conducted, and it was found that the original structures of bio-templates were well inherited by the structures of the inverse replica. This work would open up possibilities for an extensive study of mimicking novel bio-inspired functional materials, and the reported biomimetic technique confirms the feasibility of extending the functional structures in butterfly wings to particular optical devices in the field of space exploration, space equipment, photoelectrical devices and photo-induced sensors.Although the physical mechanism of light trapping property of butterfly wings is well understood, it remains a challenge to create artificial replicas of these natural functional structures. Here, we synthesized a SiO2 inverse replica of a light trapping structure in butterfly wing scales using a method combining a sol-gel process and subsequent selective etching. First, the reflectance spectrum was taken to measure the reflectivity. Then, FESEM and TEM were used to observe the coupling structure of scales and the replicas. Afterwards, assisted by SEM and TEM data, 3D optimized models of the structures and fabrication process were generated by software. Finally, the parametric

  2. Flow processes in overexpanded chemical rocket nozzles. Part 3: Methods for the aimed flow separation and side load reduction

    Science.gov (United States)

    Schmucker, R. H.

    1983-01-01

    Methods aimed at reduction of overexpansion and side load resulting from asymmetric flow separation for rocket nozzles with a high opening ratio are described. The methods employ additional measures for nozzles with a fixed opening ratio. The flow separation can be controlled by several types of nozzle inserts, the properties of which are discussed. Side loads and overexpansion can be reduced by adapting the shape of the nozzle and taking other additional measures for controlled separation of the boundary layer, such as trip wires.

  3. Comparing different methods for fast screening of microbiological quality of beach sand aimed at rapid-response remediation.

    Science.gov (United States)

    Testolin, Renan C; Almeida, Tito C M; Polette, Marcus; Branco, Joaquim O; Fischer, Larissa L; Niero, Guilherme; Poyer-Radetski, Gabriel; Silva, Valéria C; Somensi, Cleder A; Corrêa, Albertina X R; Corrêa, Rogério; Rörig, Leonardo R; Itokazu, Ana Gabriela; Férard, Jean-François; Cotelle, Sylvie; Radetski, Claudemir M

    2017-05-15

    There is scientific evidence that beach sands are a significant contributor to the pathogen load to which visitors are exposed. To develop beach quality guidelines all beach zones must be included in microbiological evaluations, but monitoring methods for beach sand quality are relatively longstanding, expensive, laborious and require moderate laboratory infrastructure. This paper aimed to evaluate the microorganism activity in different beach zones applying and comparing a classical method of membrane filtration (MF) with two colorimetric screening methods based on fluorescein (FDA) and tetrazolium (TTC) salt biotransformation to evaluate a new rapid and low-cost method for beach sand microbiological contamination assessments. The colorimetric results can help beach managers to evaluate rapidly and at low cost the microbiological quality of different beach zones in order to decide whether remedial actions need to be adopted to prevent exposure of the public to microbes due to beach sand and/or water contamination. Copyright © 2017. Published by Elsevier Ltd.

  4. Core Hunter II: fast core subset selection based on multiple genetic diversity measures using Mixed Replica search

    Directory of Open Access Journals (Sweden)

    Beukelaer Herman De

    2012-11-01

    Full Text Available Abstract Background Sampling core subsets from genetic resources while maintaining as much as possible the genetic diversity of the original collection is an important but computationally complex task for gene bank managers. The Core Hunter computer program was developed as a tool to generate such subsets based on multiple genetic measures, including both distance measures and allelic diversity indices. At first we investigate the effect of minimum (instead of the default mean distance measures on the performance of Core Hunter. Secondly, we try to gain more insight into the performance of the original Core Hunter search algorithm through comparison with several other heuristics working with several realistic datasets of varying size and allelic composition. Finally, we propose a new algorithm (Mixed Replica search for Core Hunter II with the aim of improving the diversity of the constructed core sets and their corresponding generation times. Results Our results show that the introduction of minimum distance measures leads to core sets in which all accessions are sufficiently distant from each other, which was not always obtained when optimizing mean distance alone. Comparison of the original Core Hunter algorithm, Replica Exchange Monte Carlo (REMC, with simpler heuristics shows that the simpler algorithms often give very good results but with lower runtimes than REMC. However, the performance of the simpler algorithms is slightly worse than REMC under lower sampling intensities and some heuristics clearly struggle with minimum distance measures. In comparison the new advanced Mixed Replica search algorithm (MixRep, which uses heterogeneous replicas, was able to sample core sets with equal or higher diversity scores than REMC and the simpler heuristics, often using less computation time than REMC. Conclusion The REMC search algorithm used in the original Core Hunter computer program performs well, sometimes leading to slightly better results

  5. Implementation of replica-exchange umbrella sampling in the DFTB + semiempirical quantum chemistry package

    Science.gov (United States)

    Ito, Shingo; Irle, Stephan; Okamoto, Yuko

    2016-07-01

    The replica-exchange umbrella sampling (REUS) method combines replica-exchange and umbrella sampling methods and allows larger conformational sampling than conventional simulation methods. This method has been used in many studies to understand docking mechanisms and the functions of molecules. However, REUS has not been combined with quantum chemical codes. Therefore, we implemented the REUS simulation technique in the DFTB + quantum chemistry code utilizing approximate density functional theory. We performed REUS simulations of an intra-molecular proton transfer reaction of malonaldehyde and a formation of a phthalocyanine from four phthalonitriles and one iron atom to validate the reliability of our implemented REUS-DFTB + combination.

  6. Replica Analysis for Portfolio Optimization with Single-Factor Model

    Science.gov (United States)

    Shinzato, Takashi

    2017-06-01

    In this paper, we use replica analysis to investigate the influence of correlation among the return rates of assets on the solution of the portfolio optimization problem. We consider the behavior of an optimal solution for the case where the return rate is described with a single-factor model and compare the findings obtained from our proposed methods with correlated return rates with those obtained with independent return rates. We then analytically assess the increase in the investment risk when correlation is included. Furthermore, we also compare our approach with analytical procedures for minimizing the investment risk from operations research.

  7. RRS: Replica Registration Service for Data Grids

    Energy Technology Data Exchange (ETDEWEB)

    Shoshani, Arie; Sim, Alex; Stockinger, Kurt

    2005-07-15

    Over the last few years various scientific experiments and Grid projects have developed different catalogs for keeping track of their data files. Some projects use specialized file catalogs, others use distributed replica catalogs to reference files at different locations. Due to this diversity of catalogs, it is very hard to manage files across Grid projects, or to replace one catalog with another. In this paper we introduce a new Grid service called the Replica Registration Service (RRS). It can be thought of as an abstraction of the concepts for registering files and their replicas. In addition to traditional single file registration operations, the RRS supports collective file registration requests and keeps persistent registration queues. This approach is of particular importance for large-scale usage where thousands of files are copied and registered. Moreover, the RRS supports a set of error directives that are triggered in case of registration failures. Our goal is to provide a single uniform interface for various file catalogs to support the registration of files across multiple Grid projects, and to make Grid clients oblivious to the specific catalog used.

  8. Beyond Virtual Replicas: 3D Modeling and Maltese Prehistoric Architecture

    Directory of Open Access Journals (Sweden)

    Filippo Stanco

    2013-01-01

    Full Text Available In the past decade, computer graphics have become strategic for the development of projects aimed at the interpretation of archaeological evidence and the dissemination of scientific results to the public. Among all the solutions available, the use of 3D models is particularly relevant for the reconstruction of poorly preserved sites and monuments destroyed by natural causes or human actions. These digital replicas are, at the same time, a virtual environment that can be used as a tool for the interpretative hypotheses of archaeologists and as an effective medium for a visual description of the cultural heritage. In this paper, the innovative methodology and aims and outcomes of a virtual reconstruction of the Borg in-Nadur megalithic temple, carried out by Archeomatica Project of the University of Catania, are offered as a case study for a virtual archaeology of prehistoric Malta.

  9. Aerospace devices for magnetic replicas

    Science.gov (United States)

    Weinstein, Roy

    1993-05-01

    Retained persistent magnetic field has been studied and improved in the superconductor YBa2Cu3O7 (Y123). During the study, trapped magnetic field, B(t), has been increased by over a factor of 10(exp 5). Methods used to improve magnetic field trapping were principally: (1) the adoption of the Melt Texturing process to increase grain size; (2) the addition of excess Y to disperse deposits of Y2BaCuO5 (Y211) and again increase grain size; (3) irradiation with high energy particles including 1H+, 3He++, 4He++, and fission fragments; and (4) utilizing temperatures below 77 K has also been quantified as a way to increase trapped field. In addition, in our study of B(t), we have found laws governing creep, activation, temperature dependence, creep vs. current flow, etc. In the range 20 K less than or equal to T less than or equal to 65 K, and for B less than 10 Tesla, a simple empirical relationship was found: B(trap) (T2) = B(trap) (T1) ((Tc - T2)/(Tc - T1))squared where Tc is the critical temperature. The highest experimental trapped field was B(trap) = 3.96 Tesla, at 65 K. We believe this to be the highest persistent field ever produced, by any method. A two component model of the persistent currents has been developed. This accurately reproduces the data, using as parameters only the magnitude of a constant surface current, J(s), and a constant volume current J(v). The model successfully predicts B(t) (xyz) for the case of maximum trapped field, for all samples observed. It has also been extended to describe the unsaturated case either zero field cooled, or field cooled. Loss of strap with time has been studied for the critical state (Bt,max), and non critical state (Bt less than Bt,max), for times from a few minutes to a few months, for unirradiated material, for irradiation by 1H+, 3He++, 4He++, high z projectiles, and neutrons, and for all materials used in the overall study. We conclude that: (1) multi Tesla trapped fields are attained; (2) fields over 10 T are

  10. Life With and Without Coding: Two Methods for Early-Stage Data Analysis in Qualitative Research Aiming at Causal Explanations

    Directory of Open Access Journals (Sweden)

    Jochen Gläser

    2013-03-01

    Full Text Available Qualitative research aimed at "mechanismic" explanations poses specific challenges to qualitative data analysis because it must integrate existing theory with patterns identified in the data. We explore the utilization of two methods—coding and qualitative content analysis—for the first steps in the data analysis process, namely "cleaning" and organizing qualitative data. Both methods produce an information base that is structured by categories and can be used in the subsequent search for patterns in the data and integration of these patterns into a systematic, theoretically embedded explanation. Used as a stand-alone method outside the grounded theory approach, coding leads to an indexed text, i.e. both the original text and the index (the system of codes describing the content of text segments are subjected to further analysis. Qualitative content analysis extracts the relevant information, i.e. separates it from the original text, and processes only this information. We suggest that qualitative content analysis has advantages compared to coding whenever the research question is embedded in prior theory and can be answered without processing knowledge about the form of statements and their position in the text, which usually is the case in the search for "mechanismic" explanations. Coding outperforms qualitative content analysis in research that needs this information in later stages of the analysis, e.g. the exploration of meaning or the study of the construction of narratives. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs130254

  11. Novel algorithm for distributed replicas management based on dynamic programming

    Institute of Scientific and Technical Information of China (English)

    Wang Tao; Lu Xianliang; Hou Mengshu

    2006-01-01

    Replicas can improve the data reliability in distributed system. However, the traditional algorithms for replica management are based on the assumption that all replicas have the uniform reliability, which is inaccurate in some actual systems. To address such problem, a novel algorithm is proposed based on dynamic programming to manage the number and distribution of replicas in different nodes. By using Markov model, replicas management is organized as a multi-phase process, and the recursion equations are provided. In this algorithm, the heterogeneity of nodes, the expense for maintaining replicas and the engaged space have been considered. Under these restricted conditions, this algorithm realizes high data reliability in a distributed system. The results of case analysis prove the feasibility of the algorithm.

  12. An Adaptive Replica Allocation Algorithm in Mobile Ad Hoc Networks

    Institute of Scientific and Technical Information of China (English)

    JingZheng; JinshuSu; KanYang

    2004-01-01

    In mobile ad hoc networks (MANET), nodes move freely and the distribution of access requests changes dynamically. Replica allocation in such a dynamic environment is a significant challenge. In this paoer, a dynamic adaptive replica allocation algorithm that can adapt to the nodes motion is proposed to minimize the communication cost of object access. When changes occur in the access requests of the object or the network topology, each replica node collects access requests from its neighbors and makes decisions locally to expand replica to neighbors or to relinquish the replica. The algorithm dynamically adapts the replica allocation scheme to a local optimal one. Simulation results show that our algorithms efficiently reduce the communication cost of object access in MANET environment.

  13. Replica exchange simulations of the three-dimensional Ising spin glass: static and dynamic properties

    Science.gov (United States)

    Yucesoy, Burcu; Machta, Jonathan; Katzgraber, Helmut G.

    2012-02-01

    We present the results of a large-scale numerical study of the equilibrium three-dimensional Ising spin glass with Gaussian disorder. Using replica exchange (parallel tempering) Monte Carlo, we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the replica exchange Monte Carlo method. The correlation between static and dynamic observables for 5000 disorder realizations (N <=10^3 spins) down to very low temperatures (T 0.2Tc) is examined. Our results show that autocorrelation times are directly correlated with the roughness of the free energy landscape. We also discuss the size dependence of several static quantities.

  14. European network for promoting the physical health of residents in psychiatric and social care facilities (HELPS: background, aims and methods

    Directory of Open Access Journals (Sweden)

    Marginean Roxana

    2009-08-01

    Full Text Available Abstract Background People with mental disorders have a higher prevalence of physical illnesses and reduced life expectancy as compared with the general population. However, there is a lack of knowledge across Europe concerning interventions that aim at reducing somatic morbidity and excess mortality by promoting behaviour-based and/or environment-based interventions. Methods and design HELPS is an interdisciplinary European network that aims at (i gathering relevant knowledge on physical illness in people with mental illness, (ii identifying health promotion initiatives in European countries that meet country-specific needs, and (iii at identifying best practice across Europe. Criteria for best practice will include evidence on the efficacy of physical health interventions and of their effectiveness in routine care, cost implications and feasibility for adaptation and implementation of interventions across different settings in Europe. HELPS will develop and implement a "physical health promotion toolkit". The toolkit will provide information to empower residents and staff to identify the most relevant risk factors in their specific context and to select the most appropriate action out of a range of defined health promoting interventions. The key methods are (a stakeholder analysis, (b international literature reviews, (c Delphi rounds with experts from participating centres, and (d focus groups with staff and residents of mental health care facilities. Meanwhile a multi-disciplinary network consisting of 15 European countries has been established and took up the work. As one main result of the project they expect that a widespread use of the HELPS toolkit could have a significant positive effect on the physical health status of residents of mental health and social care facilities, as well as to hold resonance for community dwelling people with mental health problems. Discussion A general strategy on health promotion for people with mental

  15. Replica approach to mean-variance portfolio optimization

    Science.gov (United States)

    Varga-Haszonits, Istvan; Caccioli, Fabio; Kondor, Imre

    2016-12-01

    We consider the problem of mean-variance portfolio optimization for a generic covariance matrix subject to the budget constraint and the constraint for the expected return, with the application of the replica method borrowed from the statistical physics of disordered systems. We find that the replica symmetry of the solution does not need to be assumed, but emerges as the unique solution of the optimization problem. We also check the stability of this solution and find that the eigenvalues of the Hessian are positive for r  =  N/T  portfolio and T the length of the time series used to estimate the covariance matrix. At the critical point r  =  1 a phase transition is taking place. The out of sample estimation error blows up at this point as 1/(1  -  r), independently of the covariance matrix or the expected return, displaying the universality not only of the critical exponent, but also the critical point. As a conspicuous illustration of the dangers of in-sample estimates, the optimal in-sample variance is found to vanish at the critical point inversely proportional to the divergent estimation error.

  16. An Arbitrary 2D Structured Replica Control Protocol

    OpenAIRE

    Basmadjian, Robert; Meer, Hermann,

    2011-01-01

    Traditional replication protocols that logically arrange the replicas into a specific structure have reasonable availability, lower communication cost as well as system load than those that do not require any logical organisation of replicas. We propose in this paper the A2DS protocol: a single protocol that, unlike the existing proposed protocols, can be adapted to any 2D structure. Its read operation is carried out on any replica of every level of the structure whereas write operations are ...

  17. Exchange frequency in replica exchange molecular dynamics

    Science.gov (United States)

    Sindhikara, Daniel; Meng, Yilin; Roitberg, Adrian E.

    2008-01-01

    The effect of the exchange-attempt frequency on sampling efficiency is studied in replica exchange molecular dynamics (REMD). We show that sampling efficiency increases with increasing exchange-attempt frequency. This conclusion is contrary to a commonly expressed view in REMD. Five peptides (1-21 residues long) are studied with a spectrum of exchange-attempt rates. Convergence rates are gauged by comparing ensemble properties between fixed length test REMD simulations and longer reference simulations. To show the fundamental correlation between exchange frequency and convergence time, a simple model is designed and studied, displaying the same basic behavior of much more complex systems.

  18. Study Protocol - Accurate assessment of kidney function in Indigenous Australians: aims and methods of the eGFR Study

    Directory of Open Access Journals (Sweden)

    Panagiotopoulos Sianna

    2010-02-01

    Full Text Available Abstract Background There is an overwhelming burden of cardiovascular disease, type 2 diabetes and chronic kidney disease among Indigenous Australians. In this high risk population, it is vital that we are able to measure accurately kidney function. Glomerular filtration rate is the best overall marker of kidney function. However, differences in body build and body composition between Indigenous and non-Indigenous Australians suggest that creatinine-based estimates of glomerular filtration rate derived for European populations may not be appropriate for Indigenous Australians. The burden of kidney disease is borne disproportionately by Indigenous Australians in central and northern Australia, and there is significant heterogeneity in body build and composition within and amongst these groups. This heterogeneity might differentially affect the accuracy of estimation of glomerular filtration rate between different Indigenous groups. By assessing kidney function in Indigenous Australians from Northern Queensland, Northern Territory and Western Australia, we aim to determine a validated and practical measure of glomerular filtration rate suitable for use in all Indigenous Australians. Methods/Design A cross-sectional study of Indigenous Australian adults (target n = 600, 50% male across 4 sites: Top End, Northern Territory; Central Australia; Far North Queensland and Western Australia. The reference measure of glomerular filtration rate was the plasma disappearance rate of iohexol over 4 hours. We will compare the accuracy of the following glomerular filtration rate measures with the reference measure: Modification of Diet in Renal Disease 4-variable formula, Chronic Kidney Disease Epidemiology Collaboration equation, Cockcroft-Gault formula and cystatin C- derived estimates. Detailed assessment of body build and composition was performed using anthropometric measurements, skinfold thicknesses, bioelectrical impedance and a sub-study used dual

  19. Scalable replica-exchange framework for Wang-Landau sampling.

    Science.gov (United States)

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P

    2014-08-01

    We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to lattice spin models, the self-assembly process in amphiphilic solutions, and the adsorption of molecules on surfaces. While of general current interest, the latter phenomena are challenging to study computationally because of multiple structural transitions occurring over a broad temperature range. We show how the parallel framework facilitates simulations of such processes and, without any loss of accuracy or precision, gives a significant speedup and allows for the study of much larger systems and much wider temperature ranges than possible with single-walker methods.

  20. Scalable replica-exchange framework for Wang-Landau sampling

    Science.gov (United States)

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P.

    2014-08-01

    We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to lattice spin models, the self-assembly process in amphiphilic solutions, and the adsorption of molecules on surfaces. While of general current interest, the latter phenomena are challenging to study computationally because of multiple structural transitions occurring over a broad temperature range. We show how the parallel framework facilitates simulations of such processes and, without any loss of accuracy or precision, gives a significant speedup and allows for the study of much larger systems and much wider temperature ranges than possible with single-walker methods.

  1. Scalable replica-exchange framework for Wang Landau sampling

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, Thomas [University of Georgia, Athens, GA; Li, Ying Wai [ORNL; Wuest, Thomas [Swiss Federal Research Institute, Switzerland; Landau, David P [University of Georgia, Athens, GA

    2014-01-01

    We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to lattice spin models, the self-assembly process in amphiphilic solutions, and the adsorption of molecules on surfaces. While of general, current interest, the latter phenomena are challenging to study computationally because of multiple structural transitions occurring over a broad temperature range. We show how the parallel framework facilitates simulations of such processes and, without any loss of accuracy or precision, gives a significant speedup and allows for the study of much larger systems and much wider temperature ranges than possible with single-walker methods.

  2. Spin Glass Field Theory with Replica Fourier Transforms

    Science.gov (United States)

    Pimentel, Iveta R.; De Dominicis, Cirano

    We develop a field theory for spin glasses using Replica Fourier Transforms (RFT). We present the formalism for the case of replica symmetry and the case of replica symmetry breaking on an ultrametric tree, with the number of replicas n and the number of replica symmetry breaking steps R generic integers. We show how the RFT applied to the two-replica fields allows to construct a new basis which block-diagonalizes the four-replica mass-matrix, into the replicon, anomalous and longitudinal modes. The eigenvalues are given in terms of the mass RFT and the propagators in the RFT space are obtained by inversion of the block-diagonal matrix. The formalism allows to express any i-replica vertex in the new RFT basis and hence enables to perform a standard perturbation expansion. We apply the formalism to calculate the contribution of the Gaussian fluctuations around the Parisi's solution for the free-energy of an Ising spin glass.

  3. Life With and Without Coding: Two Methods for Early-Stage Data Analysis in Qualitative Research Aiming at Causal Explanations

    NARCIS (Netherlands)

    Gläser, Jochen; Laudel, Grit

    2013-01-01

    Qualitative research aimed at "mechanismic" explanations poses specific challenges to qualitative data analysis because it must integrate existing theory with patterns identified in the data. We explore the utilization of two methods—coding and qualitative content analysis—for the first steps in the

  4. Life With and Without Coding: Two Methods for Early-Stage Data Analysis in Qualitative Research Aiming at Causal Explanations

    NARCIS (Netherlands)

    Gläser, Jochen; Laudel, Grit

    2013-01-01

    Qualitative research aimed at "mechanismic" explanations poses specific challenges to qualitative data analysis because it must integrate existing theory with patterns identified in the data. We explore the utilization of two methods—coding and qualitative content analysis—for the first steps in the

  5. Development and application of the RE-AIM QuEST mixed methods framework for program evaluation

    Directory of Open Access Journals (Sweden)

    Jane Forman

    2017-06-01

    The RE-AIM QuEST framework may be a useful tool for improving interventions in real-time, for understanding retrospectively why an intervention did or did not work, and for enhancing its sustainability and translation to other settings.

  6. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation.

    Science.gov (United States)

    Mishra, Sushil Kumar; Kara, Mahmut; Zacharias, Martin; Koca, Jaroslav

    2014-01-01

    Knowledge of the structure and conformational flexibility of carbohydrates in an aqueous solvent is important to improving our understanding of how carbohydrates function in biological systems. In this study, we extend a variant of the Hamiltonian replica-exchange molecular dynamics (MD) simulation to improve the conformational sampling of saccharides in an explicit solvent. During the simulations, a biasing potential along the glycosidic-dihedral linkage between the saccharide monomer units in an oligomer is applied at various levels along the replica runs to enable effective transitions between various conformations. One reference replica runs under the control of the original force field. The method was tested on disaccharide structures and further validated on biologically relevant blood group B, Lewis X and Lewis A trisaccharides. The biasing potential-based replica-exchange molecular dynamics (BP-REMD) method provided a significantly improved sampling of relevant conformational states compared with standard continuous MD simulations, with modest computational costs. Thus, the proposed BP-REMD approach adds a new dimension to existing carbohydrate conformational sampling approaches by enhancing conformational sampling in the presence of solvent molecules explicitly at relatively low computational cost.

  7. Combining Elastic Network Analysis and Molecular Dynamics Simulations by Hamiltonian Replica Exchange.

    Science.gov (United States)

    Zacharias, Martin

    2008-03-01

    Coarse-grained elastic network models (ENM) of proteins can be used efficiently to explore the global mobility of a protein around a reference structure. A new Hamiltonian-replica exchange molecular dynamics (H-RexMD) method has been designed that effectively combines information extracted from an ENM analysis with atomic-resolution MD simulations. The ENM analysis is used to construct a distance-dependent penalty (flooding or biasing) potential that can drive the structure away from its current conformation in directions compatible with the ENM model. Various levels of the penalty or biasing potential are added to the force field description of the MD simulation along the replica coordinate. One replica runs at the original force field. By focusing the penalty potential on the relevant soft degrees of freedom the method avoids the rapid increase of the replica number with increasing system size to cover a desired temperature range in conventional (temperature) RexMD simulations. The application to domain motions in lysozyme of bacteriophage T4 and to peptide folding indicates significantly improved conformational sampling compared to conventional MD simulations.

  8. Replica analysis for the duality of the portfolio optimization problem

    Science.gov (United States)

    Shinzato, Takashi

    2016-11-01

    In the present paper, the primal-dual problem consisting of the investment risk minimization problem and the expected return maximization problem in the mean-variance model is discussed using replica analysis. As a natural extension of the investment risk minimization problem under only a budget constraint that we analyzed in a previous study, we herein consider a primal-dual problem in which the investment risk minimization problem with budget and expected return constraints is regarded as the primal problem, and the expected return maximization problem with budget and investment risk constraints is regarded as the dual problem. With respect to these optimal problems, we analyze a quenched disordered system involving both of these optimization problems using the approach developed in statistical mechanical informatics and confirm that both optimal portfolios can possess the primal-dual structure. Finally, the results of numerical simulations are shown to validate the effectiveness of the proposed method.

  9. Replica exchange Monte Carlo applied to hard spheres.

    Science.gov (United States)

    Odriozola, Gerardo

    2009-10-14

    In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HSs). The idea behind the proposal is expanding volume instead of increasing temperature to let crowded systems characterized by dominant repulsive interactions to unblock, and so, to produce sampling from disjoint configurations. The method produces, in a single parallel run, the complete HS equation of state. Thus, the first order fluid-solid transition is captured. The obtained results well agree with previous calculations. This approach seems particularly useful to treat purely entropy-driven systems such as hard body and nonadditive hard mixtures, where temperature plays a trivial role.

  10. Vertices from replica in a random matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Brezin, E [Laboratoire de Physique Theorique, Ecole Normale Superieure, 24 rue Lhomond 75231, Paris Cedex 05 (France); Hikami, S [Department of Basic Sciences, University of Tokyo, Meguro-ku, Komaba, Tokyo 153 (Japan)

    2007-11-09

    Kontsevich's work on Airy matrix integrals has led to explicit results for the intersection numbers of the moduli space of curves. In a subsequent work Okounkov rederived these results from the edge behavior of a Gaussian matrix integral. In our work we consider the correlation functions of vertices in a Gaussian random matrix theory, with an external matrix source. We deal with operator products of the form <{pi}{sub i=1}{sup n}1/N tr M{sup k{sub i}}>, in a 1/N expansion. For large values of the powers k{sub i}, in an appropriate scaling limit relating large k's to large N, universal scaling functions are derived. Furthermore, we show that the replica method applied to characteristic polynomials of the random matrices, together with a duality exchanging N and the number of points, provides a new way to recover Kontsevich's results on these intersection numbers.

  11. RESULTS OF ANALYSIS OF BENCHMARKING METHODS OF INNOVATION SYSTEMS ASSESSMENT IN ACCORDANCE WITH AIMS OF SUSTAINABLE DEVELOPMENT OF SOCIETY

    Directory of Open Access Journals (Sweden)

    A. Vylegzhanina

    2016-01-01

    Full Text Available In this work, we introduce results of comparative analysis of international ratings indexes of innovation systems for their compliance with purposes of sustainable development. Purpose of this research is defining requirements to benchmarking methods of assessing national or regional innovation systems and compare them basing on assumption, that innovation system is aligned with sustainable development concept. Analysis of goal sets and concepts, which underlie observed international composite innovation indexes, comparison of their metrics and calculation techniques, allowed us to reveal opportunities and limitations of using these methods in frames of sustainable development concept. We formulated targets of innovation development on the base of innovation priorities of sustainable socio-economic development. Using comparative analysis of indexes with these targets, we revealed two methods of assessing innovation systems, maximally connected with goals of sustainable development. Nevertheless, today no any benchmarking method, which meets need of innovation systems assessing in compliance with sustainable development concept to a sufficient extent. We suggested practical directions of developing methods, assessing innovation systems in compliance with goals of societal sustainable development.

  12. System of teaching tasks aimed at training the skill of making medical choices through the clinical method

    Directory of Open Access Journals (Sweden)

    Luís Alberto Corona Martínez

    2010-12-01

    Full Text Available Being able of making medical choices is an essential skill for those who have received a Doctor of Medicine Degree. This article presents a system of teaching tasks aimed at training such skills in medicine students. The essential content of the article is divided into four parts. The first one outlines the general structure of the teaching task, the second one presents the elaborated task system, the third one describes the didactic moments for the implementation of the tasks system and, finally, the fourth one shows some additional methodological considerations. The system of teaching tasks to train the skill of making medical choices in medicine students has been conceived as a knowledge that can undergo changes and corrections arising from criticism and its own process of implementation.

  13. Aiming for the Singing Teacher: An Applied Study on Preservice Kindergarten Teachers' Singing Skills Development within a Music Methods Course

    Science.gov (United States)

    Neokleous, Rania

    2015-01-01

    This study examined the effects of a music methods course offered at a Cypriot university on the singing skills of 33 female preservice kindergarten teachers. To systematically measure and analyze student progress, the research design was both experimental and descriptive. As an applied study which was carried out "in situ," the normal…

  14. Psychological Benefits of Nonpharmacological Methods Aimed for Improving Balance in Parkinson’s Disease: A Systematic Review

    Directory of Open Access Journals (Sweden)

    Rastislav Šumec

    2015-01-01

    Full Text Available Parkinson’s disease (PD is a serious condition with a major negative impact on patient’s physical and mental health. Postural instability is one of the cardinal difficulties reported by patients to deal with. Neuroanatomical, animal, and clinical studies on nonparkinsonian and parkinsonian subjects suggest an important correlation between the presence of balance dysfunction and multiple mood disorders, such as anxiety, depression, and apathy. Considering that balance dysfunction is a very common symptom in PD, we can presume that by its management we could positively influence patient’s state of mind too. This review is an analysis of nonpharmacological methods shown to be effective and successful for improving balance in patients suffering from PD. Strategies such as general exercise, robotic assisted training, Tai Chi, Qi Gong, Yoga, dance (such as tango or ballet, box, virtual reality-based, or neurofeedback-based techniques and so forth can significantly improve the stability in these patients. Beside this physical outcome, many methods have also shown effect on quality of life, depression level, enjoyment, and motivation to continue in practicing the method independently. The purpose of this review is to provide information about practical and creative methods designed to improve balance in PD and highlight their positive impact on patient’s psychology.

  15. Asynchronous replica exchange software for grid and heterogeneous computing

    Science.gov (United States)

    Gallicchio, Emilio; Xia, Junchao; Flynn, William F.; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M.

    2015-11-01

    Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices.

  16. Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing

    Science.gov (United States)

    Gallicchio, Emilio; Xia, Junchao; Flynn, William F.; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M.

    2015-01-01

    Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices. PMID:27103749

  17. An IARC Manual series aimed at assisting cancer epidemiology and prevention. "Environmental carcinogens: selected methods of analysis".

    Science.gov (United States)

    O'Neill, I K; Fishbein, L

    1986-01-01

    Since 1975, the IARC has been preparing a series of volumes entitled "Environmental Carcinogens: Selected Methods of Analysis" (IARC Manual series) of which the purposes are to assist analysts, epidemiologists and regulatory authorities in planning or performing exposure measurements that are truly comparable between different studies. The Manual series provides expert information within each volume on multi-media sampling, methods of analyses and some background of epidemiology, metabolism, use/occurrence for a group of known or suspect carcinogens. So far, eleven volumes have been published or are in preparation on the following subjects: N-nitrosamines, vinyl chloride, PAH, aromatic amines, mycotoxins, N-nitroso compounds, volatile halogenated hydrocarbons, metals, passive smoking, benzene and alkylated benzenes, dioxins, PCDFs and PCBs. The presentation will discuss needs and priorities for use of analytical chemistry in estimating exposures of apparently greatest relevance to cancer causation, i.e. the approach to developing this series. Indications from epidemiology, evaluations of carcinogenic risk to humans, and recent developments in total exposure assessment are that new methods and matrices need more emphasis, e.g. as with biochemical dosimetry, exhaled breath, and in indoor air.

  18. Measurement and Analysis of Olfactory Responses with the Aim of Establishing an Objective Diagnostic Method for Central Olfactory Disorders

    Science.gov (United States)

    Uno, Tominori; Wang, Li-Qun; Miwakeichi, Fumikazu; Tonoike, Mitsuo; Kaneda, Teruo

    In order to establish a new diagnostic method for central olfactory disorders and to identify objective indicators, we measured and analyzed brain activities in the parahippocampal gyrus and uncus, region of responsibility for central olfactory disorders. The relationship between olfactory stimulation and brain response at region of responsibility can be examined in terms of fitted responses (FR). FR in these regions may be individual indicators of changes in brain olfactory responses. In the present study, in order to non-invasively and objectively measure olfactory responses, an odor oddball task was conducted on four healthy volunteers using functional magnetic resonance imaging (fMRI) and a odorant stimulator with blast-method. The results showed favorable FR and activation in the parahippocampal gyrus or uncus in all subjects. In some subjects, both the parahippocampal gyrus and uncus were activated. Furthermore, activation was also confirmed in the cingulate gyrus, middle frontal gyrus, precentral gyrus, postcentral gyrus, superior temporal gyrus and insula. The hippocampus and uncus are known to be involved in the olfactory disorders associated with early-stage Alzheimer's disease and other olfactory disorders. In the future, it will be necessary to further develop the present measurement and analysis method to clarify the relationship between central olfactory disorders and brain activities and establish objective indicators that are useful for diagnosis.

  19. Response Time Optimization for Replica Selection Service in Data Grids

    Directory of Open Access Journals (Sweden)

    Husni H.E. AL-Mistarihi

    2008-01-01

    Full Text Available Problem Statement: Data Grid architecture provides a scalable infrastructure for grid services in order to manage data files and their corresponding replicas that were distributed across the globe. The grid services are designed to support a variety of data grid applications (jobs and projects. Replica selection is a high-level service that chooses a replica location from among many distributed replicas with the minimum response time for the users' jobs. Estimating the response time accurately in the grid environment is not an easy task. The current systems expose high response time in selecting the required replicas because the response time is estimated by considering the data transfer time only. Approach: We proposed a replica selection system that selects the best replica location for the users' running jobs in a minimum response time that can be estimated by considering new factors besides the data transfer time, namely, the storage access latency and the replica requests that waiting in the storage queue. Results: The performance of the proposed system was compared with a similar system that exists in the literature namely, SimpleOptimiser. The simulation results demonstrated that our system performed better than the SimpleOptimiser on an average of 6%. Conclusions: The proposed system can select the best replica location in a lesser response time than the SimpleOptimise. The efficiency of the proposed system is 6% higher than the SimpleOptimise. The efficiency level has a high impact on the quality of service that is perceived by grid users in a data grid environment where the data files are relatively big. For example, the data files produced from the scientific applications are of the size hundreds of Terabytes.

  20. Experimental methods for the simulation of supercritical CO2 injection at laboratory scale aimed to investigate capillary trapping

    Science.gov (United States)

    Trevisan, L.; Illangasekare, T. H.; Rodriguez, D.; Sakaki, T.; Cihan, A.; Birkholzer, J. T.; Zhou, Q.

    2011-12-01

    Geological storage of carbon dioxide in deep geologic formations is being considered as a technical option to reduce greenhouse gas loading to the atmosphere. The processes associated with the movement and stable trapping are complex in deep naturally heterogeneous formations. Three primary mechanisms contribute to trapping; capillary entrapment due to immobilization of the supercritical fluid CO2 within soil pores, liquid CO2 dissolving in the formation water and mineralization. Natural heterogeneity in the formation is expected to affect all three mechanisms. A research project is in progress with the primary goal to improve our understanding of capillary and dissolution trapping during injection and post-injection process, focusing on formation heterogeneity. It is expected that this improved knowledge will help to develop site characterization methods targeting on obtaining the most critical parameters that capture the heterogeneity to design strategies and schemes to maximize trapping. This research combines experiments at the laboratory scale with multiphase modeling to upscale relevant trapping processes to the field scale. This paper presents the results from a set of experiments that were conducted in an intermediate scale test tanks. Intermediate scale testing provides an attractive alternative to investigate these processes under controlled conditions in the laboratory. Conducting these types of experiments is highly challenging as methods have to be developed to extrapolate the data from experiments that are conducted under ambient laboratory conditions to high temperatures and pressures settings in deep geologic formations. We explored the use of a combination of surrogate fluids that have similar density, viscosity contrasts and analogous solubility and interfacial tension as supercritical CO2-brine in deep formations. The extrapolation approach involves the use of dimensionless numbers such as Capillary number (Ca) and the Bond number (Bo). A set of

  1. Assessment of mycotoxin exposure in the Belgian population using biomarkers: aim, design and methods of the BIOMYCO study.

    Science.gov (United States)

    Heyndrickx, Ellen; Sioen, Isabelle; Bellemans, Mia; De Maeyer, Mieke; Callebaut, Alfons; De Henauw, Stefaan; De Saeger, Sarah

    2014-01-01

    Mycotoxins are harmful food contaminants. Currently, human exposure assessment to these toxins is often based on calculations combining mycotoxin occurrence data in food with population data on food consumption. Because of limitations inherent to that approach, biomarkers have been proposed as a suitable alternative whereby a more accurate assessment of exposure at the individual level can be performed. The BIOMYCO study is designed to assess human mycotoxin exposure using urinary biomarkers of exposure. Over the different seasons of 2013 and 2014, morning urine is gathered in a representative part of the Belgian population according to a designed study protocol, whereby 140 children (3-12 years old) and 278 adults (19-65 years old) are selected based on random cluster sampling stratified for sex, age and geographical areas. Every participant completes a food frequency questionnaire to assess the consumption of relevant foodstuffs (n = 43) of both the day before the urine collection and the previous month. Validated multi-toxin LC-MS/MS methods are used to analyse aflatoxins, fumonisins, ochratoxin A, trichothecenes, zearalenone and their metabolites in morning urine. The study protocol is approved by the ethical committee of the Ghent University Hospital. Within this paper, study design and methods are described. The BIOMYCO study is the first study whereby a multi-toxin approach is applied for mycotoxin exposure assessment in adults and children on a large scale. Moreover, it is the first study that will describe the exposure to an elaborated set of mycotoxins in the Belgian population. In first instance, descriptive analysis will be performed, describing the exposure to mycotoxins for the child and adult group. Exposure of different subgroups will be compared. Furthermore, correlations between the mycotoxin concentrations measured and the food consumption reported will be estimated to explore whether the mycotoxin exposure could be explained by the consumption

  2. Water hexamer: Self-consistent phonons versus reversible scaling versus replica exchange molecular dynamics

    CERN Document Server

    Brown, Sandra E

    2014-01-01

    Classical free energies for the cage and prism isomers of water hexamer computed by the self- consistent phonons (SCP) method and reversible scaling (RS) method are presented for several flexible water potentials. Both methods have been augmented with a rotational correction for improved accuracy when working with clusters. Comparison of the SCP results with the RS results suggests a fairly broad temperature range over which the SCP approximation can be expected to give accurate results for systems of water clusters, and complements a previously reported assessment of SCP. Discrepancies between the SCP and RS results presented here, and recently published replica exchange molecular dynamics (REMD) results bring into question the convergence of the REMD and accompanying replica exchange path integral molecular dynamics results. In addition to the ever-present specter of unconverged results, several possible sources for the discrepancy are explored based on inherent characteristics of the methods used.

  3. Aims, methods and preliminary findings of the Physical Activity, Nutrition and Allergies in Children Examined in Athens (PANACEA epidemiological study

    Directory of Open Access Journals (Sweden)

    Papadimitriou Anastasios

    2007-07-01

    Full Text Available Abstract Background To determine the prevalence of asthma symptoms in a sample of Greek children aged 10–12 years, and to evaluate these rates in relation to anthropometric, lifestyle characteristics and dietary habits. Methods During 2006, 700 schoolchildren (323 male and 377 female, aged 10–12 years (4th to 6th school grade, were selected from 18 schools located in the greater Athens area. The schools were randomly selected from a list provided by the regional educational offices. To achieve a representative sample the schools enrolled were selected from various region of the Athens area. For each child a questionnaire was completed that was developed for the purposes of the study to retrieve information on: age, sex, school class, other socio-demographic characteristics, anthropometric measurements, dietary habits (through a semi-quantitative Food Frequency Questionnaire and physical activity status; the presence of asthma and allergies was assessed by the standard ISAAC questionnaire. Results The prevalence of wheezing in the past was 25% in boys and 19% in girls, while the prevalence of current wheezing was 9.0% in boys and 5.8% in girls. The prevalence of any asthma symptoms was 27.6% in boys and 20.4% in girls. Multiple logistic regression analysis revealed that increased body weight and sedentary lifestyle is associated with asthma symptoms only in boys. Conclusion The present cross-sectional study cannot establish causal relationships between asthma and increased body weight of schoolchildren; however, our findings underline the associations between asthma, increased body weight, and physical activity at population level, and urge for actions that should be taken by public health policy makers in order to prevent these conditions among children.

  4. A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling

    CERN Document Server

    Li, Ying Wai; Wüst, Thomas; Landau, David P

    2014-01-01

    We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang-Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.

  5. A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling

    Science.gov (United States)

    Li, Ying Wai; Vogel, Thomas; Wüst, Thomas; Landau, David P.

    2014-05-01

    We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang-Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.

  6. A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang Landau sampling

    Energy Technology Data Exchange (ETDEWEB)

    Li, Ying Wai [ORNL; Vogel, Thomas [Los Alamos National Laboratory (LANL); Wuest, Thomas [Swiss Federal Research Institute, Switzerland; Landau, David P [University of Georgia, Athens, GA

    2014-01-01

    We introduce a generic, parallel Wang Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.

  7. SRF Cavity Surface Topography Characterization Using Replica Techniques

    Energy Technology Data Exchange (ETDEWEB)

    C. Xu, M.J. Kelley, C.E. Reece

    2012-07-01

    To better understand the roll of topography on SRF cavity performance, we seek to obtain detailed topographic information from the curved practical cavity surfaces. Replicas taken from a cavity interior surface provide internal surface molds for fine Atomic Force Microscopy (AFM) and stylus profilometry. In this study, we confirm the replica resolution both on surface local defects such as grain boundary and etching pits and compare the surface uniform roughness with the aid of Power Spectral Density (PSD) where we can statistically obtain roughness parameters at different scales. A series of sampling locations are at the same magnetic field chosen at the same latitude on a single cell cavity to confirm the uniformity. Another series of sampling locations at different magnetic field amplitudes are chosen for this replica on the same cavity for later power loss calculation. We also show that application of the replica followed by rinsing does not adversely affect the cavity performance.

  8. Enhanced Conformational Sampling using Replica Exchange with Collective-Variable Tempering

    CERN Document Server

    Gil-Ley, Alejandro

    2015-01-01

    The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strength of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide.

  9. Hamiltonian replica-exchange in GROMACS: a flexible implementation

    OpenAIRE

    Bussi, Giovanni

    2013-01-01

    A simple and general implementation of Hamiltonian replica exchange for the popular molecular-dynamics software GROMACS is presented. In this implementation, arbitrarily different Hamiltonians can be used for the different replicas without incurring in any significant performance penalty. The implementation was validated on a simple toy model - alanine dipeptide in water - and applied to study the rearrangement of an RNA tetraloop, where it was used to compare recently proposed force-field co...

  10. Hamiltonian replica-exchange in GROMACS: a flexible implementation

    CERN Document Server

    Bussi, Giovanni

    2013-01-01

    A simple and general implementation of Hamiltonian replica exchange for the popular molecular-dynamics software GROMACS is presented. In this implementation, arbitrarily different Hamiltonians can be used for the different replicas without incurring in any significant performance penalty. The implementation was validated on a simple toy model - alanine dipeptide in water - and applied to study the rearrangement of an RNA tetraloop, where it was used to compare recently proposed force-field corrections.

  11. Elastomer and resin replicas for sem observation of metallic materials

    OpenAIRE

    Palin-Luc, Thierry; Sellier, E.; D?Errico, F.; Vanhaeren, M.

    2002-01-01

    International audience; The replica technique is often used to study damage evolution at the surface of specimens or industrial components and understand the physicial phenomena responsible for fatigue crack initiation before failure. Replicas are usually made from acetate cellulose film. This paper presents an alternative technique generally used by archaeologists to study lithic use-wear and bone modification. A mold is made from a dental elastomer (silicon based impression material) and a ...

  12. JavaFIRE: A Replica and File System for Grids

    Science.gov (United States)

    Petek, Marko; da Silva Gomes, Diego; Resin Geyer, Claudio Fernando; Santoro, Alberto; Gowdy, Stephen

    2012-12-01

    The work is focused on the creation of a replica and file transfers system for Computational Grids inspired on the needs of the High Energy Physics (HEP). Due to the high volume of data created by the HEP experiments, an efficient file and dataset replica system may play an important role on the computing model. Data replica systems allow the creation of copies, distributed between the different storage elements on the Grid. In the HEP context, the data files are basically immutable. This eases the task of the replica system, because given sufficient local storage resources any dataset just needs to be replicated to a particular site once. Concurrent with the advent of computational Grids, another important theme in the distributed systems area that has also seen some significant interest is that of peer-to-peer networks (p2p). P2p networks are an important and evolving mechanism that eases the use of distributed computing and storage resources by end users. One common technique to achieve faster file download from possibly overloaded storage elements over congested networks is to split the files into smaller pieces. This way, each piece can be transferred from a different replica, in parallel or not, optimizing the moments when the network conditions are better suited to the transfer. The main tasks achieved by the system are: the creation of replicas, the development of a system for replicas transfer (RFT) and for replicas location (RLS) with a different architecture that the one provided by Globus and the development of a system for file transfer in pieces on computational grids with interfaces for several storage elements. The RLS uses a p2p overlay based on the Kademlia algorithm.

  13. Performance of replica-exchange Wang-Landau sampling for the study of spin systems

    Science.gov (United States)

    Li, Ying Wai; Eisenbach, Markus; Vogel, Thomas; Wüst, Thomas; Landau, David P.

    2014-03-01

    The recently proposed replica-exchange Wang-Landau sampling (REWL) is a novel, massively parallel Monte Carlo method which allows for the parallelization of Wang-Landau sampling based on a replica-exchange framework. The robustness of the scheme is demonstrated by its broad applicability on a variety of spin systems: from the simplest models with discrete or continuous energy domains, to complex systems captured by large-scale first principles density functional theory calculations. The accuracy of REWL is studied by comparing the thermodynamic properties with exact solutions and results obtained by the original, serial Wang-Landau sampling. The principles for the speed-up, the strong and weak scaling behavior of REWL are also investigated when different parameter settings are employed. We will show, with the aid of selected spin systems, that the method accelerates the simulations significantly with a possible improved accuracy. Phys. Rev. Lett. 110, 210603 (2013)

  14. Techniques of replica symmetry breaking and the storage problem of the McCulloch-Pitts neuron

    Science.gov (United States)

    Györgyi, G.

    2001-02-01

    In this article we review the framework for spontaneous replica symmetry breaking. Subsequently that is applied to the example of the statistical mechanical description of the storage properties of a McCulloch-Pitts neuron, i.e., simple perceptron. It is shown that in the neuron problem, the general formula that is at the core of all problems admitting Parisi's replica symmetry breaking ansatz with a one-component order parameter appears. The details of Parisi's method are reviewed extensively, with regard to the wide range of systems where the method may be applied. Parisi's partial differential equation and related differential equations are discussed, and the Green function technique is introduced for the calculation of replica averages, the key to determining the averages of physical quantities. The Green function of the Fokker-Planck equation due to Sompolinsky turns out to play the role of the statistical mechanical Green function in the graph rules for replica correlators. The subsequently obtained graph rules involve only tree graphs, as appropriate for a mean-field-like model. The lowest order Ward-Takahashi identity is recovered analytically and shown to lead to the Goldstone modes in continuous replica symmetry breaking phases. The need for a replica symmetry breaking theory in the storage problem of the neuron has arisen due to the thermodynamical instability of formerly given solutions. Variational forms for the neuron's free energy are derived in terms of the order parameter function x( q), for different prior distribution of synapses. Analytically in the high temperature limit and numerically in generic cases various phases are identified, among them is one similar to the Parisi phase in long-range interaction spin glasses. Extensive quantities like the error per pattern change slightly with respect to the known unstable solutions, but there is a significant difference in the distribution of non-extensive quantities like the synaptic overlaps and the

  15. Replica Fourier Tansforms on Ultrametric Trees, and Block-Diagonalizing Multi-Replica Matrices

    Science.gov (United States)

    de Dominicis, C.; Carlucci, D. M.; Temesvári, T.

    1997-01-01

    The analysis of objects living on ultrametric trees, in particular the block-diagonalization of 4-replica matrices M^{α β;γ^δ}, is shown to be dramatically simplified through the introduction of properly chosen operations on those objects. These are the Replica Fourier Transforms on ultrametric trees. Those transformations are defined and used in the present work. On montre que l'analyse d'objets vivant sur un arbre ultramétrique, en particulier, la diagonalisation par blocs d'une matrice M^{α β;γ^δ} dépendant de 4-répliques, se simplifie de façon dramatique si l'on introduit les opérations appropriées sur ces objets. Ce sont les Transformées de Fourier de Répliques sur un arbre ultramétrique. Ces transformations sont définies et utilisées dans le présent travail.

  16. General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application

    Science.gov (United States)

    Nagai, Tetsuro

    2017-01-01

    Replica-exchange molecular dynamics (REMD) has demonstrated its efficiency by combining trajectories of a wide range of temperatures. As an extension of the method, the author formalizes the mass-manipulating replica-exchange molecular dynamics (MMREMD) method that allows for arbitrary mass scaling with respect to temperature and individual particles. The formalism enables the versatile application of mass-scaling approaches to the REMD method. The key change introduced in the novel formalism is the generalized rules for the velocity and momentum scaling after accepted replica-exchange attempts. As an application of this general formalism, the refinement of the viscosity-REMD (V-REMD) method [P. H. Nguyen, https://doi.org/10.1063/1.3369626" xlink:type="simple">J. Chem. Phys. 132, 144109 (2010)] is presented. Numerical results are provided using a pilot system, demonstrating easier and more optimized applicability of the new version of V-REMD as well as the importance of adherence to the generalized velocity scaling rules. With the new formalism, more sound and efficient simulations will be performed.

  17. Replica analysis of overfitting in regression models for time-to-event data

    Science.gov (United States)

    Coolen, A. C. C.; Barrett, J. E.; Paga, P.; Perez-Vicente, C. J.

    2017-09-01

    Overfitting, which happens when the number of parameters in a model is too large compared to the number of data points available for determining these parameters, is a serious and growing problem in survival analysis. While modern medicine presents us with data of unprecedented dimensionality, these data cannot yet be used effectively for clinical outcome prediction. Standard error measures in maximum likelihood regression, such as p-values and z-scores, are blind to overfitting, and even for Cox’s proportional hazards model (the main tool of medical statisticians), one finds in literature only rules of thumb on the number of samples required to avoid overfitting. In this paper we present a mathematical theory of overfitting in regression models for time-to-event data, which aims to increase our quantitative understanding of the problem and provide practical tools with which to correct regression outcomes for the impact of overfitting. It is based on the replica method, a statistical mechanical technique for the analysis of heterogeneous many-variable systems that has been used successfully for several decades in physics, biology, and computer science, but not yet in medical statistics. We develop the theory initially for arbitrary regression models for time-to-event data, and verify its predictions in detail for the popular Cox model.

  18. Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle.

    Science.gov (United States)

    Cavalli, Andrea; Camilloni, Carlo; Vendruscolo, Michele

    2013-03-07

    In order to characterise the dynamics of proteins, a well-established method is to incorporate experimental parameters as replica-averaged structural restraints into molecular dynamics simulations. Here, we justify this approach in the case of interproton distance information provided by nuclear Overhauser effects by showing that it generates ensembles of conformations according to the maximum entropy principle. These results indicate that the use of replica-averaged structural restraints in molecular dynamics simulations, given a force field and a set of experimental data, can provide an accurate approximation of the unknown Boltzmann distribution of a system.

  19. Rapid prototyping of replica knee implants for in vitro testing

    Directory of Open Access Journals (Sweden)

    Verjans Mark

    2016-09-01

    Full Text Available The understanding of the complex biomechanics of the knee is a key for an optimal implant design. To easily investigate the influence of prosthetic designs on knee biomechanics a rapid prototyping workflow for knee implants has been developed and evaluated. Therefore, different manufacturing technologies and post-treatment methods have been examined and overall seven different replica knee implants were manufactured. For evaluation, the manufacturing properties such as surface accuracy and roughness were determined and kinematic behaviour was investigated in a novel knee testing rig. It was carried out that PolyJet-Modelling with a sanded surface resulted in changed kinematic patterns compared to a usual CoCr-UHMWPE implant. However, fused deposition modelling using ABS and subsequent surface smoothening with acetone vapor showed the lowest roughness of the manufactured implants and only minor kinematic differences. For this reason this method constitutes a promising approach towards an optimal implant design for improved patient-satisfaction and long lifetime of the implant. Finally the workflow is not only limited to the knee.

  20. Protein-ligand docking using hamiltonian replica exchange simulations with soft core potentials.

    Science.gov (United States)

    Luitz, Manuel P; Zacharias, Martin

    2014-06-23

    Molecular dynamics (MD) simulations in explicit solvent allow studying receptor-ligand binding processes including full flexibility of the binding partners and an explicit inclusion of solvation effects. However, in MD simulations, the search for an optimal ligand-receptor complex geometry is frequently trapped in locally stable non-native binding geometries. A Hamiltonian replica-exchange (H-REMD)-based protocol has been designed to enhance the sampling of putative ligand-receptor complexes. It is based on softening nonbonded ligand-receptor interactions along the replicas and one reference replica under the control of the original force field. The efficiency of the method has been evaluated on two receptor-ligand systems and one protein-peptide complex. Starting from misplaced initial docking geometries, the H-REMD method reached in each case the known binding geometry significantly faster than a standard MD simulation. The approach could also be useful to identify and evaluate alternative binding geometries in a given binding region with small relative differences in binding free energy.

  1. Recent advances in fabrication of monolayer colloidal crystals and their inverse replicas

    Institute of Scientific and Technical Information of China (English)

    YE XiaoZhou; QI LiMin

    2014-01-01

    Monolayer colloidal crystals(MCCs)are two-dimensional(2D)colloidal crystals consisting of a monolayer of monodisperse colloidal particles arrayed with a 2D periodic order.In recent years,MCCs have attracted intensive interest because they can act as 2D photonic crystals and be used as versatile templates for fabrication of various 2D nanostructure arrays.In this review,we provide an overview of the recent progress in the controllable fabrication of MCCs and their inverse replicas.First,some newly-developed methods for the self-assembly of MCCs based on different strategies including interfacial assembly and convective assembly are introduced.Second,some representative novel methods regarding the fabrication of various functional2D inverse replicas of MCCs,such as 2D arrays of nanobowls,nanocaps,and hollow spheres,as well as 2D monolayer inverse opals(MIOs),are described.In addition,the potential applications of MCCs and their inverse replicas are discussed.

  2. Hamiltonian replica exchange molecular dynamics using soft-core interactions.

    Science.gov (United States)

    Hritz, Jozef; Oostenbrink, Chris

    2008-04-14

    To overcome the problem of insufficient conformational sampling within biomolecular simulations, we have developed a novel Hamiltonian replica exchange molecular dynamics (H-REMD) scheme that uses soft-core interactions between those parts of the system that contribute most to high energy barriers. The advantage of this approach over other H-REMD schemes is the possibility to use a relatively small number of replicas with locally larger differences between the individual Hamiltonians. Because soft-core potentials are almost the same as regular ones at longer distances, most of the interactions between atoms of perturbed parts will only be slightly changed. Rather, the strong repulsion between atoms that are close in space, which in many cases results in high energy barriers, is weakened within higher replicas of our proposed scheme. In addition to the soft-core interactions, we proposed to include multiple replicas using the same Hamiltonian/level of softness. We have tested the new protocol on the GTP and 8-Br-GTP molecules, which are known to have high energy barriers between the anti and syn conformation of the base with respect to the sugar moiety. During two 25 ns MD simulations of both systems the transition from the more stable to the less stable (but still experimentally observed) conformation is not seen at all. Also temperature REMD over 50 replicas for 1 ns did not show any transition at room temperature. On the other hand, more than 20 of such transitions are observed in H-REMD using six replicas (at three different Hamiltonians) during 6.8 ns per replica for GTP and 12 replicas (at six different Hamiltonians) during 8.7 ns per replica for 8-Br-GTP. The large increase in sampling efficiency was obtained from an optimized H-REMD scheme involving soft-core potentials, with multiple simulations using the same level of softness. The optimization of the scheme was performed by fast mimicking [J. Hritz and C. Oostenbrink, J. Chem. Phys. 127, 204104 (2007)].

  3. Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.

    Science.gov (United States)

    Zhang, Bin W; Dai, Wei; Gallicchio, Emilio; He, Peng; Xia, Junchao; Tan, Zhiqiang; Levy, Ronald M

    2016-08-25

    Replica exchange molecular dynamics is a multicanonical simulation technique commonly used to enhance the sampling of solvated biomolecules on rugged free energy landscapes. While replica exchange is relatively easy to implement, there are many unanswered questions about how to use this technique most efficiently, especially because it is frequently the case in practice that replica exchange simulations are not fully converged. A replica exchange cycle consists of a series of molecular dynamics steps of a set of replicas moving under different Hamiltonians or at different thermodynamic states followed by one or more replica exchange attempts to swap replicas among the different states. How the replica exchange cycle is constructed affects how rapidly the system equilibrates. We have constructed a Markov state model of replica exchange (MSMRE) using long molecular dynamics simulations of a host-guest binding system as an example, in order to study how different implementations of the replica exchange cycle can affect the sampling efficiency. We analyze how the number of replica exchange attempts per cycle, the number of MD steps per cycle, and the interaction between the two parameters affects the largest implied time scale of the MSMRE simulation. The infinite swapping limit is an important concept in replica exchange. We show how to estimate the infinite swapping limit from the diagonal elements of the exchange transition matrix constructed from MSMRE "simulations of simulations" as well as from relatively short runs of the actual replica exchange simulations.

  4. A Comparison between Cooperation Learning Method and Traditional Teaching Method with the Aim to Improve the Ability of Solving Math Problems

    Directory of Open Access Journals (Sweden)

    Ehsan Hassan-Nejad

    2015-12-01

    Full Text Available Closing a teaching method is one of the important stages of instructional design. Cooperation learning approach is considered as a new approach in teaching. Cooperation learning method is one of the most interesting teaching methods. Studies show that, among various factors (environmental and individual that affect learning and the learners' academic achievement, environmental factors play important roles. Henceforth, this issue seems necessary to enhance the quality of teaching and to increase the problem solving ability. Therefore, this study dealt with an investigation on the effect of cooperative learning method of teaching on enhancing the problem solving ability. The sample consisted of 60 students in the sixth grade elementary school, studying in city of Dezful, that through a math test, students' problem solving ability was investigated in this grade. Using independent t-test, statistical results for the independent samples, has shown that the ability of math problem solving of the students in cooperation learning is higher than this ability in traditional method.

  5. Towards an inpatient diabetes curriculum: medical student-generated aims, objectives and methods for ward-based learning of non-critical, non-perioperative inpatient diabetes care.

    Science.gov (United States)

    Taylor, C G; Atherley, A; Murphy, M M

    2016-06-01

    To create a summative document containing aims, objectives and methods that can be used for the training of healthcare professionals in inpatient diabetes care. A four-stage approach was introduced for the ward-based teaching of inpatient diabetes care at the University of the West Indies, Cave Hill over the 2014-2015 academic year. Within this approach, 55 students (100%) submitted aims, objectives and methods to support two 2-h, ward-based sessions. This was guided by brief instructions and access to a copy of the Endocrine Society Clinical Practice Guideline on the management of non-critical, non-perioperative inpatient diabetes. Conceptual content analysis was used to convert submissions into a unifying document. Six themes emerged from students' submissions: diagnosis; assessment and investigation of diabetes and its complications; planning individualized care and pharmacological management; hypoglycaemia management, including severe hypoglycaemia; patient education; discharge planning; and multidisciplinary teamwork. Students were primarily interested in patient management and treatment using higher-level objectives and active learning methods. This study produced comprehensive, student-generated, and hence student-centred, aims, objectives and methods for inpatient diabetes care with objectives appropriately set for higher cognitive levels of learning. This material can be used to guide teaching or for further development into a curriculum. This is the first known publication of content that could be used in a ward-based inpatient diabetes curriculum. © 2015 Diabetes UK.

  6. Replica calibration artefacts for optical 3D scanning of micro parts

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Carmignato, S.; Cantatore, Angela

    2009-01-01

    This work deals with development of calibration artefacts produced by using hard replica materials, achieving high quality geometrical reproduction of suitable reference artefacts, high stability, and high surface cooperativeness. An investigation was carried out using a replica material for dental...

  7. Data-Replicas Scheduler for Heterogeneous MapReduce Cluster

    Directory of Open Access Journals (Sweden)

    Yang Yang

    2013-05-01

    Full Text Available Large scale data processing has rapidly increased in nowadays. MapReduce programming model, which is firstly mentioned in functional languages, appeared in distributed system and perform excellently in large scale data processing since 2006. Hadoop, which is the most popular framework of open-sourced MapReduce runtime environment, supplies reliable, scalable and distributed system processing large scale data across clusters of computers using this virtue programming model. In this system, files are split into many blocks and all blocks are replicated over several computers in clusters. To process these blocks efficiently, each job runs parallel and is divided into many tasks which deals with a file block. In order to fully take advantage of network bandwidth these systems, data locality is paid more and more attentions. Considering the existence of data-replica blocks, we propose a data-replicas scheduler which includes task scheduling and data allocation. The data-replicas scheduler takes fully advantage of data replicas in local Data node, reduce the costs of data transfer and improve the system performance. The results of experiments show that our scheduler not only improves the CPU ratio, but also reduces the packets that transfer in the network.

  8. Replicas in Caravaggio's paintings: the correct use of scientific analysis

    Science.gov (United States)

    Diana, Maurizio; Moioli, Pietro; Seccaroni, Claudio

    1998-05-01

    Painting techniques and materials employed by Caravaggio are analyzed by X-ray fluorescence and radiography of unquestioned genuine works and compared to replicas of his earlier work. This approach is important in the attribution of recently discovered paintings and copies from the XVII century.

  9. Replica-Based High-Performance Tuple Space Computing

    DEFF Research Database (Denmark)

    Andric, Marina; De Nicola, Rocco; Lluch Lafuente, Alberto

    2015-01-01

    We present the tuple-based coordination language RepliKlaim, which enriches Klaim with primitives for replica-aware coordination. Our overall goal is to offer suitable solutions to the challenging problems of data distribution and locality in large-scale high performance computing. In particular,...

  10. Precision disablement aiming system

    Energy Technology Data Exchange (ETDEWEB)

    Monda, Mark J.; Hobart, Clinton G.; Gladwell, Thomas Scott

    2016-02-16

    A disrupter to a target may be precisely aimed by positioning a radiation source to direct radiation towards the target, and a detector is positioned to detect radiation that passes through the target. An aiming device is positioned between the radiation source and the target, wherein a mechanical feature of the aiming device is superimposed on the target in a captured radiographic image. The location of the aiming device in the radiographic image is used to aim a disrupter towards the target.

  11. Replica-exchange Wang Landau sampling: pushing the limits of Monte Carlo simulations in materials sciences

    Energy Technology Data Exchange (ETDEWEB)

    Perera, Meewanage Dilina N [ORNL; Li, Ying Wai [ORNL; Eisenbach, Markus [ORNL; Vogel, Thomas [Los Alamos National Laboratory (LANL); Landau, David P [University of Georgia, Athens

    2015-01-01

    We describe the study of thermodynamics of materials using replica-exchange Wang Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang Landau Monte Carlo method. To evaluate the performance and scalability of the method, we investigate the magnetic phase transition in body-centered cubic (bcc) iron using the classical Heisenberg model parameterized with first principles calculations. We demonstrate that our framework leads to a significant speedup without compromising the accuracy and precision and facilitates the study of much larger systems than is possible with its serial counterpart.

  12. Spontaneous versus explicit replica symmetry breaking in the theory of disordered systems

    Science.gov (United States)

    Mouhanna, D.; Tarjus, G.

    2010-05-01

    We investigate the relation between spontaneous and explicit replica symmetry breaking in the theory of disordered systems. On general ground, we prove the equivalence between the replicon operator associated with the stability of the replica-symmetric solution in the standard replica scheme and the operator signaling a breakdown of the solution with analytic field dependence in a scheme in which replica symmetry is explicitly broken by applied sources. This opens the possibility to study, via the recently developed functional renormalization group, unresolved questions related to spontaneous replica symmetry breaking and spin-glass behavior in finite-dimensional disordered systems.

  13. Conversational Analysis as a Method for Research on Intercultural Learning: A Report on a Project with the Aim of "Learning by Undertaking Research"

    Directory of Open Access Journals (Sweden)

    Gabriele Berkenbusch

    2009-01-01

    Full Text Available Conversational analysis—situated between pragmatic linguistics and qualitative empirical research—is a complex method, which needs a lot of time and dedication. It is necessary to develop a so-called “analytical mentality”. The aim of the project presented in this paper was to develop the theoretical insights and the practical skills of a group of students for this kind of research. They worked together throughout the duration of the project, especially in the collec¬tion of empiric material: i.e. the recording of conversations between foreign and German stu¬dents, the transcription of the material, a group discussion on the data and finally its analysis. This articles aims at showing what students can learn by doing this kind of work, based on examples of the collected empirical material: (1 they will be introduced to the different levels and stages of the research process and have the chance to develop a methodical and methodological competence; (2 their general communicative competences and their special competences of the foreign language will increase, as well as (3 their knowledge of intercultural learning by working with authentic data of intercultural communication. So, for instance, stereotypes and how they have been constructed during the interaction may be analysed and precisely described on a micro-analytical level. URN: urn:nbn:de:0114-fqs0901335

  14. Replica exchange molecular simulation of Lennard-Jones particles in a two-dimensional confined system

    Science.gov (United States)

    Doi, Hideo; Yasuoka, Kenji

    2017-05-01

    Confined systems exhibit interesting properties that are applied to the fields of lubrication, adhesion and nanotechnology. The replica exchange molecular simulation method was applied to calculate the phase equilibrium points of Lennard-Jones particles in a two-dimensional confined system. The liquid-solid phase equilibrium points and the solid structure with a dependency of the slit width were determined and the order parameter of the solid structure was analyzed. Such confined systems are shown to be favorable for manipulation of the phase equilibrium points.

  15. Anti-stiction coating of PDMS moulds for rapid microchannel fabrication by double replica moulding

    DEFF Research Database (Denmark)

    Zhuang, Guisheng; Kutter, Jörg Peter

    2011-01-01

    ), which resulted in an anti-stiction layer for the improved release after PDMS casting. The deposition of FDTS on an O2 plasma-activated surface of PDMS produced a reproducible and well-performing anti-stiction monolayer of fluorocarbon, and we used the FDTS-coated moulds as micro-masters for rapid......In this paper, we report a simple and precise method to rapidly replicate master structures for fast microchannel fabrication by double replica moulding of polydimethylsiloxane (PDMS). A PDMS mould was surface-treated by vapour phase deposition of 1H,1H,2H,2H-perfluorodecyltrichlorosilane (FDTS...

  16. Precision laser aiming system

    Science.gov (United States)

    Ahrens, Brandon R.; Todd, Steven N.

    2009-04-28

    A precision laser aiming system comprises a disrupter tool, a reflector, and a laser fixture. The disrupter tool, the reflector and the laser fixture are configurable for iterative alignment and aiming toward an explosive device threat. The invention enables a disrupter to be quickly and accurately set up, aligned, and aimed in order to render safe or to disrupt a target from a standoff position.

  17. Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis.

    Science.gov (United States)

    Xia, Junchao; Flynn, William F; Gallicchio, Emilio; Zhang, Bin W; He, Peng; Tan, Zhiqiang; Levy, Ronald M

    2015-09-05

    We describe methods to perform replica exchange molecular dynamics (REMD) simulations asynchronously (ASyncRE). The methods are designed to facilitate large scale REMD simulations on grid computing networks consisting of heterogeneous and distributed computing environments as well as on homogeneous high-performance clusters. We have implemented these methods on NSF (National Science Foundation) XSEDE (Extreme Science and Engineering Discovery Environment) clusters and BOINC (Berkeley Open Infrastructure for Network Computing) distributed computing networks at Temple University and Brooklyn College at CUNY (the City University of New York). They are also being implemented on the IBM World Community Grid. To illustrate the methods, we have performed extensive (more than 60 ms in aggregate) simulations for the beta-cyclodextrin-heptanoate host-guest system in the context of one- and two-dimensional ASyncRE, and we used the results to estimate absolute binding free energies using the binding energy distribution analysis method. We propose ways to improve the efficiency of REMD simulations: these include increasing the number of exchanges attempted after a specified molecular dynamics (MD) period up to the fast exchange limit and/or adjusting the MD period to allow sufficient internal relaxation within each thermodynamic state. Although ASyncRE simulations generally require long MD periods (>picoseconds) per replica exchange cycle to minimize the overhead imposed by heterogeneous computing networks, we found that it is possible to reach an efficiency similar to conventional synchronous REMD, by optimizing the combination of the MD period and the number of exchanges attempted per cycle.

  18. ATLAS Replica Management in Rucio: Replication Rules and Subscriptions

    CERN Document Server

    Barisits, M; The ATLAS collaboration; Garonne, V; Lassnig, M; Stewart, G; Beermann, T; Vigne, R; Goossens, L; Nairz, A; Molfetas, A

    2014-01-01

    The ATLAS Distributed Data Management system stores more than 150PB of physics data across 120 sites globally. To cope with the anticipated ATLAS workload of the coming decade, Rucio, the next-generation data management system has been developed. Replica management, as one of the keys aspects of the system, has to satisfy critical performance requirements in order to keep pace with the experiment’s high rate of continual data generation. The challenge lies in meeting these performance objectives while still giving the system users and applications a powerful toolkit to control their data workflows. In this work we present the concept, design and implementation of the replica management in Rucio. We will specifically introduce the workflows behind replication rules, their formal language definition, weighting and site selection. Furthermore we will present the subscription component, which offers functionality for users to proclaim interest in data that has not been created yet. This contribution describes t...

  19. ATLAS Replica Management in Rucio: Replication Rules and Subscriptions

    CERN Document Server

    Barisits, M; The ATLAS collaboration; Garonne, V; Lassnig, M; Stewart, G; Beermann, T; Vigne, R; Goossens, L; Nairz, A; Molfetas, A

    2013-01-01

    The ATLAS Distributed Data Management system stores more than 150PB of physics data across 120 sites globally. To cope with the anticipated ATLAS workload of the coming decade, Rucio, the next-generation data management system has been developed. Replica management, as one of the keys aspects of the system, has to satisfy critical performance requirements in order to keep pace with the experiment’s high rate of continual data generation. The challenge lies in meeting these performance objectives while still giving the system users and applications a powerful toolkit to control their data workflows. In this work we present the concept, design and implementation of the replica management in Rucio. We will specifically introduce the workflows behind replication rules, their formal language definition, weighting and site selection. Furthermore we will present the subscription component, which offers functionality for users to proclaim interest in data that has not been created yet. This contribution describes t...

  20. Replica symmetry breaking in cold atoms and spin glasses

    Science.gov (United States)

    Rotondo, P.; Tesio, E.; Caracciolo, S.

    2015-01-01

    We consider a system composed by N atoms trapped within a multimode cavity, whose theoretical description is captured by a disordered multimode Dicke model. We show that in the resonant, zero-field limit the system exactly realizes the Sherrington-Kirkpatrick model. Upon a redefinition of the temperature, the same dynamics is realized in the dispersive, strong-field limit. This regime also gives access to spin-glass observables which can be used to detect replica symmetry breaking.

  1. Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach.

    Science.gov (United States)

    Curuksu, Jeremy; Zacharias, Martin

    2009-03-14

    Although molecular dynamics (MD) simulations have been applied frequently to study flexible molecules, the sampling of conformational states separated by barriers is limited due to currently possible simulation time scales. Replica-exchange (Rex)MD simulations that allow for exchanges between simulations performed at different temperatures (T-RexMD) can achieve improved conformational sampling. However, in the case of T-RexMD the computational demand grows rapidly with system size. A Hamiltonian RexMD method that specifically enhances coupled dihedral angle transitions has been developed. The method employs added biasing potentials as replica parameters that destabilize available dihedral substates and was applied to study coupled dihedral transitions in nucleic acid molecules. The biasing potentials can be either fixed at the beginning of the simulation or optimized during an equilibration phase. The method was extensively tested and compared to conventional MD simulations and T-RexMD simulations on an adenine dinucleotide system and on a DNA abasic site. The biasing potential RexMD method showed improved sampling of conformational substates compared to conventional MD simulations similar to T-RexMD simulations but at a fraction of the computational demand. It is well suited to study systematically the fine structure and dynamics of large nucleic acids under realistic conditions including explicit solvent and ions and can be easily extended to other types of molecules.

  2. [Aiming for zero blindness].

    Science.gov (United States)

    Nakazawa, Toru

    2015-03-01

    -independent factors, as well as our investigation of ways to improve the clinical evaluation of the disease. Our research was prompted by the multifactorial nature of glaucoma. There is a high degree of variability in the pattern and speed of the progression of visual field defects in individual patients, presenting a major obstacle for successful clinical trials. To overcome this, we classified the eyes of glaucoma patients into 4 types, corresponding to the 4 patterns of glaucomatous optic nerve head morphology described: by Nicolela et al. and then tested the validity of this method by assessing the uniformity of clinical features in each group. We found that in normal tension glaucoma (NTG) eyes, each disc morphology group had a characteristic location in which the loss of circumpapillary retinal nerve fiber layer thickness (cpRNFLT; measured with optical coherence tomography: OCT) was most likely to occur. Furthermore, the incidence of reductions in visual acuity differed between the groups, as did the speed of visual field loss, the distribution of defective visual field test points, and the location of test points that were most susceptible to progressive damage, measured by Humphrey static perimetry. These results indicate that Nicolela's method of classifying eyes with glaucoma was able to overcome the difficulties caused by the diverse nature of the disease, at least to a certain extent. Building on these findings, we then set out to identify sectors of the visual field that correspond to the distribution of retinal nerve fibers, with the aim of detecting glaucoma progression with improved sensitivity. We first mapped the statistical correlation between visual field test points and cpRNFLT in each temporal clock-hour sector (from 6 to 12 o'clock), using OCT data from NTG patients. The resulting series of maps allowed us to identify areas containing visual field test points that were prone to be affected together as a group. We also used a similar method to identify visual

  3. A Novel Method of Evaluating Knee Joint Stability of Patients with Knee Osteoarthritis: Multiscale Entropy Analysis with A Knee-Aiming Task.

    Science.gov (United States)

    Zhou, Diange; Zhang, Shijie; Zhang, Hui; Jiang, Long; Zhang, Jue; Fang, Jing

    2017-03-23

    Deteriorating knee stability is a local risk factor that reflects the occurrence and aggregative of osteoarthritis (OA). Despite the many biomechanics-based methods for assessing the structural stability of knee joints in clinics, these methods have many limitations. The stability of the knee joint relies on not only biomechanical factors, but also proprioception and the central nervous system. In this study, we attempt to depict the stability of knee joint from a holistic viewpoint, and a novel index of knee joint stability (IKJS) was thus extracted. We compared the differences of IKJS in 57 healthy volunteers and 55 patients with OA before and after total knee replacement (TKR). Analysis of Variance results demonstrated that there existed significant differences in IKJS among the three participating groups (knee OA increased remarkably after TKR (p knee-aiming task is feasible for quantitatively determining knee stability. It can provide a potentially valuable and convenient tool to evaluate the effect of postoperative rehabilitation for patients with knee OA.

  4. GEP-based method to formulate adhesion strength and hardness of Nb PVD coated on Ti-6Al-7Nb aimed at developing mixed oxide nanotubular arrays.

    Science.gov (United States)

    Rafieerad, A R; Bushroa, A R; Nasiri-Tabrizi, B; Fallahpour, A; Vadivelu, J; Musa, S N; Kaboli, S H A

    2016-08-01

    PVD process as a thin film coating method is highly applicable for both metallic and ceramic materials, which is faced with the necessity of choosing the correct parameters to achieve optimal results. In the present study, a GEP-based model for the first time was proposed as a safe and accurate method to predict the adhesion strength and hardness of the Nb PVD coated aimed at growing the mixed oxide nanotubular arrays on Ti67. Here, the training and testing analysis were executed for both adhesion strength and hardness. The optimum parameter combination for the scratch adhesion strength and micro hardness was determined by the maximum mean S/N ratio, which was 350W, 20 sccm, and a DC bias of 90V. Results showed that the values calculated in the training and testing in GEP model were very close to the actual experiments designed by Taguchi. The as-sputtered Nb coating with highest adhesion strength and microhardness was electrochemically anodized at 20V for 4h. From the FESEM images and EDS results of the annealed sample, a thick layer of bone-like apatite was formed on the sample surface after soaking in SBF for 10 days, which can be connected to the development of a highly ordered nanotube arrays. This novel approach provides an outline for the future design of nanostructured coatings for a wide range of applications.

  5. Connexin composition in apposed gap junction hemiplaques revealed by matched double-replica freeze-fracture replica immunogold labeling.

    Science.gov (United States)

    Rash, John E; Kamasawa, Naomi; Davidson, Kimberly G V; Yasumura, Thomas; Pereda, Alberto E; Nagy, James I

    2012-06-01

    Despite the combination of light-microscopic immunocytochemistry, histochemical mRNA detection techniques and protein reporter systems, progress in identifying the protein composition of neuronal versus glial gap junctions, determination of the differential localization of their constituent connexin proteins in two apposing membranes and understanding human neurological diseases caused by connexin mutations has been problematic due to ambiguities introduced in the cellular and subcellular assignment of connexins. Misassignments occurred primarily because membranes and their constituent proteins are below the limit of resolution of light microscopic imaging techniques. Currently, only serial thin-section transmission electron microscopy and freeze-fracture replica immunogold labeling have sufficient resolution to assign connexin proteins to either or both sides of gap junction plaques. However, freeze-fracture replica immunogold labeling has been limited because conventional freeze fracturing allows retrieval of only one of the two membrane fracture faces within a gap junction, making it difficult to identify connexin coupling partners in hemiplaques removed by fracturing. We now summarize progress in ascertaining the connexin composition of two coupled hemiplaques using matched double-replicas that are labeled simultaneously for multiple connexins. This approach allows unambiguous identification of connexins and determination of the membrane "sidedness" and the identities of connexin coupling partners in homotypic and heterotypic gap junctions of vertebrate neurons.

  6. LCoMotion - Learning, Cognition and Motion; a multicomponent cluster randomized school-based intervention aimed at increasing learning and cognition - rationale, design and methods.

    Science.gov (United States)

    Bugge, Anna; Tarp, Jakob; Østergaard, Lars; Domazet, Sidsel Louise; Andersen, Lars Bo; Froberg, Karsten

    2014-09-18

    The aim of the study; LCoMotion - Learning, Cognition and Motion was to develop, document, and evaluate a multi-component physical activity (PA) intervention in public schools in Denmark. The primary outcome was cognitive function. Secondary outcomes were academic skills, body composition, aerobic fitness and PA. The primary aim of the present paper was to describe the rationale, design and methods of the LCoMotion study. LCoMotion was designed as a cluster-randomized controlled study. Fourteen schools from all five regions in Denmark participated. All students from 6th and 7th grades were invited to participate (n = 869) and consent was obtained for 87% (n = 759). Baseline measurements were obtained in November/December 2013 and follow-up measurements in May/June 2014. The intervention lasted five months and consisted of a "package" of three main components: PA during academic lessons, PA during recess and PA homework. Furthermore a cycling campaign was conducted during the intervention period. Intervention schools should endeavor to ensure that students were physically active for at least 60 min every school day. Cognitive function was measured by a modified Eriksen flanker task and academic skills by a custom made mathematics test. PA was objectively measured by accelerometers (ActiGraph, GT3X and GT3X+) and aerobic fitness assessed by an intermittent shuttle-run test (the Andersen intermittent running test). Furthermore, compliance with the intervention was assessed by short message service (SMS)-tracking and questionnaires were delivered to students, parents and teachers. LCoMotion has ability to provide new insights on the effectiveness of a multicomponent intervention on cognitive function and academic skills in 6th and 7th grade students. Clinicaltrials.gov: NCT02012881 (10/10/2013).

  7. Computing Alchemical Free Energy Differences with Hamiltonian Replica Exchange Molecular Dynamics (H-REMD) Simulations.

    Science.gov (United States)

    Meng, Yilin; Dashti, Danial Sabri; Roitberg, Adrian E

    2011-09-13

    Alchemical free energy calculations play a very important role in the field of molecular modeling. Efforts have been made to improve the accuracy and precision of those calculations. One of the efforts is to employ a Hamiltonian replica exchange molecular dynamics (H-REMD) method to enhance conformational sampling. In this paper, we demonstrated that HREMD method not only improves convergence in alchemical free energy calculations but also can be used to compute free energy differences directly via the Free Energy Perturbation (FEP)algorithm. We show a direct mapping between the H-REMD and the usual FEP equations, which are then used directly to compute free energies. The H-REMD alchemical free energy calculation (Replica exchange Free Energy Perturbation, REFEP) was tested on predicting the pK(a) value of the buried Asp26 in thioredoxin. We compare the results of REFEP with TI and regular FEP simulations. REFEP calculations converged faster than those from TI and regular FEP simulations. The final predicted pK(a) value from the H-REMD simulation was also very accurate, only 0.4 pK(a) unit above the experimental value. Utilizing the REFEP algorithm significantly improves conformational sampling, and this in turn improves the convergence of alchemical free energy simulations.

  8. AIMES Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Katz, Daniel S [Univ. of Illinois, Urbana-Champaign, IL (United States). National Center for Supercomputing Applications (NCSA); Jha, Shantenu [Rutgers Univ., New Brunswick, NJ (United States); Weissman, Jon [Univ. of Minnesota, Minneapolis, MN (United States); Turilli, Matteo [Rutgers Univ., New Brunswick, NJ (United States)

    2017-01-31

    This is the final technical report for the AIMES project. Many important advances in science and engineering are due to large-scale distributed computing. Notwithstanding this reliance, we are still learning how to design and deploy large-scale production Distributed Computing Infrastructures (DCI). This is evidenced by missing design principles for DCI, and an absence of generally acceptable and usable distributed computing abstractions. The AIMES project was conceived against this backdrop, following on the heels of a comprehensive survey of scientific distributed applications. AIMES laid the foundations to address the tripartite challenge of dynamic resource management, integrating information, and portable and interoperable distributed applications. Four abstractions were defined and implemented: skeleton, resource bundle, pilot, and execution strategy. The four abstractions were implemented into software modules and then aggregated into the AIMES middleware. This middleware successfully integrates information across the application layer (skeletons) and resource layer (Bundles), derives a suitable execution strategy for the given skeleton and enacts its execution by means of pilots on one or more resources, depending on the application requirements, and resource availabilities and capabilities.

  9. AIM Data Services

    Directory of Open Access Journals (Sweden)

    Michael Scholz

    2016-05-01

    Full Text Available AIM Data Services as a virtual facility provides virtual 3D reference tracks for simulation applications in the domain of automotive and railway systems. It offers tools for management and analysis of experiment data and a platform for survey and processing of vehicle data in the public transport domain. Collected spatial data is bundled in a database cluster and published through common web mapping interfaces.

  10. Aims of the Workshop

    CERN Document Server

    Dornan, P J

    2010-01-01

    There are challenges and opportunities for the European particle physics community to engage with innovative and exciting developments which could lead to precision measurements in the neutrino sector. These have the potential to yield significant advances in the understanding of CP violation, the flavour riddle and theories beyond the Standard Model. This workshop aims to start the process of a dialogue in Europe so that informed decisions on the appropriate directions to pursue can be made in a few years time.

  11. Aims and Scope

    Institute of Scientific and Technical Information of China (English)

    2015-01-01

    Chinese Nursing Research(CNR)is the official peer-reviewed research journal and an international platform of nursing academic exchange.This journal aims to promote excellence in nursing and health care through the dissemination of the latest,evidence-based,peer-reviewed research report,academic papers,review articles and clinical research,to reflect nursing academic trends,scientific research and

  12. Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas.

    Science.gov (United States)

    Townson, Jason L; Lin, Yu-Shen; Chou, Stanley S; Awad, Yasmine H; Coker, Eric N; Brinker, C Jeffrey; Kaehr, Bryan

    2014-12-08

    Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further high temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. The simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.

  13. Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.

    Science.gov (United States)

    Wang, Kai; Chodera, John D; Yang, Yanzhi; Shirts, Michael R

    2013-12-01

    We present a method to identify small molecule ligand binding sites and poses within a given protein crystal structure using GPU-accelerated Hamiltonian replica exchange molecular dynamics simulations. The Hamiltonians used vary from the physical end state of protein interacting with the ligand to an unphysical end state where the ligand does not interact with the protein. As replicas explore the space of Hamiltonians interpolating between these states, the ligand can rapidly escape local minima and explore potential binding sites. Geometric restraints keep the ligands from leaving the vicinity of the protein and an alchemical pathway designed to increase phase space overlap between intermediates ensures good mixing. Because of the rigorous statistical mechanical nature of the Hamiltonian exchange framework, we can also extract binding free energy estimates for all putative binding sites. We present results of this methodology applied to the T4 lysozyme L99A model system for three known ligands and one non-binder as a control, using an implicit solvent. We find that our methodology identifies known crystallographic binding sites consistently and accurately for the small number of ligands considered here and gives free energies consistent with experiment. We are also able to analyze the contribution of individual binding sites to the overall binding affinity. Our methodology points to near term potential applications in early-stage structure-guided drug discovery.

  14. PHYSICAL DISABILITY, STIGMA, AND PHYSICAL ACTIVITY IN CHILDREN: A REPLICA STUDY

    Directory of Open Access Journals (Sweden)

    Markus GEBHARDT

    2016-04-01

    Full Text Available Introduction: Stereotypes can be reduced through positive descriptions. A stigma that able-bodied adults have towards children with physical disability can be reduced when the child is portrayed as being active. The study found out that a sporty active child, who uses a wheelchair, is perceived as more competent than the sporty active able-bodied child. Objective: This study is a replica study to support the hypotheses and to examine the stereotypes of able-bodied adults towards children with and without (physical disabilities. Methods: This study presents two experimental replica studies using a 2 (physical activity x 2 (sporty activities. The dependent variables were the perception of competencies and warmth according to Stereotype Content Model (SCM. Study 1 is an online experiment with 355 students of the Open University of Hagen. Study 2 surveys 1176 participants (from Munich and Graz with a paper-pencil-questionnaire. Results: The significant interaction effect was not supported by our studies. The sporty able-bodied child was rated higher in competences than the sporty child, who use a wheelchair. Sporting activity only reduces the stigma towards children with a physical disability slightly. Conclusion: The stigma towards children with physical disability can be reduced when the child is portrayed as being active, but the effect was not strong enough to chance the original classification by the SCM.

  15. Biomimetic zinc oxide replica with structural color using butterfly (Ideopsis similis) wings as templates.

    Science.gov (United States)

    Zhang, Wang; Zhang, Di; Fan, Tongxiang; Ding, Jian; Gu, Jiajun; Guo, Qixin; Ogawa, Hiroshi

    2006-09-01

    Nano-structured colorful zinc oxide (ZnO) replicas were produced using the wings of the Ideopsis similis butterfly as templates. The ZnO replicas we obtained exhibit iridescence, which was clearly observed under an optical microscope (OM). Field emission scanning electron microscope analysis shows that all the microstructure details are maintained faithfully in the ZnO replica. A computer model was established to simulate the diffraction spectral results, which agreed well with the OM images.

  16. Aiming for the ordinary

    DEFF Research Database (Denmark)

    Offersen, Sara Marie Hebsgaard

    and articulation of bodily sensations, and how decisions about healthcare seeking are established in this context. This dissertation aims to explore these matters from the perspective of the Danish middle class, mainly focusing on how sensations are ascribed meaning as symptoms and how they are evoked...... months of ethnographic fieldwork in a Danish middle class suburban neighbourhood, using participant observation, semi-structured interviews and health diaries. 18 key informants were followed with regular field visits, interviews and participation in everyday life activities as well as health...

  17. AIMES Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Jha, Shantenu [Rutgers Univ., New Brunswick, NJ (United States)

    2017-01-31

    Many important advances in science and engineering are due to large-scale distributed computing. Notwithstanding this reliance, we are still learning how to design and deploy large-scale production Distributed Computing Infrastructures (DCI). The AIMES project was conceived against this backdrop, following on the heels of a comprehensive survey of scienti c distributed applications [1]. The survey established, arguably for the rst time, the relationship between infrastructure and scienti c distributed applications. It examined well known contributors to the complexity associated with infrastructure, such as inconsistent internal and external interfaces, and demonstrated the correlation with application brittleness. It discussed how infrastructure complexity reinforces the challenges inherent in developing distributed applications.

  18. Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations.

    Science.gov (United States)

    Jiang, Wei; Roux, Benoît

    2010-07-01

    Free Energy Perturbation with Replica Exchange Molecular Dynamics (FEP/REMD) offers a powerful strategy to improve the convergence of free energy computations. In particular, it has been shown previously that a FEP/REMD scheme allowing random moves within an extended replica ensemble of thermodynamic coupling parameters "lambda" can improve the statistical convergence in calculations of absolute binding free energy of ligands to proteins [J. Chem. Theory Comput. 2009, 5, 2583]. In the present study, FEP/REMD is extended and combined with an accelerated MD simulations method based on Hamiltonian replica-exchange MD (H-REMD) to overcome the additional problems arising from the existence of kinetically trapped conformations within the protein receptor. In the combined strategy, each system with a given thermodynamic coupling factor lambda in the extended ensemble is further coupled with a set of replicas evolving on a biased energy surface with boosting potentials used to accelerate the inter-conversion among different rotameric states of the side chains in the neighborhood of the binding site. Exchanges are allowed to occur alternatively along the axes corresponding to the thermodynamic coupling parameter lambda and the boosting potential, in an extended dual array of coupled lambda- and H-REMD simulations. The method is implemented on the basis of new extensions to the REPDSTR module of the biomolecular simulation program CHARMM. As an illustrative example, the absolute binding free energy of p-xylene to the nonpolar cavity of the L99A mutant of T4 lysozyme was calculated. The tests demonstrate that the dual lambda-REMD and H-REMD simulation scheme greatly accelerates the configurational sampling of the rotameric states of the side chains around the binding pocket, thereby improving the convergence of the FEP computations.

  19. REPLICA ORNSTEIN-ZERNIKE EQUATIONS FOR POSITIONALLY FROZEN HEISENBERG SYSTEMS

    Directory of Open Access Journals (Sweden)

    E.Lomba

    2003-01-01

    Full Text Available We present the formulation of the Replica Ornstein-Zernike equations for a model of positionally frozen disordered Heisenberg spin system. The results are obtained for various models, one in which the particle positions correspond to a frozen hard sphere fluid, another system in which the configurations are generated by a random insertion of hard spheres, a system of randomly distributed spins, and finally a system corresponding to a soft sphere fluid quenched at high and low temperatures. We will see that the orientational structure of the spin system is fairly well reproduced by the integral equation which, however, does not correctly account for the critical behaviour.

  20. The VicGeneration study - a birth cohort to examine the environmental, behavioural and biological predictors of early childhood caries: background, aims and methods

    Science.gov (United States)

    2010-01-01

    Background Dental caries (decay) during childhood is largely preventable however it remains a significant and costly public health concern, identified as the most prevalent chronic disease of childhood. Caries in children aged less than five years (early childhood caries) is a rapid and progressive disease that can be painful and debilitating, and significantly increases the likelihood of poor child growth, development and social outcomes. Early childhood caries may also result in a substantial social burden on families and significant costs to the public health system. A disproportionate burden of disease is also experienced by disadvantaged populations. Methods/Design This study involves the establishment of a birth cohort in disadvantaged communities in Victoria, Australia. Children will be followed for at least 18 months and the data gathered will explore longitudinal relationships and generate new evidence on the natural history of early childhood caries, the prevalence of the disease and relative contributions of risk and protective biological, environmental and behavioural factors. Specifically, the study aims to: 1. Describe the natural history of early childhood caries (at ages 1, 6, 12 and 18 months), tracking pathways from early bacterial colonisation, through non-cavitated enamel white spot lesions to cavitated lesions extending into dentine. 2. Enumerate oral bacterial species in the saliva of infants and their primary care giver. 3. Identify the strength of concurrent associations between early childhood caries and putative risk and protective factors, including biological (eg microbiota, saliva), environmental (fluoride exposure) and socio-behavioural factors (proximal factors such as: feeding practices and oral hygiene; and distal factors such as parental health behaviours, physical health, coping and broader socio-economic conditions). 4. Quantify the longitudinal relationships between these factors and the development and progression of early

  1. The VicGeneration study - a birth cohort to examine the environmental, behavioural and biological predictors of early childhood caries: background, aims and methods

    Directory of Open Access Journals (Sweden)

    Dashper Stuart

    2010-02-01

    Full Text Available Abstract Background Dental caries (decay during childhood is largely preventable however it remains a significant and costly public health concern, identified as the most prevalent chronic disease of childhood. Caries in children aged less than five years (early childhood caries is a rapid and progressive disease that can be painful and debilitating, and significantly increases the likelihood of poor child growth, development and social outcomes. Early childhood caries may also result in a substantial social burden on families and significant costs to the public health system. A disproportionate burden of disease is also experienced by disadvantaged populations. Methods/Design This study involves the establishment of a birth cohort in disadvantaged communities in Victoria, Australia. Children will be followed for at least 18 months and the data gathered will explore longitudinal relationships and generate new evidence on the natural history of early childhood caries, the prevalence of the disease and relative contributions of risk and protective biological, environmental and behavioural factors. Specifically, the study aims to: 1. Describe the natural history of early childhood caries (at ages 1, 6, 12 and 18 months, tracking pathways from early bacterial colonisation, through non-cavitated enamel white spot lesions to cavitated lesions extending into dentine. 2. Enumerate oral bacterial species in the saliva of infants and their primary care giver. 3. Identify the strength of concurrent associations between early childhood caries and putative risk and protective factors, including biological (eg microbiota, saliva, environmental (fluoride exposure and socio-behavioural factors (proximal factors such as: feeding practices and oral hygiene; and distal factors such as parental health behaviours, physical health, coping and broader socio-economic conditions. 4. Quantify the longitudinal relationships between these factors and the development and

  2. Study on occlusal morphology after CAD/CAM zirconia restoration using silicone replica method%氧化锆单冠制作过程中使用硅橡胶复制法对咬合面形态的影响

    Institute of Scientific and Technical Information of China (English)

    王金平; 赵彬; 曹婷婷; 王华

    2013-01-01

    Objective To establish an individualized CAD/CAM zirconia restoration method using silicon replica and investigate its effect on occlusal morphology.Methods Eight super-hard plaster models were created from a set of standardized dental resin model produced by Nissin as controls.A standard all-ceramic FDP of left maxillary first molar was accommodated on the set of standardized dental resin model,and then forty-eight super-hard plaster models were created and divided into two groups.Twenty-four of them were selected randomly to evaluate the occlusal morphology.And the other twenty-four were used to fabricate CAD/CAM zirconia restorations,and divided into three groups:individualized group,one-molding-processing group,two-molding-processing group.The distribution and area of occlusal contact were investigated using three-dimensional analysis method for digital dental casts and compared with control group.Results The areas of occlusal contact showed no significant difference between individualized group and control group at maximum intermaxillary distance of 16 μm and 40 μm (P > 0.05).The areas of occlusal contact in individualized group at maximum intermaxillary distance of 100 μm were less than that in control group (P < 0.05).Statistically significant difference was found in areas of occlusal contact between the other two groups and control group (P < 0.001).The distribution and areas of occlusal contact in individualized group (occlusal stabilization 87.5%) and control group (occlusal stabilization 100%) were mostly consistent.Conclusion CAD/CAM technique combined with silicone replica method enables a closer reconstruction of teeth than traditional one-molding-processing and two-molding-processing method.%目的 应用硅橡胶复制法建立一种个性化氧化锆单冠的设计制作方法,评价该方法对其咬合面形态的影响. 方法 用超硬石膏翻制日进标准树脂模型8副作为对照组.将左侧上颌第一磨牙对应的标

  3. Replica exchange molecular dynamics optimization of tensor network states for quantum many-body systems.

    Science.gov (United States)

    Liu, Wenyuan; Wang, Chao; Li, Yanbin; Lao, Yuyang; Han, Yongjian; Guo, Guang-Can; Zhao, Yong-Hua; He, Lixin

    2015-03-01

    Tensor network states (TNS) methods combined with the Monte Carlo (MC) technique have been proven a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of the tensors, it is easy to get stuck in local minima when optimizing the TNS of the simulated physical systems. To overcome this difficulty, we introduce a replica-exchange molecular dynamics optimization algorithm to obtain the TNS ground state, based on the MC sampling technique, by mapping the energy function of the TNS to that of a classical mechanical system. The method is expected to effectively avoid local minima. We make benchmark tests on a 1D Hubbard model based on matrix product states (MPS) and a Heisenberg J1-J2 model on square lattice based on string bond states (SBS). The results show that the optimization method is robust and efficient compared to the existing results.

  4. A method of teaching critical care skills to undergraduate student midwives using the Maternal-Acute Illness Management (M-AIM) training day.

    Science.gov (United States)

    McCarthy, Rose; Nuttall, Janet; Smith, Joyce; Hollins Martin, Caroline J

    2014-11-01

    The most recent Confidential Enquiry into Maternal Deaths (CMACE, 2011) identified human errors, specifically those of midwives and obstetricians/doctors as a fundamental component in contributing to maternal death in the U.K. This paper discusses these findings and outlines a project to provide training in Maternal-Acute Illness Management (M-AIM) to final year student midwives. Contents of the program are designed to educate and simulate AIM skills and increase confidence and clinical ability in early recognition, management and referral of the acutely ill woman. An outline of the Maternal-AIM program delivered at the University of Salford (Greater Manchester, UK) is presented to illustrate how this particular institution has responded to a perceived need voiced by local midwifery leaders. It is proposed that developing this area of expertise in the education system will better prepare student midwives for contemporary midwifery practice.

  5. Chiang Mai University Health Worker Study aiming toward a better understanding of noncommunicable disease development in Thailand: methods and description of study population

    Directory of Open Access Journals (Sweden)

    Angkurawaranon C

    2014-08-01

    Full Text Available Chaisiri Angkurawaranon,1,2 Anawat Wisetborisut,2 Wichuda Jiraporncharoen,2 Surinporn Likhitsathian,3 Ronnaphob Uaphanthasath,2 Patama Gomutbutra,2 Surin Jiraniramai,2 Chawin Lerssrimonkol,2 Apinun Aramrattanna,2 Pat Doyle,1 Dorothea Nitsch1 1Department of Non-Communicable Disease Epidemiology, Faculty of Epidemiology and Population Health, London School of Hygiene and Tropical Medicine, London, UK; 2Department of Family Medicine, Faculty of Medicine, Chiang Mai University, Chiang Mai, Thailand; 3Department of Psychiatry, Faculty of Medicine, Chiang Mai University, Chiang Mai, Thailand Background: Urbanization is considered to be one of the key drivers of noncommunicable diseases (NCDs in Thailand and other developing countries. These influences, in turn, may affect an individual's behavior and risk of developing NCDs. The Chiang Mai University (CMU Health Worker Study aims to provide evidence for a better understanding of the development of NCDs and ultimately to apply the evidence toward better prevention, risk modification, and improvement of clinical care for patients with NCDs and NCD-related conditions. Methods: A cross-sectional survey of health care workers from CMU Hospital was conducted between January 2013 and June 2013. Questionnaires, interviews, and physical and laboratory examinations were used to assess urban exposure, occupational shift work, risk factors for NCDs, self-reported NCDs, and other NCD-related health conditions. Results: From 5,364 eligible workers, 3,204 participated (59.7%. About 11.1% of the participants had high blood pressure (systolic blood pressure ≥140 mmHg or diastolic blood pressure ≥90 mmHg and almost 30% were considered to be obese (body mass index ≥25 kg/m2. A total of 2.3% had a high fasting blood glucose level (≥126 mg/dL, and the most common abnormal lipid profile was high low-density lipoprotein (≥160 mg/dL, which was found in 19.2% of participants. Discussion: The study of health

  6. Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

    CERN Document Server

    Wabik, Jacek; Gront, Dominik; Kouza, Maksim; Kolinski, Andrzej

    2013-01-01

    We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems.

  7. Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Andrzej Koliński

    2013-05-01

    Full Text Available We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems.

  8. Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.

    Science.gov (United States)

    Wabik, Jacek; Kmiecik, Sebastian; Gront, Dominik; Kouza, Maksim; Koliński, Andrzej

    2013-05-10

    We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems.

  9. Three-dimensional nanometrology of microstructures by replica molding and large-range atomic force microscopy

    DEFF Research Database (Denmark)

    Stöhr, Frederik; Michael-Lindhard, Jonas; Simons, Hugh

    2015-01-01

    We have used replica molding and large-range atomic force microscopy to characterize the threedimensional shape of high aspect ratio microstructures. Casting inverted replicas of microstructures using polydimethylsiloxane (PDMS) circumvents the inability of AFM probes to measure deep and narrow c...

  10. A Novel General Chemistry Laboratory: Creation of Biomimetic Superhydrophobic Surfaces through Replica Molding

    Science.gov (United States)

    Verbanic, Samuel; Brady, Owen; Sanda, Ahmed; Gustafson, Carolina; Donhauser, Zachary J.

    2014-01-01

    Biomimetic replicas of superhydrophobic lotus and taro leaf surfaces can be made using polydimethylsiloxane. These replicas faithfully reproduce the microstructures of the leaves' surface and can be analyzed using contact angle goniometry, self-cleaning experiments, and optical microscopy. These simple and adaptable experiments were used to…

  11. A Novel General Chemistry Laboratory: Creation of Biomimetic Superhydrophobic Surfaces through Replica Molding

    Science.gov (United States)

    Verbanic, Samuel; Brady, Owen; Sanda, Ahmed; Gustafson, Carolina; Donhauser, Zachary J.

    2014-01-01

    Biomimetic replicas of superhydrophobic lotus and taro leaf surfaces can be made using polydimethylsiloxane. These replicas faithfully reproduce the microstructures of the leaves' surface and can be analyzed using contact angle goniometry, self-cleaning experiments, and optical microscopy. These simple and adaptable experiments were used to…

  12. Fabrication of free-standing replicas of fragile, laminar, chitinous biotemplates.

    Science.gov (United States)

    Lakhtakia, Akhlesh; Martín-Palma, Raúl J; Motyka, Michael A; Pantano, Carlo G

    2009-09-01

    The conformal-evaporated-film-by-rotation technique, followed by the dissolution of chitin in an aqueous solution of orthophosphoric acid, can be used to fabricate free-standing replicas of fragile, laminar, chitinous biotemplates. This novel approach was demonstrated using butterfly wings as biotemplates and GeSeSb chalcogenide glass for replicas.

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

    Science.gov (United States)

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

    2016-09-01

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

  14. Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics.

    Science.gov (United States)

    Camilloni, Carlo; Vendruscolo, Michele

    2014-06-25

    The characterization of denatured states of proteins is challenging because the lack of permanent structure in these states makes it difficult to apply to them standard methods of structural biology. In this work we use all-atom replica-averaged metadynamics (RAM) simulations with NMR chemical shift restraints to determine an ensemble of structures representing an acid-denatured state of the 86-residue protein ACBP. This approach has enabled us to reach convergence in the free energy landscape calculations, obtaining an ensemble of structures in relatively accurate agreement with independent experimental data used for validation. By observing at atomistic resolution the transient formation of native and non-native structures in this acid-denatured state of ACBP, we rationalize the effects of single-point mutations on the folding rate, stability, and transition-state structures of this protein, thus characterizing the role of the unfolded state in determining the folding process.

  15. The replica symmetric solution for orthogonally constrained Heisenberg model on Bethe lattice

    Science.gov (United States)

    Concetti, Francesco

    2017-02-01

    In this paper, we study the thermodynamic properties of a system of D-components classical Heisenberg spins lying on the vertices of a random regular graph, with an unconventional first neighbor non-random interaction J{{≤ft({{\\mathbf{S}}i}\\centerdot {{\\mathbf{S}}k}\\right)}2} . We can consider this model as a continuum version of anti-ferromagnetic D-states Potts model. We compute the paramagnetic free energy, using a new approach, presented in this paper for the first time, based on the replica method. Through the linear stability analysis, we obtain an instability line on the temperature-connectivity plane that provides a bound to the appearance of a phase transition. We also argue about the character of the instability observed.

  16. How Is cis-trans Isomerization Controlled in Dronpa Mutants? A Replica Exchange Molecular Dynamics Study.

    Science.gov (United States)

    Moors, Samuel L C; Michielssens, Servaas; Flors, Cristina; Dedecker, Peter; Hofkens, Johan; Ceulemans, Arnout

    2008-06-01

    The reversibly photoactivatable green fluorescent protein analog Dronpa holds great promise as a marker for various new cellular imaging applications. Using a replica exchange method which combines both Hamiltonian and temperature exchanges, the ground-state dynamics of Dronpa and two mutants with increased switching kinetics, Val157Gly and Met159Thr, were compared. The dominant chromophore state was found to be the cis isomer in all three proteins. The simulation data suggest that both mutations strongly increase the chromophore flexibility and cis-trans isomerization rate. We identify three key amino acids, Val157, Met159, and Phe173, which are able to impede the bottom hula-twist transition path, depending on their position and rotameric state. We believe our insights will help to understand the switching process and provide useful information for the design of new variants with improved fluorescence properties.

  17. LCoMotion - Learning, Cognition and Motion; a multicomponent cluster randomized school-based intervention aimed at increasing learning and cognition - rationale, design and methods

    DEFF Research Database (Denmark)

    Bugge, Anna; Tarp, Jakob; Ostergaard, Lars

    2014-01-01

    by a modified Eriksen flanker task and academic skills by a custom made mathematics test. PA was objectively measured by accelerometers (ActiGraph, GT3X and GT3X+) and aerobic fitness assessed by an intermittent shuttle-run test (the Andersen intermittent running test). Furthermore, compliance...... with the intervention was assessed by short message service (SMS)-tracking and questionnaires were delivered to students, parents and teachers. DISCUSSION: LCoMotion has ability to provide new insights on the effectiveness of a multicomponent intervention on cognitive function and academic skills in 6th and 7th grade......BACKGROUND: The aim of the study; LCoMotion - Learning, Cognition and Motion was to develop, document, and evaluate a multi-component physical activity (PA) intervention in public schools in Denmark. The primary outcome was cognitive function. Secondary outcomes were academic skills, body...

  18. Nontrivial Critical Fixed Point for Replica-Symmetry-Breaking Transitions

    Science.gov (United States)

    Charbonneau, Patrick; Yaida, Sho

    2017-05-01

    The transformation of the free-energy landscape from smooth to hierarchical is one of the richest features of mean-field disordered systems. A well-studied example is the de Almeida-Thouless transition for spin glasses in a magnetic field, and a similar phenomenon—the Gardner transition—has recently been predicted for structural glasses. The existence of these replica-symmetry-breaking phase transitions has, however, long been questioned below their upper critical dimension, du=6 . Here, we obtain evidence for the existence of these transitions in d

  19. Searching near-replicas of images via clustering

    Science.gov (United States)

    Chang, Edward Y.; Li, Chen; Wang, James Z.; Mork, Peter; Wiederhold, Gio

    1999-08-01

    Internet piracy has been one of the major concerns for Web publishing. In this study we present a system, RIME, that we have prototyped for detecting unauthorized image copying on the WWW. To speed up the copy detection, RIME uses a new clustering/hashing approach that first clusters similar images on adjacent disk cylinders and then builds indexes to access the clusters made in this way. Searching for the replicas of an image often takes just one IO to loop up the location of the cluster containing similar objects and one sequential file IO to read in this cluster. Our experimental results show that RIME can detect images copies both more efficiently and effectively than the traditional content- based image retrieval systems that use tree-like structures to index images. In addition, RIME copes well with image format conversion, resampling, requantization and geometric transformation.

  20. Seeing is believing? A mixed-methods study exploring the quality and perceived trustworthiness of online information about chronic conditions aimed at children and young people.

    Science.gov (United States)

    McPherson, Amy C; Gofine, Miriam L; Stinson, Jennifer

    2014-01-01

    The numbers of children and young people with chronic conditions are increasing. While their information needs may vary, providing health care information can have considerable benefits, including better emotional health, less distress during treatments, and greater satisfaction with medical care. The Internet is increasingly being used to communicate health-related information to children about a range of chronic conditions. However, the quality of such websites is underexplored. Thus, the objectives of this study were to evaluate the reliability and quality of online information for children about chronic conditions using a standardized evaluation tool, and to explore children's and young people's perceptions of quality and trustworthiness regarding online health information. The study consisted of two phases. In Phase 1, websites about common pediatric chronic conditions aimed at children and containing treatment or management options were identified and the quality assessment tool DISCERN was completed. Test-retest and interrater reliability were calculated. In Phase 2, two focus groups with laptop computers were conducted with children and young people with a chronic condition to explore their perceptions of trustworthiness of online health information. In Phase 1, 165 websites were identified and 100 met the criteria and were assessed. The mean DISCERN score of all sites was 48.16 out of 75 (SD = 7.97, range 28-71, min 15 to max 75). Quality scores varied widely across the sample. The internal consistency and interrater reliability scores were both lower than previously reported in studies using the DISCERN to assess information for adults. In Phase 2, two focus groups with a total of six participants aged 11-23 years revealed a relative lack of concern about the quality and trustworthiness of online health information. Older participants reported judging the source and authorship of websites, but other participants did not question the source of the

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

    Science.gov (United States)

    Li, Weixin; Yuan, Zhensheng; Chen, Zhenmao

    2014-12-01

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

  2. OPTIMIZATION OF MOTOR VEHICLE INDUSTRIES WASTEWATER TREATMENT METHODS WITH THE AIM OF HEAVY METALS REMOVAL AND WATER REUSE IN PILOT SCALE

    Directory of Open Access Journals (Sweden)

    S. A. Mirbagheri, M. Salehi M

    2006-10-01

    Full Text Available The waste of motor vehicle industries is mainly the result of washing, coloring and various stages of chassis manufacturing, which include oil, grease, dyestuff, chromium, phosphate and other pollutants. In the present research, extended aeration activated sludge biological treatment plant is being considered and evaluated, for the removal of heavy metals and pollution load from industrial wastes and sanitary wastewaters, and on the pilot scale for optimization of waste treatment method for motor vehicle industries. To accomplish the pilot experiments, the natural waste of Bahman motor vehicle factory is used. Effective factors on efficient removal of heavy metals and pollution load such as concentration of biological mass (MLVSS, COD, BOD, pH in the extended aeration activated sludge biological treatment system, in different ratios of the mixing of industrial waste to sanitary wastewater have been experimented and evaluated. The performance of the above system, in the best of conditions, removes about 90% of pollution load and 65% of heavy metals existing in the industrial wastes. After analyzing the experiments, it is concluded that the removal of heavy metals through biological methods is possible and moreover it is feasible to biologically treat the mixing of motor vehicle industries effluent and sanitary wastewater up to the ratio of one to one, if guided exactly and scientifically.

  3. Internal structure analysis of particle-double network gels used in a gel organ replica

    Science.gov (United States)

    Abe, Mei; Arai, Masanori; Saito, Azusa; Sakai, Kazuyuki; Kawakami, Masaru; Furukawa, Hidemitsu

    2016-04-01

    In recent years, the fabrication of patient organ replicas using 3D printers has been attracting a great deal of attention in medical fields. However, the cost of these organ replicas is very high as it is necessary to employ very expensive 3D printers and printing materials. Here we present a new gel organ replica, of human kidney, fabricated with a conventional molding technique, using a particle-double network hydrogel (P-DN gel). The replica is transparent and has the feel of a real kidney. It is expected that gel organ replicas produced this way will be a useful tool for the education of trainee surgeons and clinical ultrasonography technologists. In addition to developing a gel organ replica, the internal structure of the P-DN gel used is also discussed. Because the P-DN gel has a complex structure comprised of two different types of network, it has not been possible to investigate them internally in detail. Gels have an inhomogeneous network structure. If it is able to get a more uniform structure, it is considered that this would lead to higher strength in the gel. In the present study we investigate the structure of P-DN gel, using the gel organ replica. We investigated the internal structure of P-DN gel using Scanning Microscopic Light Scattering (SMILS), a non-contacting and non-destructive.

  4. Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

    Science.gov (United States)

    Yang, Mingjun; Huang, Jing; MacKerell, Alexander D

    2015-06-09

    Replica exchange (REX) is a powerful computational tool for overcoming the quasi-ergodic sampling problem of complex molecular systems. Recently, several multidimensional extensions of this method have been developed to realize exchanges in both temperature and biasing potential space or the use of multiple biasing potentials to improve sampling efficiency. However, increased computational cost due to the multidimensionality of exchanges becomes challenging for use on complex systems under explicit solvent conditions. In this study, we develop a one-dimensional (1D) REX algorithm to concurrently combine the advantages of overall enhanced sampling from Hamiltonian solute scaling and the specific enhancement of collective variables using Hamiltonian biasing potentials. In the present Hamiltonian replica exchange method, termed HREST-BP, Hamiltonian solute scaling is applied to the solute subsystem, and its interactions with the environment to enhance overall conformational transitions and biasing potentials are added along selected collective variables associated with specific conformational transitions, thereby balancing the sampling of different hierarchical degrees of freedom. The two enhanced sampling approaches are implemented concurrently allowing for the use of a small number of replicas (e.g., 6 to 8) in 1D, thus greatly reducing the computational cost in complex system simulations. The present method is applied to conformational sampling of two nitrogen-linked glycans (N-glycans) found on the HIV gp120 envelope protein. Considering the general importance of the conformational sampling problem, HREST-BP represents an efficient procedure for the study of complex saccharides, and, more generally, the method is anticipated to be of general utility for the conformational sampling in a wide range of macromolecular systems.

  5. Aims, methods and uses of energy acounting

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, F.

    1978-07-01

    Input output table analysis, statistical analysis and process analysis are described and are illustrated by some recent examples of their application. The paper includes figures for the energy efficiency of the coal, oil, coke, gas and electricity industries in 1963 and 1968.

  6. Application of Replica Technique and SEM in Accuracy Measurement of Ceramic Crowns

    Science.gov (United States)

    Trifkovic, B.; Budak, I.; Todorovic, A.; Hodolic, J.; Puskar, T.; Jevremovic, D.; Vukelic, D.

    2012-01-01

    The paper presents a comparative study of the measuring values of the marginal gap related to the ceramic crowns made by dental CAD/CAM system using the replica technique and SEM. The study was conducted using three experimental groups, which consisted of ceramic crowns manufactured by the Cerec CAD/CAM system. The scanning procedure was carried out using three specialized dental 3D digitization systems from the Cerec family - two types of extraoral optical scanning systems and an intraoral optical scanner. Measurements of the marginal gap were carried out using the replica technique and SEM. The comparison of aggregate values of the marginal gap using the replica technique showed a statistically significant difference between the systems. The measured values of marginal gaps of ceramic crowns using the replica technique were significantly lower compared to those measured by SEM. The results indicate that the choice of technique for measuring the accuracy of ceramic crowns influences the final results of investigation.

  7. Automated magnification calibration in transmission electron microscopy using Fourier analysis of replica images.

    NARCIS (Netherlands)

    Laak, J.A.W.M. van der; Dijkman, H.B.P.M.; Pahlplatz, M.M.M.

    2006-01-01

    The magnification factor in transmission electron microscopy is not very precise, hampering for instance quantitative analysis of specimens. Calibration of the magnification is usually performed interactively using replica specimens, containing line or grating patterns with known spacing. In the pre

  8. Critiques, replicas and proposals for the New Urbanism Vision

    Directory of Open Access Journals (Sweden)

    Alaide Retana

    2014-03-01

    Full Text Available The new urbanism (NU is a vision of planning and urban design emerged in 1993, which finds its basis in the design of traditional communities. This trend has had various criticisms and replicas, which were reviewed in relation to urban sprawl, transportation, re-densifying, mix of uses of land, design, gentrification, pedestrianization and safety, which were analyzed in the neighborhood of Santa Barbara in Toluca, Mexico. This area was chosen for being traditional and forming part of the historical center of the city, which even though it was not designed under the guidelines of the NU, it has the quality of traditional, from which the NU would theoretically has taken its essence. The objective of this analysis is to establish whether the NU has the essence of a traditional Mexican neighborhood, as well as to check if the criticisms of the NU are informed when applied to a space belonging to a Mexican historic center that has been abandoned by problems of insecurity and degradation. The general conclusion is that the traditional neighborhoods have provided design elements to the NU, which will refute some of the criticisms, however, proposals for NU in neighborhoods of his-toric centers have to be based on the community, the architecture and existing urbanism, since these elements are those that give the identity.

  9. Enhancing dry adhesives and replica molding with ethyl cyano-acrylate

    Science.gov (United States)

    Bovero, E.; Menon, C.

    2014-08-01

    The use of cyano-acrylate to improve the performance of dry adhesives and their method of fabrication is investigated. Specifically, the contributions of this work are: (1) a new adhesion method to adhere to a large variety of surfaces, (2) a strategy to increase the compliance of dry adhesives, and (3) an improved fabrication process for micro-structured dry adhesives based on replica molding. For the first contribution, the adhesion method consists of anchoring a micro-structured dry adhesive to a surface through a layer of hardened ethyl cyano-acrylate (ECA). This method increases the adhesion of the orders of magnitude at the expense of leaving residue after detachment. However, this method preserves reusability. For the second contribution, a double-sided dry adhesive is obtained by introducing a substrate with a millimeter-sized pillar structure, which enabled further increasing adhesion. For the third contribution, an ECA layer is used as a mold for the fabrication of new adhesives. These new types of molds proved able to produce dry adhesives with high reproducibility and low degradation.

  10. Design of replica bit line control circuit to optimize power for SRAM

    Science.gov (United States)

    Pengjun, Wang; Keji, Zhou; Huihong, Zhang; Daohui, Gong

    2016-12-01

    A design of a replica bit line control circuit to optimize power for SRAM is proposed. The proposed design overcomes the limitations of the traditional replica bit line control circuit, which cannot shut off the word line in time. In the novel design, the delay of word line enable and disable paths are balanced. Thus, the word line can be opened and shut off in time. Moreover, the chip select signal is decomposed, which prevents feedback oscillations caused by the replica bit line and the replica word line. As a result, the switch power caused by unnecessary discharging of the bit line is reduced. A 2-kb SRAM is fully custom designed in an SMIC 65-nm CMOS process. The traditional replica bit line control circuit and the new replica bit line control circuit are used in the designed SRAM, and their performances are compared with each other. The experimental results show that at a supply voltage of 1.2 V, the switch power consumption of the memory array can be reduced by 53.7%. Project supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ14F040001), the National Natural Science Foundation of China (Nos. 61274132, 61234002, 61474068), and the K. C. Wong Magna Fund in Ningbo University.

  11. Human skulls with turquoise inlays: pre hispanic origin or replicas?; Craneos humanos con teselas de turquesa: origen prehispanico o replicas?

    Energy Technology Data Exchange (ETDEWEB)

    Silva V, Y. [FIME-UANL, Pedro A. del Alba s/n, Ciudad Universitaria, San Nicolas de los Garza, Nuevo Leon (Mexico); Castillo M, M.T.; Bautista M, J.P. [DRPMZA/INAH. Direccion de Registro Publico de Monumentos y Zonas Arqueologicas, Victoria 110, Copilco El Bajo, 04340 Mexico D.F. (Mexico); Arenas A, J. [IFUNAM, Circuito de la Investigacion Cientifica s/n, Ciudad Universitaria, 04510 Mexico D.F. (Mexico)]. e-mail: ysilva@fisica.unam.mx

    2006-07-01

    The lack of archaeological context determining if the manufacture of two human skulls adorned with turquoise inlays have pre-Columbian origin or not (replicas), led to perform other studies. Under these conditions, besides orthodox methodology commonly used to assign chronology and cultural aspects as form, style, decoration, iconography, etc., it was necessary to obtain more results based on the use of characterization techniques. The techniques employed were Scanning Electron Microscopy (SEM), X-Ray Energy Dispersive Spectroscopy (EDS), Transmission Electron Microscopy (TEM) and Fourier Transform Infrared Spectroscopy (FTIR), in order to determine the manufacture techniques and chemical composition of the materials used for the cementant. SEM analysis showed the presence of zones composed by Ca, O, C and Al. In some cases Mg, Cl, Fe and Pb were identified. High concentration of Cu was present in all samples, due to residues of turquoise inlays (CuAI{sub 6}(PO{sub 4}){sub 4}(OH){sub 8}(H{sub 2}O){sub 4}) with which the skulls were decorated. In the cementant was identified the Ca as base element of the cementant, as well as particles < 100 nm with irregular morphology and other amorphous zones. FTIR spectrums indicated the presence of organic substances that could be used as agglutinating in the cementant. The current work shows a progress identifying involved techniques in the manufacturing of two human skulls with turquoise inlays. (Author)

  12. Relationship between Rheological Behaviour and Final Structure of Al2O3 and YSZ Foams Produced by Replica

    Directory of Open Access Journals (Sweden)

    S. Y. Gómez

    2012-01-01

    Full Text Available Using rheological parameters of ceramic suspensions, it is possible to taylor the structure of the ceramic foams produced by replica. This method consists in the impregnation of a polymeric flexible template (polyurethane foam with a ceramic suspension (slurry containing the appropriate additives, followed by burning out organic compounds and additives and sintering the ceramic structure. In this work, ceramic foams were produced by the replica method from Al2O3 and 3% Y2O3-ZrO2. Rheological parameters of the ceramic suspensions were investigated to improve the mechanical performance of final structures. Different types and quantities of raw materials were combined in order to select the formulations for ceramic foams. The parameters that have a significant influence on the process are the binder type and the amount of solids. Significant changes on the hysteresis area of the suspensions resulted in a lower density of macrodefects in the material. Likewise, when the shear rate viscosity is enhanced, the thickness of the struts increased proportionally. Lastly, when the hysteresis area magnitude and the ceramic thickness increased, the material with higher uniformity was internally densified, and the stress concentration of the internal defects was smoothed

  13. Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations.

    Science.gov (United States)

    de Ruiter, Anita; Oostenbrink, Chris

    2013-02-12

    The calculation of protein-ligand binding free energies is an important goal in the field of computational chemistry. Applying path-sampling methods for this purpose involves calculating the associated potential of mean force (PMF) and gives insight into the binding free energy along the binding process. Without a priori knowledge about the binding path, sampling reversible binding can be difficult to achieve. To alleviate this problem, we introduce the distancefield (DF) as a reaction coordinate for such calculations. DF is a grid-based method in which the shortest distance between the binding site and a ligand is determined avoiding routes that pass through the protein. Combining this reaction coordinate with Hamiltonian replica exchange molecular dynamics (HREMD) allows for the reversible binding of the ligand to the protein. A comparison is made between umbrella sampling using regular distance restraints and HREMD with DF restraints to study aspirin binding to the protein phospholipase A2. Although the free energies of binding are similar for both methods, the increased sampling with HREMD has a significant influence on the shape of the PMF. A remarkable agreement between the calculated binding free energies from the PMF and the experimental estimate is obtained.

  14. Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent.

    Science.gov (United States)

    Chebaro, Yassmine; Dong, Xiao; Laghaei, Rozita; Derreumaux, Philippe; Mousseau, Normand

    2009-01-08

    Current approaches aimed at determining the free energy surface of all-atom medium-size proteins in explicit solvent are slow and are not sufficient to converge to equilibrium properties. To ensure a proper sampling of the configurational space, it is preferable to use reduced representations such as implicit solvent and/or coarse-grained protein models, which are much lighter computationally. Each model must be verified, however, to ensure that it can recover experimental structures and thermodynamics. Here we test the coarse-grained implicit solvent OPEP model with replica exchange molecular dynamics (REMD) on six peptides ranging in length from 10 to 28 residues: two alanine-based peptides, the second beta-hairpin from protein G, the Trp-cage and zinc-finger motif, and a dimer of a coiled coil peptide. We show that REMD-OPEP recovers the proper thermodynamics of the systems studied, with accurate structural description of the beta-hairpin and Trp-cage peptides (within 1-2 A from experiments). The light computational burden of REMD-OPEP, which enables us to generate many hundred nanoseconds at each temperature and fully assess convergence to equilibrium ensemble, opens the door to the determination of the free energy surface of larger proteins and assemblies.

  15. Solid volume fraction estimation of bone:marrow replica models using ultrasound transit time spectroscopy.

    Science.gov (United States)

    Wille, Marie-Luise; Langton, Christian M

    2016-02-01

    The acceptance of broadband ultrasound attenuation (BUA) for the assessment of osteoporosis suffers from a limited understanding of both ultrasound wave propagation through cancellous bone and its exact dependence upon the material and structural properties. It has recently been proposed that ultrasound wave propagation in cancellous bone may be described by a concept of parallel sonic rays; the transit time of each ray defined by the proportion of bone and marrow propagated. A Transit Time Spectrum (TTS) describes the proportion of sonic rays having a particular transit time, effectively describing the lateral inhomogeneity of transit times over the surface aperture of the receive ultrasound transducer. The aim of this study was to test the hypothesis that the solid volume fraction (SVF) of simplified bone:marrow replica models may be reliably estimated from the corresponding ultrasound transit time spectrum. Transit time spectra were derived via digital deconvolution of the experimentally measured input and output ultrasonic signals, and compared to predicted TTS based on the parallel sonic ray concept, demonstrating agreement in both position and amplitude of spectral peaks. Solid volume fraction was calculated from the TTS; agreement between true (geometric calculation) with predicted (computer simulation) and experimentally-derived values were R(2)=99.9% and R(2)=97.3% respectively. It is therefore envisaged that ultrasound transit time spectroscopy (UTTS) offers the potential to reliably estimate bone mineral density and hence the established T-score parameter for clinical osteoporosis assessment.

  16. Optimization of the replica molding process of PDMS using pennate diatoms

    Science.gov (United States)

    Hlúbiková, D.; Luís, A. T.; Vaché, V.; Ector, L.; Hoffmann, L.; Choquet, P.

    2012-11-01

    Biomimetic fabrication of nanostructured materials has recently attracted the attention of researchers as a cost-effective and easily applicable method of nanotexturing. Different techniques and materials have been used in order to replicate natural patterns, among which polydimethylsiloxane (PDMS Sylgard 184®) was recently used to replicate the micro- and nanoscale patterns from centric diatoms. In this paper, we test the reproducibility and precision of this approach using various morphologically different diatom species trying to optimize the molding parameters. The optimization process is focused on immobilization of diatoms on the glass support, which serves as a master for templating, as well as on the parameters of PDMS fabrication such as the ratio of the curing agent and elastomer, use of vacuum, curing time and temperature. The results indicate that higher ratios of curing agent and elastomer, longer curing time and lower temperature are the most favorable conditions to obtain negative diatom replicas of good quality with features of 50 nm. Although this method can give very precise results producing high-resolution molds with all micro- and nanostructures replicated, we revealed some limitations regarding the size and morphology of the species used. These results indicate that large round and flat diatom species seem to be more suitable for the cast molding.

  17. Diamond Opal-Replica Photonic Crystals and Graphitic Metallic Photonic Band Gap Structures: Fabrication and Properties

    Science.gov (United States)

    Zakhidov, A. A.; Baughman, R. H.; Iqbal, Z.; Khayrullin, I. I.; Ralchenko, V. G.

    1998-03-01

    We demonstrate a new method for the formation of photonic bandgap crystals that operate at optical wavelengths. This method involves the templating of a self-assempled SiO2 lattice with diamond, graphite, or amorphous forms of carbon, followed by the removal of the original SiO2 lattice matrix by chemical means. Such carbon opal replicas are the "air type" of photonic crystal (where air replaces silica spheres) that are most favourable for photonic bandgap formation. Surprisingly, the structure of the original opal lattice having a typical cubic lattice dimension of 250 nm) is reliably replicated down to the nanometer scale using either a diamond, graphite, or amorphous carbon templated material. The optical properties of these photonic bandgap crystals are reported and compared with both theory and experimental results on other types of opal-derived lattices that we have investigated. The graphitic reverse opal is the first example of a network type metallic photonic crystal for the optical domain, for which a large photonic bandgap have been predicted.

  18. Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways.

    Science.gov (United States)

    Fujisaki, Hiroshi; Shiga, Motoyuki; Kidera, Akinori

    2010-04-07

    For sampling multiple pathways in a rugged energy landscape, we propose a novel action-based path sampling method using the Onsager-Machlup action functional. Inspired by the Fourier-path integral simulation of a quantum mechanical system, a path in Cartesian space is transformed into that in Fourier space, and an overdamped Langevin equation is derived for the Fourier components to achieve a canonical ensemble of the path at a finite temperature. To avoid "path trapping" around an initially guessed path, the path sampling method is further combined with a powerful sampling technique, the replica exchange method. The principle and algorithm of our method is numerically demonstrated for a model two-dimensional system with a bifurcated potential landscape. The results are compared with those of conventional transition path sampling and the equilibrium theory, and the error due to path discretization is also discussed.

  19. The use of rapid prototyped implants to simulate knee joint abnormalities for in vitro testing: a validation study with replica implants of the native trochlea.

    Science.gov (United States)

    Van Haver, Annemieke; De Roo, Karel; De Beule, Matthieu; Van Cauter, Sofie; Labey, Luc; De Baets, Patrick; Claessens, Tom; Verdonk, Peter

    2014-08-01

    To investigate the biomechanical effect of skeletal knee joint abnormalities, the authors propose to implant pathologically shaped rapid prototyped implants in cadaver knee specimens. This new method was validated by replacing the native trochlea by a replica implant on four cadaver knees with the aid of cadaver-specific guiding instruments. The accuracy of the guiding instruments was assessed by measuring the rotational errors of the cutting planes (on average 3.01° in extension and 1.18° in external/internal rotation). During a squat and open chain simulation, the patella showed small differences in its articulation with the native trochlea and the replica trochlea, which could partially be explained by the rotational errors of the implants. This study concludes that this method is valid to investigate the effect of knee joint abnormalities with a replica implant as a control condition to account for the influence of material properties and rotational errors of the implant. © IMechE 2014.

  20. Fatigue Damage Monitoring in 304L Steel Specimens by an Acoustic Emission Method

    Directory of Open Access Journals (Sweden)

    Ould-Amer Ammar

    2014-06-01

    Full Text Available The aim of this work was to clarify fatigue crack initiation and propagation mechanisms in 304L austenitic stainless steel under different total-strain-amplitudes. A complete process from crack initiation and propagation was recorded by using the acoustic emission method in one hand, and replica method in another hand. The effect of strain amplitude on fatigue crack growth was investigated and a new representation of various fatigue curves associated to various levels of fatigue damage is proposed.

  1. Assessment of hydro/oleophobicity for shark skin replica with riblets.

    Science.gov (United States)

    Kim, Tae Wan

    2014-10-01

    The shark skin has a unique skin structure which enables the shark to swim faster and more efficiently due to an intriguing three-dimensional rib pattern. Shark skin has also known as having functional performances such as self cleaning and anti-fouling as well as excellent drag reduction due to a hierarchical structure built up by micro grooves and nano-long chain mucus drag reduction interface around the shark body. In this study, the wetting properties for the biomimetic surfaces that replicate shark skin are assessed. First of all, the shark skin replicas are obtained using the micro molding technique directly from a shark skin template. The quantitative replication precision of the shark skin replicas is evaluated comparing with the geometry of shark skin template using 3D and 2D surface profiles are measured. Then contact angles in the conditions of solid-air-water, solid-air-oil and solid-water-oil interfaces are evaluated for shark skin replicas. The effect of Teflon coating on the wetting properties of shark skin replicas is also observed. The results show the shark skin replica by the micro molding technique gives better effect on the wetting performance, and the micro riblets on shark skin improve the wettability feature.

  2. Efficient Determination of Relative Entropy Using Combined Temperature and Hamiltonian Replica-Exchange Molecular Dynamics.

    Science.gov (United States)

    Jo, Sunhwan; Chipot, Christophe; Roux, Benoît

    2015-05-12

    The performance and accuracy of different simulation schemes for estimating the entropy inferred from free energy calculations are tested. The results obtained from replica-exchange molecular dynamics (REMD) simulations based on a simplified toy model are compared to exact numerically derived ones to assess accuracy and convergence. It is observed that the error in entropy estimation decreases by at least an order of magnitude and the quantities of interest converge much faster when the simulations are coupled via a temperature REMD algorithm and the trajectories from different temperatures are combined. Simulations with the infinite-swapping method and its variants show some improvement over the traditional nearest-neighbor REMD algorithms, but they are more computationally expensive. To test the methodologies further, the free energy profile for the reversible association of two methane molecules in explicit water was calculated and decomposed into its entropic and enthalpic contributions. Finally, a strategy based on umbrella sampling computations carried out via simultaneous temperature and Hamiltonian REMD simulations is shown to yield the most accurate entropy estimation. The entropy profile between the two methane molecules displays the characteristic signature of a hydrophobic interaction.

  3. Adaptive Biasing Combined with Hamiltonian Replica Exchange to Improve Umbrella Sampling Free Energy Simulations.

    Science.gov (United States)

    Zeller, Fabian; Zacharias, Martin

    2014-02-11

    The accurate calculation of potentials of mean force for ligand-receptor binding is one of the most important applications of molecular simulation techniques. Typically, the separation distance between ligand and receptor is chosen as a reaction coordinate along which a PMF can be calculated with the aid of umbrella sampling (US) techniques. In addition, restraints can be applied on the relative position and orientation of the partner molecules to reduce accessible phase space. An approach combining such phase space reduction with flattening of the free energy landscape and configurational exchanges has been developed, which significantly improves the convergence of PMF calculations in comparison with standard umbrella sampling. The free energy surface along the reaction coordinate is smoothened by iteratively adapting biasing potentials corresponding to previously calculated PMFs. Configurations are allowed to exchange between the umbrella simulation windows via the Hamiltonian replica exchange method. The application to a DNA molecule in complex with a minor groove binding ligand indicates significantly improved convergence and complete reversibility of the sampling along the pathway. The calculated binding free energy is in excellent agreement with experimental results. In contrast, the application of standard US resulted in large differences between PMFs calculated for association and dissociation pathways. The approach could be a useful alternative to standard US for computational studies on biomolecular recognition processes.

  4. Replica-exchange Wang-Landau simulations of the H0P model of protein folding

    Science.gov (United States)

    Shi, Guangjie; Landau, David P.; Wüst, Thomas; Li, Ying Wai Li

    2015-03-01

    The hydrophobic-polar (HP) model has served as a coarse-grained lattice protein folding model attracting scientists from various disciplines. However, simplification into H and P monomers may yield high ground state degeneracies which stands in contrast to the generally unique native states of natural proteins. We propose a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, rendering the model more realistic without increasing the difficulties of sampling significantly. With the newly developed parallel Wang-Landau (replica exchange Wang-Landau) scheme and an innovative method of estimating the ground state degeneracies, we investigated some widely studied HP proteins and their H0P counterparts. Dramatic differences in ground state and thermodynamic properties have been observed, e.g. the estimation of ground state degeneracy for the 46mer is 460,000 for the HP version and only 20 for the H0P mapping. Similarly, the specific heat and structural properties: radius of gyration and etc. show more pronounced signals associated with folding. Supported by NSF.

  5. Protein-Ligand Binding Potential of Mean Force Calculations with Hamiltonian Replica Exchange on Alchemical Interaction Grids

    CERN Document Server

    Minh, David D L

    2015-01-01

    A binding potential of mean force (BPMF) is a free energy of noncovalent association in which one binding partner is flexible and the other is rigid. I have developed a method to calculate BPMFs for protein-ligand systems. The method is based on replica exchange sampling from multiple thermodynamic states at different temperatures and protein-ligand interaction strengths. Protein-ligand interactions are represented by interpolating precomputed electrostatic and van der Waals grids. Using a simple estimator for thermodynamic length, thermodynamic states are initialized at approximately equal intervals. The method is demonstrated on the Astex diverse set, a database of 85 protein-ligand complexes relevant to pharmacy or agriculture. Fifteen independent simulations of each complex were started using poses from crystallography, docking, or the lowest-energy pose observed in the other simulations. Benchmark simulations completed within three days on a single processor. Overall, protocols initialized using the ther...

  6. Demonstration of characteristic skin surface contours of extramammary Paget's disease and parapsoriasis en plaque by image analysis of negative impression replicas.

    Science.gov (United States)

    Kikuchi, Katsuko; Aiba, Setsuya; O'Goshi, Ken-ichiro; Yanai, Motohiro; Takahashi, Motoji; Kasai, Hidefumi; Tagami, Hachiro

    2002-10-01

    The surface contours of lesional skin of certain skin diseases, such as parapsoriasis en plaque (PEP) and extramammary Paget's disease (EMPD), in which there is a massive infiltration by non-epidermal cells, looks somewhat different from that of the adjacent normal skin, needless to state that they are apparently different from that of ordinary chronic inflammatory dermatoses where we found acanthotic epidermis accompanied by hyperkeratosis. We attempted to objectively characterize these unique skin surface changes qualitatively and quantitatively using non-invasive methods. Negative impression replicas were taken from the lesional skin of patients with EMPD or PEP as well as from the adjacent uninvolved skin. The findings were confirmed histologically. The replicas were examined by using computerized image analysis. Several parameters were analyzed that correlate with the changes in the anisotropy of the skin furrows (VC1), average skin roughness (KSD), average length of skin furrows (LEN), and number of skin furrows (NUM). There were significant decreases in KSD and NUM in EMPD, indicating a smoother skin surface in the lesional skin than in the adjacent normal skin. In contrast, the PEP lesion had an increase in VC1 and LEN and a decrease in NUM, which suggests larger skin ridges in the lesional skin than in the uninvolved skin. Thus the unique skin surface of the cutaneous disorders accompanied by epidermal invasion by non-epidermal cells, such as EMPD and PEP, was characterized both qualitatively and quantitatively using computerized image analysis of negative impression replicas.

  7. Nickel replicas as calibration reference standards for industrial surface texture instruments

    DEFF Research Database (Denmark)

    Sammatini-Malberg, Maria-Pia

    The present report is a documentation of measurements carried out at DTU on Nickel replicas. The research is performed in the frame of the project with contract SMT4-CT97-2176 with title: Calibration Standards for Surface Topography Measuring Systems down to Nanometric Scale.......The present report is a documentation of measurements carried out at DTU on Nickel replicas. The research is performed in the frame of the project with contract SMT4-CT97-2176 with title: Calibration Standards for Surface Topography Measuring Systems down to Nanometric Scale....

  8. Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes.

    Science.gov (United States)

    Hudson, Phillip S; White, Justin K; Kearns, Fiona L; Hodoscek, Milan; Boresch, Stefan; Lee Woodcock, H

    2015-05-01

    Accurately modeling condensed phase processes is one of computation's most difficult challenges. Include the possibility that conformational dynamics may be coupled to chemical reactions, where multiscale (i.e., QM/MM) methods are needed, and this task becomes even more daunting. Free energy simulations (i.e., molecular dynamics), multiscale modeling, and reweighting schemes. Herein, we present two new approaches for mitigating the aforementioned challenges. The first is a new chain-of-replica method (off-path simulations, OPS) for computing potentials of mean force (PMFs) along an easily defined reaction coordinate. This development is coupled with a new distributed, highly-parallel replica framework (REPDstr) within the CHARMM package. Validation of these new schemes is carried out on two processes that undergo conformational changes. First is the simple torsional rotation of butane, while a much more challenging glycosidic rotation (in vacuo and solvated) is the second. Additionally, a new approach that greatly improves (i.e., possibly an order of magnitude) the efficiency of computing QM/MM PMFs is introduced and compared to standard schemes. Our efforts are grounded in the recently developed method for efficiently computing QM-based free energies (i.e., QM-Non-Boltzmann Bennett, QM-NBB). Again, we validate this new technique by computing the QM/MM PMF of butane's torsional rotation. The OPS-REPDstr method is a promising new approach that overcomes many limitations of standard pathway simulations in CHARMM. The combination of QM-NBB with pathway techniques is very promising as it offers significant advantages over current procedures. Efficiently computing potentials of mean force is a major, unresolved, area of interest. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Copyright © 2014. Published by Elsevier B.V.

  9. The diverse aims of science.

    Science.gov (United States)

    Potochnik, Angela

    2015-10-01

    There is increasing attention to the centrality of idealization in science. One common view is that models and other idealized representations are important to science, but that they fall short in one or more ways. On this view, there must be an intermediary step between idealized representation and the traditional aims of science, including truth, explanation, and prediction. Here I develop an alternative interpretation of the relationship between idealized representation and the aims of science. I suggest that continuing, widespread idealization calls into question the idea that science aims for truth. If instead science aims to produce understanding, this would enable idealizations to directly contribute to science's epistemic success. I also use the fact of widespread idealization to motivate the idea that science's wide variety aims, epistemic and non-epistemic, are best served by different kinds of scientific products. Finally, I show how these diverse aims—most rather distant from truth—result in the expanded influence of social values on science. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. AIM: Attracting Women into Sciences.

    Science.gov (United States)

    Hartman, Icial S.

    1995-01-01

    Addresses how to attract more college women into the sciences. Attracting Women into Sciences (AIM) is a comprehensive approach that begins with advising, advertising, and ambiguity. The advising process includes dispelling stereotypes and reviewing the options open to a female basic science major. Interaction, involvement and instruction, finding…

  11. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study.

    Science.gov (United States)

    Perera, Dilina; Vogel, Thomas; Landau, David P

    2016-10-01

    Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, the results were found to be sensitive to the particular choice of interatomic potential.

  12. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study

    Science.gov (United States)

    Perera, Dilina; Vogel, Thomas; Landau, David P.

    2016-10-01

    Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, the results were found to be sensitive to the particular choice of interatomic potential.

  13. Studying the Early Stages of Protein Aggregation Using Replica Exchange Molecular Dynamics Simulations.

    Science.gov (United States)

    Shea, Joan-Emma; Levine, Zachary A

    2016-01-01

    The simulation of protein aggregation poses several computational challenges due to the disparate time and lengths scales that are involved. This chapter focuses on the use of atomistically detailed simulations to probe the initial steps of aggregation, with an emphasis on the Tau peptide as a model system, run under a replica exchange molecular dynamics protocol.

  14. Nickel replicas as calibration reference standards for industrial surface texture instruments

    DEFF Research Database (Denmark)

    Sammatini-Malberg, Maria-Pia

    The present report is a documentation of measurements carried out at DTU on Nickel replicas. The research is performed in the frame of the project with contract SMT4-CT97-2176 with title: Calibration Standards for Surface Topography Measuring Systems down to Nanometric Scale....

  15. Investigation of the Airflow inside Realistic and Semi-Realistic Replicas of Human Airways

    Directory of Open Access Journals (Sweden)

    Lizal Frantisek

    2015-01-01

    Full Text Available Measurement of velocity in human lungs during breathing cycle is a challenging task for researchers, since the measuring location is accessible only with significant difficulties. A special measuring rig consisting of optically transparent replica of human lungs, breathing simulator, particle generator and Laser-Doppler anemometer was developed and used for investigation of the velocity in specific locations of lungs during simulated breathing cycle. Experiments were performed on two different replicas of human lungs in corresponding measuring points to facilitate the analysis of the influence of the geometry and its simplification on the flow. The analysis of velocity course and turbulence intensity revealed that special attention should be devoted to the modelling of vocal cords position during breathing, as the position of laryngeal jet created by vocal cords significantly influences velocity profiles in trachea. The shapes of velocity courses during expiration proved to be consistent for both replicas; however magnitudes of peak expiratory velocity differ between the corresponding measuring points in both the replicas.

  16. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

    Science.gov (United States)

    Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho; Li, Ying Wai; Eisenbach, Markus; Fiore, Carlos E.; Landau, David P.

    2015-09-01

    We considered a higher-dimensional extension for the replica-exchange Wang- Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

  17. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

    Energy Technology Data Exchange (ETDEWEB)

    Valentim, Alexandra [University of Georgia, Athens, GA; Rocha, Julio C. S. [Universidade Federal de Minas Gerais; Tsai, Shan-Ho [University of Georgia, Athens, GA; Li, Ying Wai [ORNL; Eisenbach, Markus [ORNL; Fiore, Carlos E [University of Sao Paulo, BRAZIL; Landau, David P [University of Georgia, Athens, GA

    2015-01-01

    We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

  18. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

    CERN Document Server

    Valentim, Alexandra; Tsai, Shan-Ho; Li, Ying Wai; Eisenbach, Markus; Fiore, Carlos E; Landau, David P

    2015-01-01

    We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this difficulty,...

  19. Fast Optimal Replica Placement with Exhaustive Search Using Dynamically Reconfigurable Processor

    Directory of Open Access Journals (Sweden)

    Hidetoshi Takeshita

    2011-01-01

    Full Text Available This paper proposes a new replica placement algorithm that expands the exhaustive search limit with reasonable calculation time. It combines a new type of parallel data-flow processor with an architecture tuned for fast calculation. The replica placement problem is to find a replica-server set satisfying service constraints in a content delivery network (CDN. It is derived from the set cover problem which is known to be NP-hard. It is impractical to use exhaustive search to obtain optimal replica placement in large-scale networks, because calculation time increases with the number of combinations. To reduce calculation time, heuristic algorithms have been proposed, but it is known that no heuristic algorithm is assured of finding the optimal solution. The proposed algorithm suits parallel processing and pipeline execution and is implemented on DAPDNA-2, a dynamically reconfigurable processor. Experiments show that the proposed algorithm expands the exhaustive search limit by the factor of 18.8 compared to the conventional algorithm search limit running on a Neumann-type processor.

  20. Relativistic Energy Analysis Of Five Dimensional q-Deformed Radial Rosen-Morse Potential Combined With q-Deformed Trigonometric Scarf Non-Central Potential Using Asymptotic Iteration Method (AIM)

    CERN Document Server

    Pramono, Subur; Cari, Cari

    2016-01-01

    In this work, we study the exact solution of Dirac equation in the hyper-spherical coordinate under influence of separable q-Deformed quantum potentials. The q-deformed hyperbolic Rosen-Morse potential is perturbed by q-deformed non-central trigonometric Scarf potentials, where whole of them can be solved by using Asymptotic Iteration Method (AIM). This work is limited to spin symmetry case. The relativistic energy equation and orbital quantum number equation lD-1 have been obtained using Asymptotic Iteration Method. The upper radial wave function equations and angular wave function equations are also obtained by using this method. The relativistic energy levels are numerically calculated using Mat Lab, the increase of radial quantum number n causes the increase of bound state relativistic energy level both in dimension D = 5 and D = 3. The bound state relativistic energy level decreases with increasing of both deformation parameter q and orbital quantum number nl.

  1. Dimerization process of amyloid-β(29-42) studied by the Hamiltonian replica-permutation molecular dynamics simulations.

    Science.gov (United States)

    Itoh, Satoru G; Okumura, Hisashi

    2014-10-02

    The amyloid-β peptides form amyloid fibrils which are associated with Alzheimer's disease. Amyloid-β(29-42) is its C-terminal fragment and a critical determinant of the amyloid formation rate. This fragment forms the amyloid fibril by itself. However, the fragment conformation in the fibril has yet to be determined. The oligomerization process including the dimerization process is also still unknown. The dimerization process corresponds to an early process of the amyloidogenesis. In order to investigate the dimerization process and conformations, we applied the Hamiltonian replica-permutation method, which is a better alternative to the Hamiltonian replica-exchange method, to two amyloid-β(29-42) molecules in explicit water solvent. At the first step of the dimerization process, two amyloid-β(29-42) molecules came close to each other and had intermolecular side chain contacts. When two molecules had the intermolecular side chain contacts, the amyloid-β(29-42) tended to have intramolecular secondary structures, especially β-hairpin structures. The two molecules had intermolecular β-bridge structures by coming much closer at the second step of the dimerization process. Formation of these intermolecular β-bridge structures was induced by the β-hairpin structures. The intermolecular β-sheet structures elongated at the final step. Structures of the amyloid-β(29-42) in the monomer and dimer states are also shown with the free-energy landscapes, which were obtained by performing efficient sampling in the conformational space in our simulations.

  2. China Aims to Promote Import

    Institute of Scientific and Technical Information of China (English)

    Wang Ting

    2010-01-01

    @@ With the theme of"An Opening Market and Global Trade",aim at promoting communications and exchanges among governments,industries and business to achieve mutual benefit and a win-win situation,nearly 300 representatives from the relevant departments of the Chinese government,foreign embassies in China,industrial associations and major enterprises,as well as well-known Chinese and foreign experts and scholars were invited to take part in the forum and share their iews on Chinese market and foreign trade policies.

  3. 基于小世界的物联网中副本定位算法%Replica Location Algorithm Approach Based on the Small World in the Internet of Things

    Institute of Scientific and Technical Information of China (English)

    高辉; 张冬悦; 赵俊涛; 吴吉红

    2012-01-01

    Internet of Things has a large amount of data,heterogeneous node,extensive distribution,etc.Replica can improve data access performance.According to the requirements of fast and efficient replica location for the Internet of things,a replica location method based on the class of small world-the class level and the domain level in the Internet of Things is presented.From the local clustering of data access in the Internet of Things,nodes are divided into the class level and domain level.Given the class-domain data access characteristics,two-way circular message diffusion mechanism to achieve replica of the local and global location is proposed to increase the replica location efficiency.%物联网具有数据量大,节点异构且分布广泛等特点。采用副本存储可以提高数据访问性能。针对物联网中对副本定位快速高效要求的问题,提出一种基于小世界的类-域层次的物联网中副本定位方法。从物联网中数据访问的局部聚类性考虑,将节点划分为类层次和域层次,分别采用根据类-域数据访问特点的双向环形消息扩散机制,实现副本的局部和全局定位,从而提高副本定位的效率。

  4. Comparison of two different synthesis methods of perovskites, SrCo0.5FeO3 type, aiming at evaluating their use as membranes for partial oxidation of methane

    Directory of Open Access Journals (Sweden)

    Noronha F.B.

    2004-01-01

    Full Text Available In this work two different synthesis methods of perovskites, SrCo0.5FeO3, were compared: combustion synthesis and oxides mixture aiming at evaluating their use as membranes for partial oxidation of methane. The combustion synthesis method explores an exothermic, generally very fast and self-sustaining chemical reaction between the desired metal salts and a suitable organic fuel, which is ignited at a temperature much lower than the actual phase formation temperature. The oxides mixture are based on a physical mixture of the powder oxides followed by calcination to obtain the desired phase. In order to obtain the membranes, we studied the conformation of bodies and the temperatures of sintering in the two powders synthesized. The powders were analyzed by density and grain size distribution and characterized by X-ray diffraction (XRD and scanning electron microscopy (SEM. After conformation, in cylindrical form, the green bodies were analyzed by density. After sintering at 1150 °C, the membranes were analyzed by density and they were characterized by XRD and SEM. The powder obtained by combustion synthesis shows lower density and fine grains than the other obtained by oxides mixture. The membranes obtained present very different morphology depending on the precursor powder synthesis. The sintered membranes obtained by combustion method also present a very uniform morphology without segregation.

  5. [Changes in features of diabetes care in Hungary in the period of years 2001-2014. Aims and methods of the database analysis of the National Health Insurance Fund].

    Science.gov (United States)

    Jermendy, György; Kempler, Péter; Abonyi-Tóth, Zsolt; Rokszin, György; Wittmann, István

    2016-08-01

    In the last couple of years, database analyses have become increasingly popular among clinical-epidemiological investigations. In Hungary, the National Health Insurance Fund serves as central database of all medical attendances in state departments and purchases of drug prescriptions in pharmacies. Data from in- and outpatient departments as well as those from pharmacies are regularly collected in this database which is public and accessible on request. The aim of this retrospective study was to investigate the database of the National Health Insurance Fund in order to analyze the diabetes-associated morbidity and mortality in the period of years 2001-2014. Moreover, data of therapeutic costs, features of hospitalizations and practice of antidiabetic treatment were examined. The authors report now on the method of the database analysis. It is to be hoped that the upcoming results of this investigation will add some new data to recent knowledge about diabetes care in Hungary. Orv. Hetil., 2016, 157(32), 1259-1265.

  6. Evaluation of the marginal and internal gaps of three different dental prostheses: comparison of the silicone replica technique and three-dimensional superimposition analysis.

    Science.gov (United States)

    Park, Jin-Young; Bae, So-Yeon; Lee, Jae-Jun; Kim, Ji-Hwan; Kim, Hae-Young; Kim, Woong-Chul

    2017-06-01

    The purposes of this study were to evaluate the marginal and internal gaps, and the potential clinical applications of three different methods of dental prostheses fabrication, and to compare the prostheses prepared using the silicone replica technique (SRT) and those prepared using the three-dimensional superimposition analysis (3DSA). Five Pekkton, lithium disilicate, and zirconia crowns were each manufactured and tested using both the SRT and the two-dimensional section of the 3DSA. The data were analyzed with the nonparametric version of a two-way analysis of variance using rank-transformed values and the Tukey's post-hoc test (α = .05). Significant differences were observed between the fabrication methods in the marginal gap (P .350), deep chamfer (P > .719), and axial wall (P > .150). As the 3DSA method is three-dimensional, it allows for the measurement of arbitrary points. All of the three fabrication methods are valid for measuring clinical objectives because they produced prostheses within the clinically acceptable range. Furthermore, a three-dimensional superimposition analysis verification method such as the silicone replica technique is also applicable in clinical settings.

  7. Beyond Storage Capacity in a Single Model Neuron: Continuous Replica Symmetry Breaking

    Science.gov (United States)

    Györgyi, G.; Reimann, P.

    2000-10-01

    A single McCulloch-Pitts neuron, that is, the simple perceptron is studied, with focus on the region beyond storage capacity. It is shown that Parisi's hierarchical ansatz for the overlap matrix of the synaptic couplings with so called continuous replica symmetry breaking is a solution, and as we propose it is the exact one, to the equilibrium problem. We describe some of the most salient features of the theory and give results about the low temperature region. In particular, the basics of the Parisi technique and the way to calculate thermodynamical expectation values is explained. We have numerically extremized the replica free energy functional for some parameter settings, and thus obtained the order parameter function, i.e., the probability distribution of overlaps. That enabled us to evaluate the probability density of the local stability parameter. We also performed a simulation and found a local stability density closer to the theoretical curve than previous numerical results were.

  8. Virtual Replica of Matter in Bivacuum & Possible Mechanism of Distant Mind - Matter and Mind - Mind Interaction

    CERN Document Server

    Kaivarainen, A

    2001-01-01

    The original mechanism of bivacuum mediated Mind-Matter and Mind-Mind interaction, proposed here, is based on the following stages of long term efforts: New dynamic models of bivacuum, sub-elementary particles and corpuscle-wave [C-W] duality, as a background of Superunification; New Hierarchic theory of liquids and solids; New Hierarchic model of elementary act of consciousness; Virtual Replica (VR)of matter, including living organisms, in bivacuum; The distant resonant [Mind-Bivacuum-Matter] and [Mind-Bivacuum-Mind] interaction, mediated by Bivacuum oscillation (BvO, accompanied by virtual particles/antiparticles pressure oscillation. The latter factor is related to oscillation of vacuum permittivity and permeability. The virtual replica (VR) of condensed matter (living organisms in private case), may influence the properties of virtual pressure of bivacuum in following manner: 1) changing the amplitude of virtual pressure waves (VPW) in-phase with Bivacuum oscillations (BvO). This factor is dependent on fr...

  9. PHYSICAL DISABILITY, STIGMA, AND PHYSICAL ACTIVITY IN CHILDREN: A REPLICA STUDY

    OpenAIRE

    Gebhardt, Markus; MORA Julio G.; SCHWAB Susanne

    2016-01-01

    Introduction: Stereotypes can be reduced through positive descriptions. A stigma that able-bodied adults have towards children with physical disability can be reduced when the child is portrayed as being active. The study found out that a sporty active child, who uses a wheelchair, is perceived as more competent than the sporty active able-bodied child. Objective: This study is a replica study to support the hypotheses and to examine the stereotypes of able-bodied adults towards children w...

  10. Characterization of Nb SRF cavity materials by white light interferometry and replica techniques

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Chen [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); The Applied Science Department, The College of William and Mary, Williamsburg, VA 23185 (United States); Reece, Charles [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); Kelley, Michael, E-mail: mkelley@jlab.org [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); The Applied Science Department, The College of William and Mary, Williamsburg, VA 23185 (United States)

    2013-06-01

    Much work has shown that the topography of the interior surface is an important contributor to the performance of Nb superconducting radiofrequency (SRF) accelerator cavities. Micron-scale topography is implicated in non-linear loss mechanisms that limit the useful accelerating gradient range and impact cryogenic cost. Aggressive final chemical treatments in cavity production seek to reliably obtain “smoothest” surfaces with superior performance. Process development suffers because the cavity interior surface cannot be viewed directly without cutting out pieces, rendering the cavities unavailable for further study. Here we explore replica techniques as an alternative, providing imprints of cavity internal surface that can be readily examined. A second matter is the topography measurement technique used. Atomic force microscopy (AFM) has proven successful, but too time intensive for routine use in this application. We therefore introduce white light interferometry (WLI) as an alternative approach. We examined real surfaces and their replicas, using AFM and WLI. We find that the replica/WLI is promising to provide the large majority of the desired information, recognizing that a trade-off is being made between best lateral resolution (AFM) and the opportunity to examine much more surface area (WLI).

  11. Biosynthesis of cathodoluminescent zinc oxide replicas using butterfly (Papilio paris) wing scales as templates

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Wang [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China); Zhang Di [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China)], E-mail: zhangdi@sjtu.edu.cn; Fan Tongxiang; Ding Jian; Gu Jiajun [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China); Guo Qixin; Ogawa, Hiroshi [Department of Electrical and Electronic Engineering, Saga University, Saga 840-8502 (Japan)

    2009-01-01

    Papilio paris butterflies have an iridescent blue color patch on their hind wings which is visible over a wide viewing angle. Optical and scanning electron microscopy observations of scales from the wings show that the blue color scales have very different microstructure to the matt black ones which also populate the wings. Scanning electron micrographs of the blue scales show that their surfaces comprise a regular two-dimensional array of concavities. By contrast the matt black scales have fine, sponge-like structure, between the ridges and the cross ribs in the scales. Using both types of scale as bio-templates, we obtain zinc oxide (ZnO) replicas of the microstructures of the original scales. Room temperature (T = 300 K) cathodoluminescence spectra of these ZnO replicas have also been studied. Both spectra show a similar sharp near-band-edge emission, but have different green emission, which we associate with the different microstructures of the ZnO replicas.

  12. A novel approach to evaluating the reproducibility of a replication technique for the manufacture of electroconductive replicas for use in quantitative clinical dental wear studies.

    Science.gov (United States)

    Chadwick, R G; Mitchell, H L; Ward, S

    2004-04-01

    The assessment of the progression of tooth surface loss has until recently been limited to either the application of subjective ranking scales or visual comparison of sequential study casts. The development of quantitative measuring techniques offers the potential of greater accuracy and sensitivity. As direct intra-oral measurement is problematical such approaches often utilize impressions of the teeth, recorded at different epochs, to construct replicas for mapping and comparison. This in vitro investigation sought to determine the reproducibility of such an approach taking into account the total process chain. Two inlay cavities (one large, one small) were prepared in the palatal aspect of a plastic maxillary central incisor and restored with two flush fitting inlays. A series of impressions of this tooth were recorded, using a special tray and an addition cured light bodied silicone impression material (President, Coltene, Switzerland), with (a) both inlays in (b) both inlays out (c) large inlay out and small inlay in (d) large inlay in and small inlay out - a total of 16 impressions. Electroconductive replicas were fabricated from these and mapped using a computer controlled probe. Each series simulated wear of the tooth. A surface matching and difference detection algorithm was then used to compare each series of replicas and calculate the proportion of the surface undergoing simulated wear by a direct comparison of (a) matched to (b) or, indirectly as the summation of the results of matches of (a) with (c) and (a) with (d). The mean proportion of the surface with wear calculated directly was 26.6% (s.d.=0.6) and indirectly 26.1% (s.d. = 0.5). A one-way anova revealed no significant difference (P > 0.05). It is concluded that determining wear by this method is highly reproducible.

  13. EUSO@TurLab: An experimental replica of ISS orbits

    Directory of Open Access Journals (Sweden)

    Bertaina M.

    2015-01-01

    Full Text Available The EUSO@TurLab project is an on-going activity aimed to reproduce atmospheric and luminous conditions that JEM-EUSO will encounter on its orbits around the Earth. The use of the TurLab facility, part of the Department of Physics of the University of Torino, allows the simulation of different surface conditions in a very dark and rotating environment in order to test the response of JEM-EUSO's sensors and sensitivity. The experimental setup currently in operation has been used to check the potential of the TurLab facility for the above purposes, and the acquired data will be used to test the concept of JEM-EUSO's trigger system.

  14. Replica casting technique for micro Fresnel lenses characterization

    DEFF Research Database (Denmark)

    Gasparin, Stefania; Tosello, Guido; Hansen, Hans Nørgaard

    2012-01-01

    The available measuring techniques are not always suitable for the characterization of optical surfaces such as Fresnel lenses or polished specimens. A way to overcome these challenges is to reproduce the optical components surface using a polymer casting method and to measure the replicated surf...

  15. Investigation on the micromilled surface characterization through replica technology

    DEFF Research Database (Denmark)

    Baruffi, Federico; Parenti, P.; Cacciatore, F.

    2016-01-01

    . This represents an open issue that, in some cases, can be tackled by adopting the replication technology. The method consists in obtaining the replicated surface and performing its measurement using suitable measuring systems. This paper evaluates the actual performance of a commercial replication product...

  16. Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristic.

    Science.gov (United States)

    Mignon, David; Simonson, Thomas

    2016-07-15

    Computational protein design depends on an energy function and an algorithm to search the sequence/conformation space. We compare three stochastic search algorithms: a heuristic, Monte Carlo (MC), and a Replica Exchange Monte Carlo method (REMC). The heuristic performs a steepest-descent minimization starting from thousands of random starting points. The methods are applied to nine test proteins from three structural families, with a fixed backbone structure, a molecular mechanics energy function, and with 1, 5, 10, 20, 30, or all amino acids allowed to mutate. Results are compared to an exact, "Cost Function Network" method that identifies the global minimum energy conformation (GMEC) in favorable cases. The designed sequences accurately reproduce experimental sequences in the hydrophobic core. The heuristic and REMC agree closely and reproduce the GMEC when it is known, with a few exceptions. Plain MC performs well for most cases, occasionally departing from the GMEC by 3-4 kcal/mol. With REMC, the diversity of the sequences sampled agrees with exact enumeration where the latter is possible: up to 2 kcal/mol above the GMEC. Beyond, room temperature replicas sample sequences up to 10 kcal/mol above the GMEC, providing thermal averages and a solution to the inverse protein folding problem. © 2016 Wiley Periodicals, Inc.

  17. A replica exchange Monte Carlo algorithm for protein folding in the HP model

    Directory of Open Access Journals (Sweden)

    Shmygelska Alena

    2007-09-01

    Full Text Available Abstract Background The ab initio protein folding problem consists of predicting protein tertiary structure from a given amino acid sequence by minimizing an energy function; it is one of the most important and challenging problems in biochemistry, molecular biology and biophysics. The ab initio protein folding problem is computationally challenging and has been shown to be NP MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaat0uy0HwzTfgDPnwy1egaryqtHrhAL1wy0L2yHvdaiqaacqWFneVtcqqGqbauaaa@3961@-hard even when conformations are restricted to a lattice. In this work, we implement and evaluate the replica exchange Monte Carlo (REMC method, which has already been applied very successfully to more complex protein models and other optimization problems with complex energy landscapes, in combination with the highly effective pull move neighbourhood in two widely studied Hydrophobic Polar (HP lattice models. Results We demonstrate that REMC is highly effective for solving instances of the square (2D and cubic (3D HP protein folding problem. When using the pull move neighbourhood, REMC outperforms current state-of-the-art algorithms for most benchmark instances. Additionally, we show that this new algorithm provides a larger ensemble of ground-state structures than the existing state-of-the-art methods. Furthermore, it scales well with sequence length, and it finds significantly better conformations on long biological sequences and sequences with a provably unique ground-state structure, which is believed to be a characteristic of real proteins. We also present evidence that our REMC algorithm can fold sequences which exhibit significant interaction between termini in the hydrophobic core relatively easily. Conclusion We demonstrate that REMC utilizing the pull move

  18. Inferring predator behavior from attack rates on prey-replicas that differ in conspicuousness.

    Directory of Open Access Journals (Sweden)

    Yoel E Stuart

    Full Text Available Behavioral ecologists and evolutionary biologists have long studied how predators respond to prey items novel in color and pattern. Because a predatory response is influenced by both the predator's ability to detect the prey and a post-detection behavioral response, variation among prey types in conspicuousness may confound inference about post-prey-detection predator behavior. That is, a relatively high attack rate on a given prey type may result primarily from enhanced conspicuousness and not predators' direct preference for that prey. Few studies, however, account for such variation in conspicuousness. In a field experiment, we measured predation rates on clay replicas of two aposematic forms of the poison dart frog Dendrobates pumilio, one novel and one familiar, and two cryptic controls. To ask whether predators prefer or avoid a novel aposematic prey form independently of conspicuousness differences among replicas, we first modeled the visual system of a typical avian predator. Then, we used this model to estimate replica contrast against a leaf litter background to test whether variation in contrast alone could explain variation in predator attack rate. We found that absolute predation rates did not differ among color forms. Predation rates relative to conspicuousness did, however, deviate significantly from expectation, suggesting that predators do make post-detection decisions to avoid or attack a given prey type. The direction of this deviation from expectation, though, depended on assumptions we made about how avian predators discriminate objects from the visual background. Our results show that it is important to account for prey conspicuousness when investigating predator behavior and also that existing models of predator visual systems need to be refined.

  19. Multiple replica repulsion technique for efficient conformational sampling of biological systems.

    Science.gov (United States)

    Malevanets, Anatoly; Wodak, Shoshana J

    2011-08-17

    Here, we propose a technique for sampling complex molecular systems with many degrees of freedom. The technique, termed "multiple replica repulsion" (MRR), does not suffer from poor scaling with the number of degrees of freedom associated with common replica exchange procedures and does not require sampling at high temperatures. The algorithm involves creation of multiple copies (replicas) of the system, which interact with one another through a repulsive potential that can be applied to the system as a whole or to portions of it. The proposed scheme prevents oversampling of the most populated states and provides accurate descriptions of conformational perturbations typically associated with sampling ground-state energy wells. The performance of MRR is illustrated for three systems of increasing complexity. A two-dimensional toy potential surface is used to probe the sampling efficiency as a function of key parameters of the procedure. MRR simulations of the Met-enkephalin pentapeptide, and the 76-residue protein ubiquitin, performed in presence of explicit water molecules and totaling 32 ns each, investigate the ability of MRR to characterize the conformational landscape of the peptide, and the protein native basin, respectively. Results obtained for the enkephalin peptide reflect more closely the extensive conformational flexibility of this peptide than previously reported simulations. Those obtained for ubiquitin show that conformational ensembles sampled by MRR largely encompass structural fluctuations relevant to biological recognition, which occur on the microsecond timescale, or are observed in crystal structures of ubiquitin complexes with other proteins. MRR thus emerges as a very promising simple and versatile technique for modeling the structural plasticity of complex biological systems. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  20. Time-reversal focusing of an expanding soliton gas in disordered replicas

    KAUST Repository

    Fratalocchi, Andrea

    2011-05-31

    We investigate the properties of time reversibility of a soliton gas, originating from a dispersive regularization of a shock wave, as it propagates in a strongly disordered environment. An original approach combining information measures and spin glass theory shows that time-reversal focusing occurs for different replicas of the disorder in forward and backward propagation, provided the disorder varies on a length scale much shorter than the width of the soliton constituents. The analysis is performed by starting from a new class of reflectionless potentials, which describe the most general form of an expanding soliton gas of the defocusing nonlinear Schrödinger equation.

  1. Chiral-glass transition and replica symmetry breaking of a three-dimensional heisenberg spin glass

    Science.gov (United States)

    Hukushima; Kawamura

    2000-02-01

    Extensive equilibrium Monte Carlo simulations are performed for a three-dimensional Heisenberg spin glass with the nearest-neighbor Gaussian coupling to investigate its spin-glass and chiral-glass orderings. The occurrence of a finite-temperature chiral-glass transition without the conventional spin-glass order is established. Critical exponents characterizing the transition are different from those of the standard Ising spin glass. The calculated overlap distribution suggests the appearance of a peculiar type of replica-symmetry breaking in the chiral-glass ordered state.

  2. Replica symmetry breaking transition of the weakly anisotropic Heisenberg spin glass in magnetic fields.

    Science.gov (United States)

    Imagawa, Daisuke; Kawamura, Hikaru

    2004-02-20

    The spin and the chirality orderings of the three-dimensional Heisenberg spin glass with the weak random anisotropy are studied under applied magnetic fields by equilibrium Monte Carlo simulations. A replica symmetry breaking transition occurs in the chiral sector accompanied by the simultaneous spin-glass order. The ordering behavior differs significantly from that of the Ising spin glass, despite the similarity in the global symmetry. Our observation is consistent with the spin-chirality decoupling-recoupling scenario of a spin-glass transition.

  3. Investigation on a replica step gauge for optical 3D scanning of micro parts

    DEFF Research Database (Denmark)

    Cantatore, Angela; De Chiffre, Leonardo; Carmignato, S.

    2010-01-01

    . The stability over time of the step gauge was evaluated by repetitive measurement campaigns over a period of eight months, using measurements taken with a tactile CMM and with an optical scanner. Surface cooperativeness was investigated by measuring artefact grooves and pitch and comparing results with tactile......This work deals with investigation of the stability over time and surface cooperativeness of a calibration artefact intended for optical scanner verification. A replica step gauge with 11 grooves, made of bisacryl material for dental applications (luxabite) and previously fabricated was studied...

  4. Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.

    Science.gov (United States)

    Ostermeir, Katja; Zacharias, Martin

    2014-12-01

    Coarse-grained elastic network models (ENM) of proteins offer a low-resolution representation of protein dynamics and directions of global mobility. A Hamiltonian-replica exchange molecular dynamics (H-REMD) approach has been developed that combines information extracted from an ENM analysis with atomistic explicit solvent MD simulations. Based on a set of centers representing rigid segments (centroids) of a protein, a distance-dependent biasing potential is constructed by means of an ENM analysis to promote and guide centroid/domain rearrangements. The biasing potentials are added with different magnitude to the force field description of the MD simulation along the replicas with one reference replica under the control of the original force field. The magnitude and the form of the biasing potentials are adapted during the simulation based on the average sampled conformation to reach a near constant biasing in each replica after equilibration. This allows for canonical sampling of conformational states in each replica. The application of the methodology to a two-domain segment of the glycoprotein 130 and to the protein cyanovirin-N indicates significantly enhanced global domain motions and improved conformational sampling compared with conventional MD simulations.

  5. 基于 Shamir 秘密共享的云端多副本审计%Multiple-replica auditing in clouds using Shamir secret sharing

    Institute of Scientific and Technical Information of China (English)

    田晖; 陈羽翔; 黄永峰

    2016-01-01

    For auditing the integrity of multiple-replica in clouds,a public auditing scheme based on Shamir secret sharing was presented.The scheme can generate diverse data tags for different replicas of a given file using Shamir-secret-sharing algorithm,which is helpful for avoiding possible attacks from cloud service provider (CSP)and locating errors while the CSP does not exactly store all required replicas.Further,the scheme support batch auditing for multiple-replicas using Boneh-Lynn-Shacham (BLS)signature and bilinear maps,which can cut down times of interactions between the CSP and the auditor,and reduce communication costs.Moreover,random masks were introduced in user′s data preprocessing and auditing process to avert conspiracy attack of the CSP and prevent privacy leakage. The security of the presented scheme was proved in theory,and the auditing performance was experi-mentally compared with that of the previous work.The experimental results demonstrate that the pro-posed scheme can effectively achieve secure auditing for multiple-replica in clouds,and outperforms the existing methods on both time and space costs.%针对云端多副本审计问题,提出了一种基于 Shamir 秘密共享的审计方案。该方案利用 Shamir 秘密共享算法为同一数据文件的所有副本生成不同的数据标签,以防范云服务提供商的多种攻击,且根据该算法特性生成的聚合标签能有助于实现云服务提供商未完全持有全部副本数据时的出错定位;利用 BLS (Boneh-Lynn-Shacham)签名和双线性映射技术实现了多副本的批量审计,避免了云服务提供商与审计者之间的多次交互,从而降低了审计过程中的通信开销;通过在用户数据预处理阶段引入随机掩码实现了对合谋攻击的防范,并在审计过程中应用随机掩码避免了用户隐私的泄漏。对提出方案的安全性进行了理论证明,并与已有方法在性能方面进行了比较和实

  6. Photonic ferromagnetic-like spontaneous mode-locking phase transition with replica symmetry breaking in multimode Nd:YAG laser

    CERN Document Server

    Moura, André L; Raposo, Ernesto P; Gomes, Anderson S L; de Araújo, Cid B

    2016-01-01

    The recent reports of the replica symmetry breaking (RSB) phenomenon in photonic experiments [1-5] boosted the understanding of the role of disorder in multimode lasers, as well as helped to settle enlightening connections [6-13] with the statistical physics of complex systems. RSB manifests when identically-prepared system replicas reach distinct states, yielding different measures of observable quantities [14]. Here we demonstrate the RSB in the spontaneous mode-locking regime of a conventional multimode Nd:YAG laser in a closed cavity. The underlying mechanism is quite distinct from that of the RSB spinglass phase in cavityless random lasers with incoherently-oscillating modes. Here, a specific nonuniform distribution of the gain takes place in each pulse, and frustration is induced since the coherent oscillation of a given subset of longitudinal modes dominates and simultaneously inhibits the others. Nevertheless, when high losses are introduced only the replica-symmetric amplified stimulation emission is...

  7. Flow field analysis in a compliant acinus replica model using particle image velocimetry (PIV).

    Science.gov (United States)

    Berg, Emily J; Weisman, Jessica L; Oldham, Michael J; Robinson, Risa J

    2010-04-19

    Inhaled particles reaching the alveolar walls have the potential to cross the blood-gas barrier and enter the blood stream. Experimental evidence of pulmonary dosimetry, however, cannot be explained by current whole lung dosimetry models. Numerical and experimental studies shed some light on the mechanisms of particle transport, but realistic geometries have not been investigated. In this study, a three dimensional expanding model including two generations of respiratory bronchioles and five terminal alveolar sacs was created from a replica human lung cast. Flow visualization techniques were employed to quantify the fluid flow while utilizing streamlines to evaluate recirculation. Pathlines were plotted to track the fluid motion and estimate penetration depth of inhaled air. This study provides evidence that the two generations immediately proximal to the terminal alveolar sacs do not have recirculating eddies, even for intense breathing. Results of Peclet number calculations indicate that substantial convective motion is present in vivo for the case of deep breathing, which significantly increases particle penetration into the alveoli. However, particle diffusion remains the dominant mechanism of particle transport over convection, even for intense breathing because inhaled particles do not reach the alveolar wall in a single breath by convection alone. Examination of the velocity fields revealed significant uneven ventilation of the alveoli during a single breath, likely due to variations in size and location. This flow field data, obtained from replica model geometry with realistic breathing conditions, provides information to better understand fluid and particle behavior in the acinus region of the lung.

  8. Mimicking the action of folding chaperones by Hamiltonian replica-exchange molecular dynamics simulations : Application in the refinement of de novo models

    NARCIS (Netherlands)

    Fan, Hao; Periole, Xavier; Mark, Alan E.

    2012-01-01

    The efficiency of using a variant of Hamiltonian replica-exchange molecular dynamics (Chaperone H-replica-exchange molecular dynamics [CH-REMD]) for the refinement of protein structural models generated de novo is investigated. In CH-REMD, the interaction between the protein and its environment, spe

  9. Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

    Science.gov (United States)

    2011-12-01

    and Biochemistry , U.S. Army Medical Research Institute of Infectious Diseases, Fort Detrick, Maryland §Computational Sciences and Engineering Branch...of motion of a system with constraints: molecular dynamics of n- alkanes . J. Comput. Phys. 1977, 23, 327–341. (29) Feig, M.; Karanicolas, J.; Brooks, C

  10. Skylab 3600 groove/mm replica grating with a scandium-silicon multilayer coating and high normal-incidence efficiency at 38-nm wavelength.

    Science.gov (United States)

    Seely, John F; Uspenskii, Yu A; Pershin, Yu P; Kondratenko, V V; Vinogradov, A V

    2002-04-01

    A Sc-Si multilayer coating was applied to a replica of the 3600 groove/mm grating, developed for the SO82A spectroheliograph that flew on the Skylab mission, for the purpose of enhancing the normal-incidence efficiency in the extreme-ultraviolet region. The efficiency, measured at an angle of incidence of 6 degrees with synchrotron radiation, had a maximum value of 7.2% at a wavelength of 38 nm and was a factor of 3 higher than the efficiency of the gold-coated Skylab grating. The measured efficiency of the Sc-Si grating was in good agreement with the efficiency calculated by use of the modified integral method.

  11. Instituto de Fisica, UFRGS, CP 15051, 91501-970, Porto Alegre RS, Brazil: Replica theory of granular media

    Science.gov (United States)

    Arenzon, Jeferson J.

    1999-03-01

    An infinite range spin-glass-like model for granular systems is introduced and studied through the replica mean-field formalism. Equilibrium, density-dependent properties under vibration and gravity are obtained that qualitatively resemble the results from real and numerical experiments.

  12. Validation of airway resistance models for predicting pressure loss through anatomically realistic conducting airway replicas of adults and children.

    Science.gov (United States)

    Borojeni, Azadeh A T; Noga, Michelle L; Martin, Andrew R; Finlay, Warren H

    2015-07-16

    This work describes in vitro measurement of the total pressure loss at varying flow rate through anatomically realistic conducting airway replicas of 10 children, 4 to 8 years old, and 5 adults. Experimental results were compared with analytical predictions made using published airway resistance models. For the adult replicas, the model proposed by van Ertbruggen et al. (2005. J. Appl. Physiol. 98, 970-980) most accurately predicted central conducting airway resistance for inspiratory flow rates ranging from 15 to 90 L/min. Models proposed by Pedley et al. (1970. J. Respir. Physiol. 9, 371-386) and by Katz et al. (2011. J. Biomech. 44, 1137-1143) also provided reasonable estimates, but with a tendency to over predict measured pressure loss for both models. For child replicas, the Pedley and Katz models both provided good estimation of measured pressure loss at flow rates representative of resting tidal breathing, but under predicted measured values at high inspiratory flow rate (60 L/min). The van Ertbruggen model, developed based on flow simulations performed in an adult airway model, tended to under predict measured pressure loss through the child replicas across the range of flow rates studied (2 to 60 L/min). These results are intended to provide guidance for selection of analytical pressure loss models for use in predicting airway resistance and ventilation distribution in adults and children. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge

    Science.gov (United States)

    Ding, Chao; Yang, Lijun; Wu, Meng

    2017-01-01

    Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies. PMID:28098846

  14. Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge.

    Science.gov (United States)

    Ding, Chao; Yang, Lijun; Wu, Meng

    2017-01-15

    Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies.

  15. The 2003 Goddard Rocket Replica Project: A Reconstruction of the World's First Functional Liquid Rocket System

    Science.gov (United States)

    Farr, R. A.; Elam, S. K.; Hicks, G. D.; Sanders, T. M.; London, J. R.; Mayne, A. W.; Christensen, D. L.

    2003-01-01

    As a part of NASA s 2003 Centennial of Flight celebration, engineers and technicians at Marshall Space Flight Center (MSFC), Huntsville, Alabama, in cooperation with the Alabama-Mississippi AIAA Section, have reconstructed historically accurate, functional replicas of Dr. Robert H. Goddard s 1926 first liquid- fuel rocket. The purposes of this project were to clearly understand, recreate, and document the mechanisms and workings of the 1926 rocket for exhibit and educational use, creating a vital resource for researchers studying the evolution of liquid rocketry for years to come. The MSFC team s reverse engineering activity has created detailed engineering-quality drawings and specifications describing the original rocket and how it was built, tested, and operated. Static hot-fire tests, as well as flight demonstrations, have further defined and quantified the actual performance and engineering actual performance and engineering challenges of this major segment in early aerospace history.

  16. Shear modulus of glasses: results from the full replica-symmetry-breaking solution.

    Science.gov (United States)

    Yoshino, Hajime; Zamponi, Francesco

    2014-08-01

    We compute the shear modulus of amorphous hard and soft spheres, using the exact solution in infinite spatial dimensions that has been developed recently. We characterize the behavior of this observable in the whole phase diagram, and in particular around the glass and jamming transitions. Our results are consistent with other theoretical approaches, which are unified within this general picture, and they are also consistent with numerical and experimental results. Furthermore, we discuss some properties of the out-of-equilibrium dynamics after a deep quench close to the jamming transition, and we show that a combined measure of the shear modulus and of the mean square displacement allows one to probe experimentally the complex structure of phase space predicted by the full replica-symmetry-breaking solution.

  17. Folding of SAM-II riboswitch explored by replica-exchange molecular dynamics simulation.

    Science.gov (United States)

    Xue, Xu; Yongjun, Wang; Zhihong, Li

    2015-01-21

    Riboswitches are cis-acting RNA fragments that function via a conformational transition mechanism when a specific target molecule binds to its binding pocket, representing an inviting new class of biomolecular target for the development of antibiotics. To understand the folding mechanism of SAM-II riboswitch, occurring predominantly in proteobacteria, a 100ns replica-exchange molecular dynamics simulation in explicit solvent is performed. Our results show that this RNA pseudoknot has multiple folding pathways, and various intermediate structures. The resultant riboswitch conformational transition map is well consistent with the recent fluorescence measurement, which confirms the dynamical properties of this pseudoknot. Moreover, a novel transition pathway is predicted. The global folding dynamics is mainly coupled with the helix rather than the loop region. The potential folding pathways of the riboswitch presented here should lead to a deeper understanding of the folding mechanism of the riboswitch, as well as the conformational change of RNA pseudoknot.

  18. Coexistence of Replica Bands and Superconductivity in FeSe Monolayer Films

    Science.gov (United States)

    Rebec, S. N.; Jia, T.; Zhang, C.; Hashimoto, M.; Lu, D.-H.; Moore, R. G.; Shen, Z.-X.

    2017-02-01

    To elucidate the mechanisms behind the enhanced Tc in monolayer (1 ML) FeSe on SrTiO3 (STO), we grew highly strained 1 ML FeSe on the rectangular (100) face of rutile TiO2 , and observed the coexistence of replica bands and superconductivity with a Tc of 63 K. From the similar Tc between this system and 1ML FeSe on STO (001), we conclude that strain and dielectric constant are likely unimportant to the enhanced Tc in these systems. A systematic comparison of 1 ML FeSe on TiO2 with other systems in the FeSe family shows that while charge transfer alone can enhance Tc, it is only with the addition of interfacial electron-phonon coupling that Tc can be increased to the level seen in 1 ML FeSe on STO.

  19. Characterizing folding funnels with replica exchange Wang-Landau simulation of lattice proteins.

    Science.gov (United States)

    Shi, Guangjie; Wüst, Thomas; Landau, David P

    2016-11-01

    We have studied the folding of ribonuclease A by mapping it onto coarse-grained lattice protein models. With replica exchange Wang-Landau sampling, we calculated the free energy vs end-to-end distance as a function of temperature. A mapping to the famous hydrophobic-polar (HP) model shows a relatively shallow folding funnel and flat free energy minimum, reflecting the high degeneracy of the ground state. In contrast, extending the HP model with an additional "neutral" monomer type (i.e., a mapping to the three-letter H0P model) has a well developed, rough free energy funnel with a low degeneracy ground state. In both cases, folding funnels are asymmetric with temperature dependent shape.

  20. Replica-exchange Wang-Landau simulations of the H0P lattice protein model

    Science.gov (United States)

    Shi, Guangjie; Wüst, Thomas; Li, Ying Wai; Landau, David P.

    The hydrophobic-polar (HP) lattice protein model has been the subject of intensive investigation in an effort to aid our understanding of protein folding. However, the high ground state degeneracies caused by its simplification stands in contrast to the generally unique native states of natural proteins. Here we proposed a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, thus rendering the model more realistic without increasing the difficulties of sampling significantly. With the replica exchange Wang-Landau (REWL) scheme we investigated several widely studied HP proteins and their H0P counterparts. Dramatic differences in both ground state and thermodynamic properties have been found. For example, the H0P version of Crambin shows more clear two-step folding and 3 order of magnitudes less ground state degeneracy than its HP counterpart. Supported by NSF.

  1. Orientational glass: Full replica symmetry breaking in generalized spin glass-like models without reflection symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Tareyeva, E.E. [Institute for High Pressure Physics, Russian Academy of Sciences, 142190 Troitsk (Russian Federation); Schelkacheva, T.I., E-mail: tanschelk@gmail.com [Institute for High Pressure Physics, Russian Academy of Sciences, 142190 Troitsk (Russian Federation); Chtchelkatchev, N.M. [Institute for High Pressure Physics, Russian Academy of Sciences, 142190 Troitsk (Russian Federation); L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 117940 Moscow (Russian Federation); Department of Theoretical Physics, Moscow Institute of Physics and Technology, 141700 Moscow (Russian Federation)

    2013-02-15

    We investigate near the point of glass transition the expansion of the free energy corresponding to the generalized Sherrington–Kirkpatrick model with arbitrary diagonal operators U{sup -hat} standing instead of Ising spins. We focus on the case when U{sup -hat} is an operator with broken reflection symmetry. Such a consideration is important for understanding the behavior of spin glass-like phases in a number of real physical systems, mainly in orientational glasses in mixed molecular crystals which present just the case. We build explicitly a full replica symmetry breaking (FRSB) solution of the equations for the orientational glass order parameters when the nonsymmetric part of U{sup -hat} is small. This particular result presents a counterexample in the context of usually adopted conjecture of the absence of FRSB solution in systems with no reflection symmetry.

  2. Characterizing folding funnels with replica exchange Wang-Landau simulation of lattice proteins

    Science.gov (United States)

    Shi, Guangjie; Wüst, Thomas; Landau, David P.

    2016-11-01

    We have studied the folding of ribonuclease A by mapping it onto coarse-grained lattice protein models. With replica exchange Wang-Landau sampling, we calculated the free energy vs end-to-end distance as a function of temperature. A mapping to the famous hydrophobic-polar (HP) model shows a relatively shallow folding funnel and flat free energy minimum, reflecting the high degeneracy of the ground state. In contrast, extending the HP model with an additional "neutral" monomer type (i.e., a mapping to the three-letter H0P model) has a well developed, rough free energy funnel with a low degeneracy ground state. In both cases, folding funnels are asymmetric with temperature dependent shape.

  3. Behavioural responses of dogs to asymmetrical tail wagging of a robotic dog replica.

    Science.gov (United States)

    Artelle, K A; Dumoulin, L K; Reimchen, T E

    2011-03-01

    Recent evidence suggests that bilateral asymmetry in the amplitude of tail wagging of domestic dogs (Canis familiaris) is associated with approach (right wag) versus withdrawal (left wag) motivation and may be the by-product of hemispheric dominance. We consider whether such asymmetry in motion of the tail, a crucial appendage in intra-specific communication in all canids, provides visual information to a conspecific leading to differential behaviour. To evaluate this, we experimentally investigated the approach behaviour of free-ranging dogs to the asymmetric tail wagging of a life-size robotic dog replica. Our data, involving 452 separate interactions, showed a significantly greater proportion of dogs approaching the model continuously without stopping when the tail wagged to the left, compared with a right wag, which was more likely to yield stops. While the results indicate that laterality of a wagging tail provides behavioural information to conspecifics, the responses are not readily integrated into the predicted behaviour based on hemispheric dominance.

  4. Orientational glass: Full replica symmetry breaking in generalized spin glass-like models without reflection symmetry

    Science.gov (United States)

    Tareyeva, E. E.; Schelkacheva, T. I.; Chtchelkatchev, N. M.

    2013-02-01

    We investigate near the point of glass transition the expansion of the free energy corresponding to the generalized Sherrington-Kirkpatrick model with arbitrary diagonal operators Uˆ standing instead of Ising spins. We focus on the case when Uˆ is an operator with broken reflection symmetry. Such a consideration is important for understanding the behavior of spin glass-like phases in a number of real physical systems, mainly in orientational glasses in mixed molecular crystals which present just the case. We build explicitly a full replica symmetry breaking (FRSB) solution of the equations for the orientational glass order parameters when the nonsymmetric part of Uˆ is small. This particular result presents a counterexample in the context of usually adopted conjecture of the absence of FRSB solution in systems with no reflection symmetry.

  5. Conformation transitions of a single polyelectrolyte chain in a poor solvent: a replica-exchange lattice Monte-Carlo study.

    Science.gov (United States)

    Wang, Lang; Wang, Zheng; Jiang, Run; Yin, Yuhua; Li, Baohui

    2017-03-15

    The thermodynamic behaviors of a strongly charged polyelectrolyte chain in a poor solvent are studied using replica-exchange Monte-Carlo simulations on a lattice model, focusing on the effects of finite chain length and the solvent quality on the chain conformation and conformation transitions. The neutralizing counterions and solvent molecules are considered explicitly. The thermodynamic quantities that vary continuously with temperature over a wide range are computed using the multiple histogram reweighting method. Our results suggest that the strength of the short-range hydrophobic interaction, the chain length, and the temperature of the system, characterized by ε, N, and T, respectively, are important parameters that control the conformations of a charged chain. When ε is moderate, the competition between the electrostatic energy and the short-range hydrophobic interaction leads to rich conformations and conformation transitions for a longer chain with a fixed length. Our results have unambiguously demonstrated the stability of the n-pearl-necklace structures, where n has a maximum value and decreases with decreasing temperature. The maximum n value increases with increasing chain length. Our results have also demonstrated the first-order nature of the conformation transitions between the m-pearl and the (m-1)-pearl necklaces. With the increase of ε, the transition temperature increases and the first-order feature becomes more pronounced. It is deduced that at the thermodynamic limit of infinitely long chain length, the conformational transitions between the m-pearl and the (m-1)-pearl necklaces may remain first order when ε > 0 and m = 2 or 3. Pearl-necklace conformations cannot be observed when either ε is too large or N is too small. To observe a pearl-necklace conformation, the T value needs to be carefully chosen for simulations performed at only a single temperature.

  6. Guide for SCAMPI Appraisals: Accelerated Improvement Method (AIM)

    Science.gov (United States)

    2010-12-01

    Form 44 PIP Process Improvement Proposal 46 ROLE Team Roles 48 ROLEMX Role Assignment Matrix 50 RSIM Relevant Stakeholder Involvement Matrix 52...roles need to be involved in which scripted activities. ROLES tab in the TSP Excel tool defines team roles . Form SRAM Stakeholder Role...Checkpoint, Role reports in team meetings Management and customer status presentations and meeting minutes The coach, team members and team roles monitor

  7. The KGB (Russian Secret Police): Its composition, aims and methods

    African Journals Online (AJOL)

    There are two primary governing bodies in the. Soviet Union: one ... which happens to combine all three moments of authority ... sinecure may last: the death of a Soviet supremo may precipitate ... Still, fear and ...... powerful emotional appeal.

  8. Take AIM and Keep Your Students Engaged

    Science.gov (United States)

    Nash, Catherine

    2014-01-01

    This paper outlines the benefits to distance education teachers of formatting a weekly online newsletter in accordance with motivational learning theory. It reflects on the delivery of weekly AIM newsletters to undergraduate economics students at the Open Polytechnic of New Zealand via Moodle. The acronym, AIM, stands for Academic content,…

  9. Is "Freedom" an Aim of Education?

    Science.gov (United States)

    Abinum, Joseph

    1979-01-01

    The purpose of this paper is to show that "freedom" properly understood cannot be an aim or an ideal of education, and that when educators talk of "freedom" as an aim or ideal of education, they usually have in mind the development of autonomy. (Author)

  10. Aims of education in South Africa

    Science.gov (United States)

    Morrow, Walter Eugene

    1990-06-01

    The first part of this paper gives a historical account of the aims of education under Apartheid, and discusses the ideological success of Apartheid education. The second part argues that a significant discussion — that is one which could have some purchase on schooling policy and educational practice — of aims of education in South Africa is not possible at present because the historical preconditions for such a discussion are not satisfied. It is argued that Apartheid has generated a political perspective which is unsympathetic to a discussion of aims of education; that the dominance of a social engineering model of schooling distorts a discussion of aims of education; and that a shared moral discourse, which is a necessary condition for a significant discussion of aims of education, does not yet exist in South Africa.

  11. Cliché fabrication method using precise roll printing process with 5 um pattern width

    Science.gov (United States)

    Shin, Yejin; Kim, Inyoung; Oh, Dong-Ho; Lee, Taik-Min

    2016-09-01

    Among the printing processes for printed electronic devices, gravure offset and reverse offset method have drawn attention for its fine pattern printing possibility. These printing methods use cliché, which has critical effect on the final product precision and quality. In this research, a novel precise cliché replica method is proposed. It consists of copper sputtering, precise mask pattern printing with 5 um width using reverse offset printing, Ni electroplating, lift-off, etching, and DLC coating. We finally compare the fabricated replica cliché with the original one and print out precise patterns using the replica cliché.

  12. Observation of Replica Symmetry Breaking in the 1D Anderson Localization Regime in an Erbium-Doped Random Fiber Laser

    CERN Document Server

    Gomes, Anderson S L; Pincheira, Pablo I R; Moura, André L; Gagné, Mathieu; Kashyap, Raman; Raposo, Ernesto P; de Araújo, Cid B

    2016-01-01

    The analogue of the paramagnetic to spin-glass phase transition in disordered magnetic systems, leading to the phenomenon of replica symmetry breaking, has been recently demonstrated in a two-dimensional random laser consisting of an organic-based amorphous solid-state thin film. We report here the first demonstration of replica symmetry breaking in a one-dimensional photonic system consisting of an erbium-doped random fiber laser operating in the continuous-wave regime based on a unique random fiber grating system, which plays the role of the random scatterers and operates in the Anderson localization regime. The clear transition from a photonic paramagnetic to a photonic spin glass phase, characterized by the probability distribution function of the Parisi overlap, was verified and characterized. In this unique system, the radiation field interacts only with the gain medium, and the fiber grating, which provides the disordered feedback mechanism, does not interfere with the pump.

  13. Discrimination and the aim of proportional representation

    DEFF Research Database (Denmark)

    Lippert-Rasmussen, Kasper

    2008-01-01

    Many organizations, companies, and so on are committed to certain representational aims as regards the composition of their workforce. One motivation for such aims is the assumption that numerical underrepresentation of groups manifests discrimination against them. In this article, I articulate...... representational aims in a way that best captures this rationale. My main claim is that the achievement of such representational aims is reducible to the elimination of the effects of wrongful discrimination on individuals and that this very important concern is, in principle, compatible with the representation...... of discrimination against numerically overrepresented groups, or overlook the innocently different ambitions of some numerically underrepresented groups. In relation to the latter point, I appeal to the fact that many luck egalitarians think justice should be ambition sensitive (but endowment insensitive). Also...

  14. On the Aims and Responsibilities of Science

    Directory of Open Access Journals (Sweden)

    Hugh Lacey

    2007-06-01

    Full Text Available I offer a view of the aims and responsibilities of science, and use it to analyze critically van Fraassen’s view that ‘objectifying inquiry’ is fundamental to the nature of science.

  15. Discrimination and the aim of proportional representation

    DEFF Research Database (Denmark)

    Lippert-Rasmussen, Kasper

    2008-01-01

    Many organizations, companies, and so on are committed to certain representational aims as regards the composition of their workforce. One motivation for such aims is the assumption that numerical underrepresentation of groups manifests discrimination against them. In this article, I articulate...... representational aims in a way that best captures this rationale. My main claim is that the achievement of such representational aims is reducible to the elimination of the effects of wrongful discrimination on individuals and that this very important concern is, in principle, compatible with the representation...... of discrimination against numerically overrepresented groups, or overlook the innocently different ambitions of some numerically underrepresented groups. In relation to the latter point, I appeal to the fact that many luck egalitarians think justice should be ambition sensitive (but endowment insensitive). Also...

  16. Presentation of Database on Aims and Visions

    DEFF Research Database (Denmark)

    Lundgaard, Jacob

    2005-01-01

    This presentation presents a database on aims and visions regarding regional development and transport and infrastructure in the corridor from Oslo-Göteborg-Copenhagen-Berlin. The process, the developed methodology as well as the result of the database is presented.......This presentation presents a database on aims and visions regarding regional development and transport and infrastructure in the corridor from Oslo-Göteborg-Copenhagen-Berlin. The process, the developed methodology as well as the result of the database is presented....

  17. Comparing 2D pictures with 3D replicas for the digital preservation and analysis of tangible heritage.

    OpenAIRE

    Galeazzi, Fabrizio; Di Giuseppantonio Di Franco, Paola; Matthews, Justin L.

    2015-01-01

    This is the author accepted manuscript. The final version is available from Taylor & Francis via http://dx.doi.org/10.1080/09647775.2015.1042515 In this paper, we present two experiments designed to compare 2D digital pictures and 3D digital replicas of artefacts, to understand how differently these media facilitate the perception and understanding of our past. Archaeologists and museum experts have commonly used 2D digital pictures to preserve and study artefacts. Recently these scholars ...

  18. Multiple Replicas of Block Copolymer Thin Films from a Brushless Organosilicate Substrate

    Science.gov (United States)

    Suh, Hyo Seon; Yoon, Hyunsik; Char, Kookheon

    2011-03-01

    The chain end-grafted polymer brushes or cross-linked polymer mats have typically been utilized as the surface modification layers to induce the perpendicular orientation of block copolymer (BCP) thin films. Instead of such polymer-based approaches, we have recently introduced a new concept to control the BCP orientation using the brushless organosilicate (OS) substrates, whose surface energy can be finely tuned with thermal treatment. In this brushless case, the BCP chains do not penetrate into the underlying hard OS substrates during thermal annealing of BCP films, therefore, the BCP chains at the interface have no entangled structure with fairly weak adhesion of BCP films against the substrate. Owing to such weak adhesion of BCP films against the OS substrate, the perpendicularly oriented BCP film on a neutral OS substrate could be easily peeled off and transferred to a UV-curable resin applied onto the BCP film. The OS substrate after the peel-off process of a BCP film could regenerate the perpendicularly oriented BCP films since the surface energy of the OS substrate remains intact during the peel-off process. Furthermore, the direct-assembled BCP films on chemically patterned OS substrates could also be peeled off and transferred on to a UV-curable resin, allowing us to produce multiple replicas of direct-assembled BCP thin films from a single chemically patterned OS substrate.

  19. Plasticity of 150-loop in influenza neuraminidase explored by Hamiltonian replica exchange molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Nanyu Han

    Full Text Available Neuraminidase (NA of influenza is a key target for antiviral inhibitors, and the 150-cavity in group-1 NA provides new insight in treating this disease. However, NA of 2009 pandemic influenza (09N1 was found lacking this cavity in a crystal structure. To address the issue of flexibility of the 150-loop, Hamiltonian replica exchange molecular dynamics simulations were performed on different groups of NAs. Free energy landscape calculated based on the volume of 150-cavity indicates that 09N1 prefers open forms of 150-loop. The turn A (residues 147-150 of the 150-loop is discovered as the most dynamical motif which induces the inter-conversion of this loop among different conformations. In the turn A, the backbone dynamic of residue 149 is highly related with the shape of 150-loop, thus can function as a marker for the conformation of 150-loop. As a contrast, the closed conformation of 150-loop is more energetically favorable in N2, one of group-2 NAs. The D147-H150 salt bridge is found having no correlation with the conformation of 150-loop. Instead the intimate salt bridge interaction between the 150 and 430 loops in N2 variant contributes the stabilizing factor for the closed form of 150-loop. The clustering analysis elaborates the structural plasticity of the loop. This enhanced sampling simulation provides more information in further structural-based drug discovery on influenza virus.

  20. Plasticity of 150-loop in influenza neuraminidase explored by Hamiltonian replica exchange molecular dynamics simulations.

    Science.gov (United States)

    Han, Nanyu; Mu, Yuguang

    2013-01-01

    Neuraminidase (NA) of influenza is a key target for antiviral inhibitors, and the 150-cavity in group-1 NA provides new insight in treating this disease. However, NA of 2009 pandemic influenza (09N1) was found lacking this cavity in a crystal structure. To address the issue of flexibility of the 150-loop, Hamiltonian replica exchange molecular dynamics simulations were performed on different groups of NAs. Free energy landscape calculated based on the volume of 150-cavity indicates that 09N1 prefers open forms of 150-loop. The turn A (residues 147-150) of the 150-loop is discovered as the most dynamical motif which induces the inter-conversion of this loop among different conformations. In the turn A, the backbone dynamic of residue 149 is highly related with the shape of 150-loop, thus can function as a marker for the conformation of 150-loop. As a contrast, the closed conformation of 150-loop is more energetically favorable in N2, one of group-2 NAs. The D147-H150 salt bridge is found having no correlation with the conformation of 150-loop. Instead the intimate salt bridge interaction between the 150 and 430 loops in N2 variant contributes the stabilizing factor for the closed form of 150-loop. The clustering analysis elaborates the structural plasticity of the loop. This enhanced sampling simulation provides more information in further structural-based drug discovery on influenza virus.

  1. Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.

    Science.gov (United States)

    Ngo, Son Tung; Hung, Huynh Minh; Truong, Duc Toan; Nguyen, Minh Tho

    2017-01-18

    Amyloid beta (Aβ) oligomers are neurotoxic compounds that destroy the brain of Alzheimer's disease patients. Recent studies indicated that the trimer is one of the most cytotoxic forms of low molecular weight Aβ oligomers. As there was limited information about the structure of the Aβ trimer, either by experiment or by computation, we determined in this work the structure of the 3Aβ11-40 oligomer for the first time using the temperature replica exchange molecular dynamics simulations in the presence of an explicit solvent. More than 20.0 μs of MD simulations were performed. The probability of the β-content and random coil structure of the solvated trimer amounts to 42 ± 6 and 49 ± 7% which is in good agreement with experiments. Intermolecular interactions in central hydrophobic cores play a key role in stabilizing the oligomer. Intermolecular polar contacts between D23 and residues 24-29 replace the salt bridge D23-K28 to secure the loop region. The hydrophilic region of the N-terminus is maintained by the intermolecular polar crossing contacts H13A-Q15B and H13B-Q15C. The difference in the free energy of binding between the constituting monomers and the others amounts to -36 ± 8 kcal mol(-1). The collision cross section of the representative structures of the trimer was computed to be 1330 ± 47 Å(2), which is in good agreement with previous experiments.

  2. Replica-moulded polydimethylsiloxane culture vessel lids attenuate osmotic drift in long-term cell cultures

    Indian Academy of Sciences (India)

    Axel Blau; Tanja Neumann; Christiane Ziegler; Fabio Benfenati

    2009-03-01

    An imbalance in medium osmolarity is a determinant that affects cell culture longevity. Even in humidified incubators, evaporation of water leads to a gradual increase in osmolarity overtime. We present a simple replica-moulding strategy for producing self-sealing lids adaptable to standard, small-size cell-culture vessels. They are made of polydimethylsiloxane (PDMS), a flexible, transparent and biocompatible material, which is gas-permeable but largely impermeable to water. Keeping cell cultures in a humidified 5% CO2 incubator at 37°C, medium osmolarity increased by +6.86 mosmol/kg/day in standard 35 mm Petri dishes, while PDMS lids attenuated its rise by a factor of four to changes of +1.72 mosmol/kg/ day. Depending on the lid membrane thickness, pH drifts at ambient CO2 levels were attenuated by a factor of 4 to 9. Comparative evaporation studies at temperatures below 60°C yielded a 10-fold reduced water vapour flux of 1.75 g/day/dm2 through PDMS lids as compared with 18.69 g/day/dm2 with conventional Petri dishes. Using such PDMS lids, about 2/3 of the cell cultures grew longer than 30 days in vitro. Among these, the average survival time was 69 days with the longest survival being 284 days under otherwise conventional cell culture conditions.

  3. Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

    KAUST Repository

    Buin, Andrei

    2015-06-18

    © 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention at both the experimental and theoretical levels. Much of this work has been dedicated to bulk material studies, yet recent experimental work has shown the formation of highly efficient quantum-confined nanocrystals with tunable band edges. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius of 45 Å that agrees well with literature values. When the quantum dots are stoichiometric, they are trap-free and have nearly symmetric contributions to confinement from the valence and conduction bands. We further show that surface-associated conduction bandedge states in perovskite nanocrystals lie below the bulk states, which could explain the difference in Urbach tails between mesoporous and planar perovskite films. In addition to conventional molecular dynamics (MD), we implement an enhanced phase-space sampling algorithm, replica exchange molecular dynamics (REMD). We find that in simulation of methylammonium orientation and global minima, REMD outperforms conventional MD. To the best of our knowledge, this is the first REMD implementation for realistic-sized systems in the realm of DFT calculations.

  4. Replica Ornstein-Zernike self-consistent theory for mixtures in random pores.

    Science.gov (United States)

    Pellicane, G; Caccamo, C; Wilson, D S; Lee, L L

    2004-06-01

    We present a self-consistent integral equation theory for a binary liquid in equilibrium with a disordered medium, based on the formalism of the replica Ornstein-Zernike (ROZ) equations. Specifically, we derive direct formulas for the chemical potentials and the zero-separation theorems (the latter provide a connection between the chemical potentials and the fluid cavity distribution functions). Next we solve a modified-Verlet closure to ROZ equations, which has built-in parameters that can be adjusted to satisfy the zero-separation theorems. The degree of thermodynamic consistency of the theory is also kept under control. We model the binary fluid in random pores as a symmetrical binary mixture of nonadditive hard spheres in a disordered hard-sphere matrix and consider two different values of the nonadditivity parameter and of the quenched matrix packing fraction, at different mixture concentrations. We compare the theoretical structural properties as obtained through the present approach with Percus-Yevick and Martinov-Sarkisov integral equation theories, and assess both structural and thermodynamic properties by performing canonical standard and biased grand canonical Monte Carlo simulations. Our theory appears superior to the other integral equation schemes here examined and provides reliable estimates of the chemical potentials. This feature should be useful in studying the fluid phase behavior of model adsorbates in random pores in general.

  5. From Dalek half balls to Daft Punk helmets: Mimetic fandom and the crafting of replicas

    Directory of Open Access Journals (Sweden)

    Matt Hills

    2014-06-01

    Full Text Available Mimetic fandom is a surprisingly understudied mode of (culturally masculinized fan activity in which fans research and craft replica props. Mimetic fandom can be considered as (inauthentic and (immaterial, combining noncommercial status with grassroots marketing or brand reinforcement as well as fusing an emphasis on material artifacts with Web 2.0 collective intelligence. Simply analyzing mimetic fandom as part of fannish material culture fails to adequately assess the nonmaterial aspects of this collaborative creativity. Two fan cultures are taken as case studies: Dalek building groups and Daft Punk helmet constructors. These diverse cases indicate that mimetic fandom has a presence and significance that moves across media fandoms and is not restricted to the science fiction, fantasy, and horror followings with which it is most often associated. Mimetic fandom may be theorized as an oscillatory activity that confuses binaries and constructions of (academic/fan authenticity. This fan practice desires and pursues a kind of ontological bridging or unity—from text to reality—that is either absent or less dominant in many other fan activities such as cosplay, screen-used prop collecting, and geographical pilgrimage. Fan studies may benefit from reassessing the place of mimesis, especially in order to theorize fan practices that are less clearly transformative in character.

  6. Replica of human dentin treated with different desensitizing agents: a methodological SEM study in vitro

    Directory of Open Access Journals (Sweden)

    Pereira Jose Carlos

    2002-01-01

    Full Text Available This is a preliminary study to determine a methodological sequence in vitro which may allow the reproduction of dentin for SEM analysis, after the use of different desensitizing agents. Dentin discs obtained from extracted human third molars were etched with 6% citric acid, an artificial smear layer was created and the surface dentin discs were divided into four quadrants. Quadrants 2, 3 and 4 of each disc were conditioned with 6% citric acid. The desensitizing agents (Oxa-Gel®, Gluma Desensitizer and an experimental agent were applied to quadrants 3 and 4. To evaluate the acid resistance of the treatment, quadrant 4 was etched again with 6% citric acid. An impression was then taken with Aquasil ULV. After a setting period of 6 min, each disc was removed from the impression and stored in a moist-free environment for 24 h at 37ºC. After that time, a low-viscosity epoxy resin (Araltec GY 1109 BR was poured into the impression and cured for 24 h. All specimens were metal-coated for SEM analysis. Comparison of the photomicrographs of dentin discs with their respective impressions and resin replicas showed that this technique can reproduce the characteristics of the dentin surface treated with desensitizing agents.

  7. Hydrogel Inverse Replicas of Breath Figures Exhibit Superoleophobicity Due to Patterned Surface Roughness.

    Science.gov (United States)

    Arora, Jaspreet Singh; Cremaldi, Joseph C; Holleran, Mary Kathleen; Ponnusamy, Thiruselvam; He, Jibao; Pesika, Noshir S; John, Vijay T

    2016-02-02

    The wetting behavior of a surface depends on both its surface chemistry and the characteristics of surface morphology and topography. Adding structure to a flat hydrophobic or oleophobic surface increases the effective contact angle and thus the hydrophobicity or oleophobicity of the surface, as exemplified by the lotus leaf analogy. We describe a simple strategy to introduce micropatterned roughness on surfaces of soft materials, utilizing the template of hexagonally packed pores of breath figures as molds. The generated inverse replicas represent micron scale patterned beadlike protrusions on hydrogel surfaces. This added roughness imparts superoleophobic properties (contact angle of the order of 150° and greater) to an inherently oleophobic flat hydrogel surface, when submerged. The introduced pattern on the hydrogel surface changes morphology as it swells in water to resemble morphologies remarkably analogous to the compound eye. Analysis of the wetting behavior using the Cassie-Baxter approximation leads to estimation of the contact angle in the superoleophobic regime and in agreement with the experimental value.

  8. Is Fitts' law continuous in discrete aiming?

    Directory of Open Access Journals (Sweden)

    Rita Sleimen-Malkoun

    Full Text Available The lawful continuous linear relation between movement time and task difficulty (i.e., index of difficulty; ID in a goal-directed rapid aiming task (Fitts' law has been recently challenged in reciprocal performance. Specifically, a discontinuity was observed at critical ID and was attributed to a transition between two distinct dynamic regimes that occurs with increasing difficulty. In the present paper, we show that such a discontinuity is also present in discrete aiming when ID is manipulated via target width (experiment 1 but not via target distance (experiment 2. Fitts' law's discontinuity appears, therefore, to be a suitable indicator of the underlying functional adaptations of the neuro-muscular-skeletal system to task properties/requirements, independently of reciprocal or discrete nature of the task. These findings open new perspectives to the study of dynamic regimes involved in discrete aiming and sensori-motor mechanisms underlying the speed-accuracy trade-off.

  9. Herc SAR Task 106: AIMS Feature Development

    Science.gov (United States)

    2007-03-01

    prédécesseurs grâce à l’intégration de quatre capteurs dans un seul cardan. Pour offrir un rendement optimal, le système AIMS exige une interface et...qui simule l’utilisation et la commande de l’interface de capteur aéroporté a été élaborée par Recherche et Développement pour la défense Canada...système AIMS et de systèmes d’imagerie électro- optique semblables. Résulats Plusieurs importantes caractéristiques du système de simulation AIMS

  10. Aims and harvest of moral case deliberation.

    Science.gov (United States)

    Weidema, Froukje C; Molewijk, Bert A C; Kamsteeg, Frans; Widdershoven, Guy A M

    2013-09-01

    Deliberative ways of dealing with ethical issues in health care are expanding. Moral case deliberation is an example, providing group-wise, structured reflection on dilemmas from practice. Although moral case deliberation is well described in literature, aims and results of moral case deliberation sessions are unknown. This research shows (a) why managers introduce moral case deliberation and (b) what moral case deliberation participants experience as moral case deliberation results. A responsive evaluation was conducted, explicating moral case deliberation experiences by analysing aims (N = 78) and harvest (N = 255). A naturalistic data collection included interviews with managers and evaluation questionnaires of moral case deliberation participants (nurses). From the analysis, moral case deliberation appeals for cooperation, team bonding, critical attitude towards routines and nurses' empowerment. Differences are that managers aim to foster identity of the nursing profession, whereas nurses emphasize learning processes and understanding perspectives. We conclude that moral case deliberation influences team cooperation that cannot be controlled with traditional management tools, but requires time and dialogue. Exchanging aims and harvest between manager and team could result in co-creating (moral) practice in which improvements for daily cooperation result from bringing together perspectives of managers and team members.

  11. PRAGUE SEMINAR ON LANGUAGE TEACHING AIMS, 1967.

    Science.gov (United States)

    FRIED, VILEM

    AN INTERNATIONAL SEMINAR, WHOSE PURPOSE IT WAS TO DISCUSS THE STRUCTURAL DIFFERENCES IN LANGUAGE TEACHING AIMS, IS REPORTED ON IN THIS ARTICLE. THE THREE PAPERS PRESENTED BY IVAN POLDAUF, VALENTINA ZETLINA, AND JOHN B. CARROLL ARE REVIEWED FOR THEIR DISCUSSIONS ON LINGUISTICS, DIDACTICS, AND PSYCHOLOGY. THE DISCUSSION FOLLOWING THE PRESENTATION OF…

  12. Character as the Aim of Education

    Science.gov (United States)

    Shields, David Light

    2011-01-01

    The aim of education should be developing intellectual character, moral character, civic character, and performance character. That does not mean that schools should ignore teaching content, but that the dispositions and habits of mind that come from developing these four forms of character will remain with students throughout their lives.…

  13. Teacher Research and the Aims of Education

    Science.gov (United States)

    Leeman, Yvonne; Wardekker, Willem

    2014-01-01

    We report on the development of a course for experienced teachers in the Netherlands, intended to enhance their professionalism by engaging them in doing research based on reflection on the aims of their educational efforts. The course was accompanied by design-based research. The research question was whether and how the course stimulated…

  14. AIM: Ames Imaging Module Spacecraft Camera

    Science.gov (United States)

    Thompson, Sarah

    2015-01-01

    The AIM camera is a small, lightweight, low power, low cost imaging system developed at NASA Ames. Though it has imaging capabilities similar to those of $1M plus spacecraft cameras, it does so on a fraction of the mass, power and cost budget.

  15. Expression and biological activity of double replica retrovirus carrier-mediated neurotrophin-3 in olfactory ensheathing cells

    Institute of Scientific and Technical Information of China (English)

    Shougang Guo; Yifeng Du; Feng Jin; Minzhong Wang

    2009-01-01

    BACKGROUND: Previous studies have demonstrated that the combination of olfactory ensheathing cells (OECs) and neurotrophic factor-3 (NT-3) in the rat lateral ventricle can promote nerve axonal regeneration and myelin sheath repair. However, this effect remains very short-lived.OBJECTIVE: To transfect NT-3 into OECs and to observe the biological activity of OEC-expressing NT-3.DESIGN, TIME AND SETI'ING: This genetic engineering, in vitro experiment was performed in the Provincial Hospital Affiliated to Shandong University between January 2007 and October 2008.MATERIALS: Trizol Reagent kit was purchased from Gibco, USA; reverse transcription kit, NT-3Emax lmmunoAssay System reagent was purchased from Promega, USA.METHODS: Neonatal Wistar rat OECs were established as primary cultures and were transfected with pN2A-NT-3 viral vector. The OECs with the highest virus titer and stable cellular growth served as the transfection group; OECs transfected with NT-3-free retrovirus carrier pN2A served as theempty vector group; un-transfected OECs served as the control group. After adherence, the logarithmically cultured PC12-TrkC cells were plated in OECs supernatant from the transfectJon and empty vector groups, as well as 20 μL PBS, and cultured for 4 days.MAIN OUTCOME MEASURES: NT-3 mRNA expression in OECs, fluorescence of NT-3-positivecells in the transfection group and control group; influence of OECs secreting NT-3 on the differentiation ratio of PC12-TrkC cells.RESULTS: NT-3 mRNA expression was observed 24 hours after transfeotion and lasted for 28 days,which was greater than the control and empty vector groups (P<0.01). A large number ofNT-3-positive cells were observed in the transfection group, and immunofluorescence was greaterthan the control and empty vector groups. PC12-TrkC cells co-cultured with OECs from thetransfection group exhibited a thick and long cell process, increased cell density, and thedifferentiation ratio was increased (P < 0.01).CONCLUSION

  16. Advanced Industrial Materials (AIM) fellowship program

    Energy Technology Data Exchange (ETDEWEB)

    McCleary, D.D. [Oak Ridge Institute for Science and Education, TN (United States)

    1997-04-01

    The Advanced Industrial Materials (AIM) Program administers a Graduate Fellowship Program focused toward helping students who are currently under represented in the nation`s pool of scientists and engineers, enter and complete advanced degree programs. The objectives of the program are to: (1) establish and maintain cooperative linkages between DOE and professors at universities with graduate programs leading toward degrees or with degree options in Materials Science, Materials Engineering, Metallurgical Engineering, and Ceramic Engineering, the disciplines most closely related to the AIM Program at Oak Ridge National Laboratory (ORNL); (2) strengthen the capabilities and increase the level of participation of currently under represented groups in master`s degree programs, and (3) offer graduate students an opportunity for practical research experience related to their thesis topic through the three-month research assignment or practicum at ORNL. The program is administered by the Oak Ridge Institute for Science and Education (ORISE).

  17. Tapping, grasping and aiming in ideomotor apraxia.

    Science.gov (United States)

    Ietswaart, Magdalena; Carey, David P; Della Sala, Sergio

    2006-01-01

    Very few studies have investigated sensorimotor control in apraxia using tasks that differ in movement complexity. Nevertheless, there is some evidence to suggest that spontaneous behaviour, although relatively preserved, can be rather clumsy or awkward, and that patients with ideomotor apraxia may have subtle kinematic abnormalities in movements made in the laboratory. It remains unclear whether patients with ideomotor apraxia perform normally on movements such as visually guided aiming, that may not depend on higher-order, more cognitive, processes and that are relatively unguided by overlearned contexts. In this study, three different sensorimotor tasks were given to the same sample of patients with quantified apraxic disturbance. Finger tapping, goal-directed grasping and aiming with and without visual feedback were examined in these patients. A clear dissociation was found between grossly impaired gesture imitation and intact motor programming of goal-directed movements with visual feedback. Apraxic patients were, however, impaired on aiming movements without visual feedback, suggesting that apraxia is associated with an increased reliance on integration of online visual information with feedforward/feedback somatosensory and motor signals. Furthermore, patients were impaired on single finger tapping which was a surprisingly good predictor of apraxia severity.

  18. Aeronomy of Ice in the Mesosphere (AIM)

    Science.gov (United States)

    2003-01-01

    The overall goal of the Aeronomy of Ice in the Mesosphere (AIM) experiment is to resolve why Polar Mesospheric Clouds form and why they vary. By measuring PMCs and the thermal, chemical and dynamical environment in which they form, we will quanti@ the connection between these clouds and the meteorology of the polar mesosphere. In the end, this will provide the basis for study of long-term variability in the mesospheric climate and its relationship to global change. The results of AIM will be a rigorous validation of predictive models that can reliably use past PMC changes and present trends as indicators of global change. The AIM goal will be achieved by measuring PMC extinction, brightness, spatial distribution, particle size distributions, gravity wave activity, dust influx to the atmosphere and precise, vertical profile measurements of temperature, H20, C&, 0 3 , C02, NO. and aerosols. These data can only be obtained by a complement of instruments on an orbiting spacecraft (S/C).

  19. On the origin of the shallow and "replica" bands in FeSe monolayer superconductors

    Science.gov (United States)

    Nekrasov, I. A.; Pavlov, N. S.; Sadovskii, M. V.

    2017-03-01

    We compare the electronic structures of single FeSe layer films on SrTiO3 substrate (FeSe/STO) and K x Fe2- y Se2 superconductors obtained from extensive LDA and LDA + DMFT calculations with the results of ARPES experiments. It is demonstrated that correlation effects on Fe-3d states are sufficient in principle to explain the formation of the shallow electron-like bands at the M(X)-point. However, in FeSe/STO these effects alone are apparently insufficient for the simultaneous elimination of the hole-like Fermi surface around the Γ-point which is not observed in ARPES experiments. Detailed comparison of ARPES detected and calculated quasiparticle bands shows reasonable agreement between theory and experiment. Analysis of the bands with respect to their origin and orbital composition shows, that for FeSe/STO system the experimentally observed "replica" quasiparticle band at the M-point (usually attributed to forward scattering interactions with optical phonons in SrTiO3 substrate) can be reasonably understood just as the LDA calculated Fe-3d xy band, renormalized by electronic correlations. The only manifestation of the substrate reduces to lifting the degeneracy between Fe-3d xz and Fe-3d yz bands near M-point. For the case of K x Fe2- y Se2 most bands observed in ARPES can also be understood as correlation renormalized Fe-3d LDA calculated bands, with overall semi-quantitative agreement with LDA + DMFT calculations.

  20. FTIR study of ageing of fast drying oil colour (FDOC) alkyd paint replicas

    Science.gov (United States)

    Duce, Celia; Della Porta, Valentina; Tiné, Maria Rosaria; Spepi, Alessio; Ghezzi, Lisa; Colombini, Maria Perla; Bramanti, Emilia

    2014-09-01

    We propose ATR-FTIR spectroscopy for the characterization of the spectral changes in alkyd resin from the Griffin Alkyd Fast Drying Oil Colour range (Winsor & Newton), occurring over 550 days (∼18 months) of natural ageing and over six months of artificial ageing under an acetic acid atmosphere. Acetic acid is one of the atmospheric pollutants found inside museums in concentrations that can have a significant effect on the works exhibited. During natural ageing we observed an increase and broadening of the OH group band around 3300 cm-1 and an increase in bands in the region 1730-1680 cm-1 due to carbonyl stretching. We found a broad band around 1635 cm-1 likely due to Cdbnd O stretching vibrations of β dichetons. These spectral changes are the result of autooxidation reactions during natural ageing and crosslinking, which then form f alcohols and carbonyl species. The increase in absorbance at 1635 cm-1 was selected as a parameter to monitor the ageing process of paintings prepared with FDOC, without the need for any extractive procedure. FTIR spectra of paint replicas kept under an acetic acid atmosphere indicated the chemical groups involved in the reaction with acid, thus suggesting which spectral FTIR regions could be investigated in order to follow any degradation in real paintings. A red paint sample from a hyper-realistic artwork (“Racconta storie”, 2003) by the Italian painter Patrizia Zara was investigated by FTIR in order to evaluate the effects of 10 years natural ageing on alkyd colours. The results obtained suggested that after the end of chemical drying (autooxidation), alkyd colours are very stable.

  1. Multilevel interventions aimed at adult obesity prevention

    DEFF Research Database (Denmark)

    Benwell, Ann Fenger

    2014-01-01

    A growing body of literature emphasizes the importance of using both quantitative and qualitative methods to investigate the wide range of aspects which hinder or promote the success of health interventions. The pilot phase of this study highlights how mixed-method approaches can be strengthened ...... to investigate factors associated with multi-level obesity prevention....

  2. Evaluation and cultural adaptation of a German version of the AIMS2-SF questionnaire (German AIMS2-SF).

    NARCIS (Netherlands)

    Rosemann, T.J.; Korner, T.; Wensing, M.J.P.; Schneider, A.; Szecsenyi, J.

    2005-01-01

    OBJECTIVES: The aim of the study was to examine the validity of a translated and culturally adapted version of the Arthritis Impact Measurement Scales 2, Short Form (AIMS2-SF) in patients suffering from osteoarthritis (OA) in primary care. METHODS: A structured procedure was used for the translation

  3. Evaluation and cultural adaptation of a German version of the AIMS2-SF questionnaire (German AIMS2-SF).

    NARCIS (Netherlands)

    Rosemann, T.J.; Korner, T.; Wensing, M.J.P.; Schneider, A.; Szecsenyi, J.

    2005-01-01

    OBJECTIVES: The aim of the study was to examine the validity of a translated and culturally adapted version of the Arthritis Impact Measurement Scales 2, Short Form (AIMS2-SF) in patients suffering from osteoarthritis (OA) in primary care. METHODS: A structured procedure was used for the translation

  4. AIM cryocooler developments for HOT detectors

    Science.gov (United States)

    Rühlich, I.; Mai, M.; Withopf, A.; Rosenhagen, C.

    2014-06-01

    Significantly increased FPA temperatures for both Mid Wave and Long Wave IR detectors, i.e. HOT detectors, which have been developed in recent years are now leaving the development phase and are entering real application. HOT detectors allowing to push size weight and power (SWaP) of Integrated Detectors Cooler Assemblies (IDCA's) to a new level. Key component mainly driving achievable weight, volume and power consumption is the cryocooler. AIM cryocooler developments are focused on compact, lightweight linear cryocoolers driven by compact and high efficient digital cooler drive electronics (DCE) to also achieve highest MTTF targets. This technology is using moving magnet driving mechanisms and dual or single piston compressors. Whereas SX030 which was presented at SPIE in 2012 consuming less 3 WDC to operate a typical IDCA at 140K, next smaller cooler SX020 is designed to provide sufficient cooling power at detector temperature above 160K. The cooler weight of less than 200g and a total compressor length of 60mm makes it an ideal solution for all applications with limited weight and power budget, like in handheld applications. For operating a typical 640x512, 15μm MW IR detector the power consumption will be less than 1.5WDC. MTTF for the cooler will be in excess of 30,000h and thus achieving low maintenance cost also in 24/7 applications. The SX020 compressor is based on a single piston design with integrated passive balancer in a new design achieves very low exported vibration in the order of 100mN in the compressor axis. AIM is using a modular approach, allowing the chose between 5 different compressor types for one common Stirling expander. The 6mm expander with a total length of 74mm is now available in a new design that fits into standard dewar bores originally designed for rotary coolers. Also available is a 9mm coldfinger in both versions. In development is an ultra-short expander with around 35mm total length to achieve highest compactness. Technical

  5. Leaf Histology--Two Modern Methods.

    Science.gov (United States)

    Freeman, H. E.

    1984-01-01

    Two methods for examining leaf structure are presented; both methods involve use of "superglue." The first method uses the glue to form a thin, permanent, direct replica of a leaf surface on a microscope slide. The second method uses the glue to examine the three-dimensional structure of spongy mesophyll. (JN)

  6. Insect food aiming at Mars emigration

    Science.gov (United States)

    Katayama, Naomi; Yamashita, Masamichi; Hashimoto, Hirofumi; Nagasaka, Sanako; Kuwayama, Akemi; Sofue, Megumi

    2012-07-01

    We study insect food aiming at Mars emigration.In space agriculture, insect is the important creature which we cannot miss.It is necessary for the pollination of the plant, and it is rich to protein and lipid as food.I reported that silkworm is an insect necessary for astroponics in particular last time.We make clothes using silk thread, and the pupa becomes the food.In addition, the clothes can make food as protein when we need not to use it. The bee is a very important insect in the space agriculture,too.We examined nutrition of silkworm, bee, grasshopper, snail and the white ant which are necessary for Mars emigration.We will introduce of good balance space foods.We will report many meal menu for Mars emigration.

  7. The aims and accomplishments of comparative psychology.

    Science.gov (United States)

    Lickliter, Robert

    2004-01-01

    Greenberg, Partridge, Weiss, and Pisula propose a new perspective of comparative psychology, based in large part on an anagenetic and dynamic systems approach to the development and evolution of behavior. Their view appreciates the probabilistic nature of behavioral development and promotes the value of an integrative levels concept for generating testable hypothesis regarding the complex relationship between biology, context, and developmental history underlying behavioral and psychological functioning. However, the authors fail to represent the full scope of contemporary comparative psychology by overlooking several core aims of the field, including (a) the use of animal models to shed light on human behavior and development and (b) understanding the role of behavior as a leading edge in the evolutionary process.

  8. Effect of cross sectional geometry on PDMS micro peristaltic pump performance: comparison of SU-8 replica molding vs. micro injection molding.

    Science.gov (United States)

    Graf, Neil J; Bowser, Michael T

    2013-10-07

    Two different fabrication methods were employed to fabricate micropumps with different cross-sectional channel geometries. The first was to fabricate rectangular cross-sectional microchannel geometries using the well known fabrication method of replica molding (REM). The second, and far less utilized fabrication technique, was to create microchannel molds using an in-house fabricated handheld micro injection molding apparatus. The injection mold apparatus was designed for use with elastomeric room temperature vulcanization (RTV) polymers, as opposed to most other injection molding machines, which are designed for use with thermoplastic polymers. The injection mold's bottom plate was used as a microchannel molding template. The molding template was created by threading a small-diameter wire (150 μm or less) through the injection mold's bottom plate, with subsequent adhesion and smoothing of a thin piece of aluminum foil over the wire-raised injection mold template. When molded against, the template produced a rounded/Gaussian-shaped PDMS microchannel. The design of the injection mold will be presented, along with a direct comparison for micropump performance metrics such as flow rate, valving characteristics, and maximum backpressures attainable for each of the respective micropump channel geometries.

  9. Small is beautiful but smaller is the aim: Review of a life of research

    Directory of Open Access Journals (Sweden)

    Curtis A. S. G.

    2004-10-01

    Full Text Available Background and origins of research of Adam Curtis. One persisting theme has been the pursuit of different landscapes at different scales to discover the routes to explain how the body is built. His research life fell in a fortunate period during which techniques and concepts for investigating structure have improved year by year. His most fortunate encounter was with Michael Abercrombie and his views on the social behaviour of cells, aims for quantitation, and statistical testing. Adam worked in various environments - in turn Geology as an undergraduate, Biophysics Ph.D. in a Genetics department and various departments in turn from anatomy via zoology to Cell Biology. Adam started his Ph.D. work in cell adhesion, studying cell movement, trapping and reaggregation phenomena, having an early start from the physico-chemical viewpoint. He made quantitative measurements of cell adhesion by kinetic methods. Interference reflection microscopy (IRM and related optical interference techniques were brought into the field of biology by him. In turn this led with Chris Wilkinson, a long term colleague, to the use of micro- and nanofabrication for biological research. Polscope and photoelastic measurements were introduced to biology recently in his laboratory. One long term theme has been to map the adhesion of cells to substrates to discover contact areas. Early data came from IRM and then TIRF (Total Internal Reflection Fluorescence Microscopy and then from Forster Resonance Energy Microscopy (FRET. Another important theme was the time scale that needed to be measured - very short indeed in suspension. This was very difficult and has only become possible very recently but hydrodynamic calculation shows it must be very short. The attractions of the Derjagin-Landau-Verwey-Overbeek theory (DLVO theory are that they explain many features of biological adhesion. The main test of this theory depends upon the energy of the adhesion at various different separation

  10. The Cosmic Dust Experiment of AIM

    Science.gov (United States)

    Poppe, A.; James, D.; Horanyi, M.

    2008-12-01

    The Cosmic Dust Experiment (CDE) onboard the Aeronomy of Ice in the Mesosphere (AIM) mission is a dust impact experiment designed to monitor the variability of the cosmic dust in ux. The instrument consists of fourteen permanently polarized thin plastic film sensors that generate an electrical signal when an impacting dust particle penetrates them. The total surface area is about 0.1 square meters and the detection threshold is about a micron in particle radius. The variability of these small grains is assumed to follow the variability of the dominant 100 micron radius particles, hence the measured flux can be used in correlation studies with various Noctilucent Cloud (NLC) activity indexes. CDE has been observing the cosmic dust influx since June 2007. In this talk, we present the first nine months of reduced data, focusing on the observed temporal and spatial variability of the dust influx. Data collected after February 2008 show increased levels of background noise and preliminary work on reducing this data will also be presented.

  11. Taking aim at novel vaccines market.

    Science.gov (United States)

    Awasthi, Sita

    2009-10-01

    The World Vaccine Congress Washington 2009 was held in Chantilly, VA USA April 2O -23rd. The Vaccine congress attracted over 400 participants from across the world, including leading vaccine manufacturers, biotechs, governmental agencies, NGOs, research and academic institutes, venture capital and legal firms, contract service and equipment manufacturers. The speakers covered a wide range of topics, including the role of government and regulatory agencies, funding availability, research and development, manufacturing, packaging and post vaccine evaluations. Past vaccine development efforts have historically focused on infectious diseases. With advancements in the field of immunology, molecular biology and vaccinology, the vaccine field has begun moving in new directions. "Taking aim at novel vaccines market" session chaired by Dr. Una Ryan, Chief Executive Officer of Waltham Technologies, was focused on traditional approaches to novel targets (nosocomial infections), novel approaches to traditional targets (flu and rabies), novel approaches to novel targets (Type 1 diabetes, multiple sclerosis and smoking) and vaccines for developing markets (TB, malaria, rabies). The importance of collaborations among academic institutions, industries, and philanthropic foundations for developing markets was also emphasized.

  12. Replicon modes and stability of critical behaviour of disordered systems with respect to the continuous replica symmetry breaking

    Science.gov (United States)

    Fedorenko, A. A.

    2003-02-01

    A field-theory approach is used to investigate the 'spin-glass effects' on the critical behaviour of systems with weak temperature-like quenched disorder. The renormalization group (RG) analysis of the effective Hamiltonian of a model with replica symmetry breaking (RSB) potentials of a general type is carried out in the two-loop approximation. The fixed point (FP) stability, recently found within the one-step RSB RG treatment, is further explored in terms of replicon eigenvalues. We find that the traditional FPs, which are usually considered to describe the disorder-induced universal critical behaviour, remain stable when the continuous RSB modes are taken into account.

  13. Prediction of localized aerosol deposition in a realistic replica of human airways using experimental data and numerical simulation

    Science.gov (United States)

    Lizal, Frantisek; Elcner, Jakub; Belka, Miloslav; Jedelsky, Jan; Jicha, Miroslav

    2016-11-01

    The presence of aerosol deposition hot-spots in human airways presumably contributes to development of various diseases. The overall aerosol deposition in human lungs can be predicted with sufficient accuracy nowadays. However, the prediction of localized aerosol deposition poses arduous challenge, namely in diseased lungs. Numerical simulation is considered to be a promising tool for the successful prediction. Yet, the validation of such simulations is difficult to perform, as not enough experimental data acquired using realistic airway replicas is available. This paper presents a first comparison of localized deposition measurement and simulation performed on the identical realistic geometry. The analysis indicates that both approaches yield similar results for low Reynolds number flows.

  14. Evidence of a one-step replica symmetry breaking in a three-dimensional Potts glass model.

    Science.gov (United States)

    Takahashi, Takashi; Hukushima, Koji

    2015-02-01

    We study a seven-state Potts glass model in three dimensions with first-, second-, and third-nearest-neighbor interactions with a bimodal distribution of couplings by Monte Carlo simulations. Our results show the existence of a spin-glass transition at a finite temperature T(c), a discontinuous jump of an order parameter at T(c) without latent heat, and a nontrivial structure in the order parameter distribution below T(c). They are compatible with one-step replica symmetry breaking.

  15. Short-range Ising spin glasses: The metastate interpretation of replica symmetry breaking

    Science.gov (United States)

    Read, N.

    2014-09-01

    Parisi's formal replica-symmetry-breaking (RSB) scheme for mean-field spin glasses has long been interpreted in terms of many pure states organized ultrametrically. However, the early version of this interpretation, as applied to the short-range Edwards-Anderson model, runs into problems because as shown by Newman and Stein (NS) it does not allow for chaotic size dependence, and predicts non-self-averaging that cannot occur. NS proposed the concept of the metastate (a probability distribution over infinite-size Gibbs states in a given sample that captures the effects of chaotic size dependence) and a nonstandard interpretation of the RSB results in which the metastate is nontrivial and is responsible for what was called non-self-averaging. In this picture, each state drawn from the metastate has the ultrametric properties of the old theory, but when the state is averaged using the metastate, the resulting mixed state has little structure. This picture was constructed so as to agree both with the earlier RSB results and with rigorous results. Here we use the effective field theory of RSB, in conjunction with the rigorous definitions of pure states and the metastate in infinite-size systems, to show that the nonstandard picture follows directly from the RSB mean-field theory. In addition, the metastate-averaged state possesses power-law correlations throughout the low-temperature phase; the corresponding exponent ζ takes the value 4 according to the field theory in high dimensions d, and describes the effective fractal dimension of clusters of spins. Further, the logarithm of the number of pure states in the decomposition of the metastate-averaged state that can be distinguished if only correlations in a window of size W can be observed is of order Wd -ζ. These results extend the nonstandard picture quantitatively; we show that arguments against this scenario are inconclusive. More generally, in terms of Parisi's function q (x), if q(0)≠∫01dxq(x ), then the

  16. Structure and thermodynamics of amylin dimer studied by Hamiltonian-temperature replica exchange molecular dynamics simulations.

    Science.gov (United States)

    Laghaei, Rozita; Mousseau, Normand; Wei, Guanghong

    2011-03-31

    The loss of the insulin-producing β-cells in the pancreatic islets of Langerhans, responsible for type-II diabetes, is associated with islet amyloid deposits. The main component of these deposits is the amyloid fibrils formed by the 37-residue human islet amyloid polypeptide (hIAPP also known as amylin). Although the fibrils are well characterized by cross β structure, the structure of the transient oligomers formed in the early stage of aggregation remains elusive. In this study, we apply the Hamiltonian-temperature replica exchange molecular dynamics to characterize the structure and thermodynamics of a full-length hIAPP dimer in both the presence and the absence of the Cys2-Cys7 disulfide bond. We compare these results with those obtained on the monomeric and dimeric forms of rat IAPP (rIAPP) with a disulfide bridge which differ from the hIAPP by 6 amino acids in the C-terminal region, but it is unable to form fibrils. Using a coarse-grained protein force field (OPEP-the Optimized Potential for Efficient peptide structure Prediction) running for a total of 10-28 μs per system studied, we show that sequences sample α-helical structure in the N-terminal region but that the length of this secondary element is shorter and less stable for the chains without the disulfide bridge (residues 5-16 for hIAPP with the bridge vs 10-16 for hIAPP without the bridge). This α-helix is known to be an important transient stage in the formation of oligomers. In the C-terminal, the amyloidogenic region of hIAPP, β-strands are seen for residues 17-26 and 30-35. On the contrary, no significant β-sheet content in the C-terminal is observed for either the monomeric or the dimeric rIAPP. These numerical results are fully consistent with recent experimental findings that the N-terminal residues are not part of the fibril by forming α-helical structure but rather play a significant role in stabilizing the amyloidogenic region available for the fibrillation.

  17. AIM-9X Block II Sidewinder (AIM-9X Blk II)

    Science.gov (United States)

    2015-12-01

    Executive Summary The AIM-9X Block II missile completed Initial Operational Test and Evaluation ( IOT &E) in March 2015 and was found to be...carried. The AIM -9X Block II missile shall be compatible with representative threshold hose aircraft weapon and sensor load-outs with regard to

  18. TRIM11 Suppresses AIM2 Inflammasome by Degrading AIM2 via p62-Dependent Selective Autophagy

    Directory of Open Access Journals (Sweden)

    Tao Liu

    2016-08-01

    Full Text Available The AIM2 inflammasome is a key cytosolic signaling complex that is activated by double-stranded DNA, leading to the maturation of proinflammatory cytokines such as interleukin-1β (IL-1β and IL-18. Dysregulated AIM2 inflammasome activity is associated with human inflammatory diseases and cancers, suggesting that its activity must be tightly regulated. However, the precise molecular mechanisms that control AIM2 levels and activity are still poorly understood. Here, we report tripartite motif 11 (TRIM11 as a key negative regulator of the AIM2 inflammasome. Upon DNA virus infection, TRIM11 binds to AIM2 via its PS domain and undergoes auto-polyubiquitination at K458 to promote an association between TRIM11 and the autophagic cargo receptor p62 to mediate AIM2 degradation via selective autophagy. These findings identify a role for TRIMs in AIM2 inflammasome activation where TRIM11 acts as a secondary receptor to deliver AIM2 to the autophagosomes for degradation in a p62-dependent manner.

  19. A 10-bit 250 MSPS charge-domain pipelined ADC with replica controlled PVT insensitive BCT circuit

    Science.gov (United States)

    Songren, Huang; Hong, Zhang; Zhenhai, Chen; Shuang, Zhu; Zongguang, Yu; Hongwen, Qian; Yue, Hao

    2015-05-01

    A low power 10-bit 250 MSPS charge-domain (CD) pipelined analog-to-digital converter (ADC) is introduced. The ADC is implemented in MOS bucket-brigade devices (BBDs) based CD pipelined architecture. A replica controlled boosted charge transfer (BCT) circuit is introduced to reject the influence of PVT variations on the charge transfer process. Based on replica controlled BCT, the CD pipelined ADC is designed and realized in a 1P6M 0.18 μm CMOS process. The ADC achieves an SFDR of 64.4 dB, an SNDR of 56.9 dB and an ENOB of 9.2 for a 9.9 MHz input; and an SFDR of 63.1 dB, an SNR of 55.2 dB, an SNDR of 54.5 dB and an ENOB of 8.7 for a 220.5 MHz input at full sampling rate. The DNL is +0.5/ -0.55 LSB and INL is +0.8/ -0.85 LSB. The power consumption of the prototype ADC is only 45 mW at 1.8 V supply and it occupies an active die area of 1.56 mm2. Project supported by the National Natural Science Foundation of China (No. 61106027).

  20. Número de replicações de inquéritos dietéticos para estimativa da ingestão de nutrientes em gestantes brasileiras

    Directory of Open Access Journals (Sweden)

    Daniela Saes Sartorelli

    2014-12-01

    Full Text Available Objetivos: determinar o número de replicações de inquéritos dietéticos necessários para estimar a ingestão usual de nutrientes e em categorias de consumo de gestantes no Brasil. Métodos: estudo prospectivo conduzido entre 82 gestantes, no qual as informações sobre energia e 18 nutrientes foram obtidas em três inquéritos recordatórios de 24 horas, sendo um em cada trimestre gestacional. Empregaram-se diferentes fórmulas para o cálculo do número de replicações do método necessárias para classificar as gestantes em categorias de ingestão, que considera a razão das variâncias intrapessoal/interpessoal, e para a estimativa da ingestão usual, baseado na variância intrapessoal. Resultados: para classificar as gestantes em categorias são necessárias entre 11 e 51 replicações do método, considerando-se coeficiente de correlação de 0,9. Admitindo coeficiente de correlação de 0,7, o número de replicações do método variou entre quatro e 19. Para a estimativa da ingestão usual são necessárias entre duas e 33 replicações, admitindo-se um erro de 10%. Considerando-se um erro de 20%, são necessárias entre uma e sete replicações de inquéritos dietéticos. Conclusões: é necessário um elevado número de replicações de inquéritos dietéticos na estimativa da ingestão de nutrientes na gestação e o emprego de um número reduzido de replicações poderá atenuar as associações entre a dieta e desfechos de saúde maternos e fetais.

  1. Synthesis, Crystal Structure, Thermal Decomposition and Sensitivity Properties of (AIM)(HTNR) and (AIM)(PA)

    Institute of Scientific and Technical Information of China (English)

    TANG Zhan; YANG Li; QIAO Xiao-jing; WU Bi-dong; ZHANG Tong-lai; ZHOU Zun-ning; YU Kai-bei

    2012-01-01

    Two new energetic compounds (AIM)(HTNR) and (AIM)(PA)(AIM=2-azidoimidazole,TNR=2,4,6-trinitroresorcinol,PA=picric acid) have been prepared by AIM(2-azidoimidazolium) and TNR(2,4,6-trinitroresorcinol) or PA(picric acid) and characterized by elemental analysis and FTIR spectrum.Their crystal structures were determined by X-ray single-crystal diffraction analysis.The obtained results show that (AIM)(HTNR) crystal belongs to monoclinic,P2(1)/c space group,a=1.1306(2) nm,b=0.70305(14) nm,c=1.7398(4) nm,β=106.91°,V=1.3231(5) nm3,Dc=1.778 g/cm3,Z=4,R1=0.0524,wR2[I>2σ(I)]=0.1067 and S=1.092 and (AIM)(PA) crystal belongs to monoclinic P21/c space group,a=0.80303(16) nm,b=0.81395(16) nm,c=2.0471(4) nm,β=93.93(3)°,V=1.3349(5) nm3,Dc=1.683g/cm3,Z=4,R1=0.0784,wR2[I>2σ(I)]=0.1814 and S=1.098.Both the compounds have electrostatic attraction and hydrogen bonds,which contribute to making the constructions more stable.The decomposition of the two compounds was studied via differential scanning calorimetry(DSC) and thermogravimetry-derivative thermogravimetry(TG-DTG)techniques at a heating rate of 10 ℃/min,and the results show that both the compounds underwent one intensive exothermic decomposition stage.Sensitivity tests reveal that the title compounds were insensitive to friction and impact and sensitive to flame and could be applied in potential pyrotechnics.

  2. Expert Systems Aimed at General Design of Projectiles

    Institute of Scientific and Technical Information of China (English)

    YUAN Zhi-hua; HOU Ni-na; HU Yu-hui

    2007-01-01

    Expert systems aimed at the general design of projectiles can implement a series of intelligent designs, such as the design of HE shell, the scheme expounded and proved, the emulation analysis and calculation, etc. Aiming at the product design feature, the expert system adopts the object-oriented knowledge representation and all kinds of inference control engines to describe and reason the relevant knowledge regarding the product through the microcomputer. It embodies the foundation of emulation analysis and simulated manufacturing of the shell. It makes use of the method that knowledge expression is combined with condition of inference to carry out the overall design and emulation and reference.The paper gives the ways through which the functions can be achieved, gives the modularization of reference and the design methods of systematization, puts forward the method of knowledge expression and working interface, and supplies a platform for similar products of the shell category that can be quickly designed.

  3. The AI&M procedure for learning from incomplete data

    DEFF Research Database (Denmark)

    Jaeger, Manfred

    2006-01-01

    We investigate methods for parameter learning from incomplete data that is not missing at random. Likelihood-based methods then require the optimization of a profile likelihood that takes all possible missingness mechanisms into account. Optimizing this profile likelihood poses two main difficult......We investigate methods for parameter learning from incomplete data that is not missing at random. Likelihood-based methods then require the optimization of a profile likelihood that takes all possible missingness mechanisms into account. Optimizing this profile likelihood poses two main...... difficulties: multiple (local) maxima, and its very high-dimensional parameter space. In this paper a new method is presented for optimizing the profile likelihood that addresses the second difficulty: in the proposed AI\\&M (adjusting imputation and maximization) procedure the optimization is performed...... by operations in the space of data completions, rather than directly in the parameter space of the profile likelihood. We apply the AI\\&M method to learning parameters for Bayesian networks. The method is compared against conservative inference, which takes into account each possible data completion...

  4. Replica Plating and Gene Screening Combined to Separate AHBA Synthase Gene Positive Actinomycetes%平板影印与AHBA合成酶基因筛选用于安莎类抗生素产生菌的分离

    Institute of Scientific and Technical Information of China (English)

    徐祯; 徐庆妍; 胡志钰; 郑忠辉; 黄耀坚

    2012-01-01

    基因筛选是筛选具有抗生素产生潜力微生物的新方法.针对筛选中单菌落分离纯化不仅工作量大,而且耗费时间,采用一种将平板影印技术与PCR扩增技术相结合从土壤中快速获得具有安莎类抗生素产生潜力的放线菌的方法.根据安莎类抗生素合成途径中的3-氨基-5-羟基苯甲酸合成酶(AH BAs)基因的保守性,通过放线菌的培养、影印、AH-BAs基因的PCR扩增,已从33份土样中获得8株AHBAs阳性菌株.结果表明:该方法是一种非常有效的能够快速获得AHBAs基因阳性菌株的方法,并且该方法可扩展用于从土壤中分离其他有价值的抗生素产生菌.%Gene mining is a new strategy to discover microbial natural products. However,it is laborious to inoculate and purify tested strains before gene amplification,so gene mining can not be applied to large amounts of samples. Herein,a high throughput method for the gene mining of soil actinomycetes, combining the replica plating technique and PCR amplification was recommended. In the present work,3-amino-5-hydroxybenxoic acid synthase (AHBAs) were used as amplicated gene. Through soil actinomyctes culture, colony replica planting,PCR amplification of AHBAs genes,isolation of positive strains and characterization of fermentation extracts, eight AHBAs positive strains were selected from 33 plants rhizosphere soil samples. The results showed that the replica plating-gene screening combined technique was useful for the rapid selection of ansamycin-producing actinomycetes, and it could be applied to search for producers of other antibiotics in natural soils.

  5. Non-invasive Florentine Renaissance Panel Painting Replica Structures Investigation by Using Terahertz Time-Domain Imaging (THz-TDI) Technique

    DEFF Research Database (Denmark)

    Dandolo, Corinna Ludovica Koch; Picollo, Marcello; Cucci, Costanza

    2016-01-01

    The potentials of the Terahertz Time-Domain Imaging (THz-TDI) technique for a non-invasive inspection of panel paintings have been considered in detail. The THz-TD data acquired on a replica of a panel painting made in imitation of Italian Renaissance panel paintings were processed in order to pr...

  6. The conformational landscape of tartrate-based inhibitors of the TACE enzyme as revealed by Hamiltonian Replica Exchange simulation.

    Science.gov (United States)

    Guardiani, Carlo; Procacci, Piero

    2013-06-21

    The inhibitors of the Tumor Necrosis Factor-α Converting Enzyme represent promising tools for the treatment of Rheumatoid Arthritis, Multiple Sclerosis and other autoimmune diseases. In this work, using Hamiltonian Replica Exchange Molecular Dynamics simulations and atomistic force field we perform an accurate structural characterization of a group of tartrate-based inhibitors. The simulations highlight a correlation between the conformational landscape in bulk solvent and inhibition potency. Since the structures in bulk solvent are much more compact than the crystallographic bound state, we formulate the hypothesis of a two-step docking mechanism: (i) formation of an intermediate between the compact, hydroxyl exposing conformations in solution and the catalytic zinc ion; (ii) structural rearrangement in the active site of TACE of the zinc-tethered drug in the final binding conformation.

  7. Replica symmetry breaking in specially designed TiO$_{2}$ nanoparticles-based dye-colloidal random laser

    CERN Document Server

    Pincheira, Pablo I R; Carreño, Sandra J M; Fewo, Serge I; Moura, André L; Raposo, Ernesto P; Gomes, Anderson S L; de Araújo, Cid B

    2015-01-01

    Replica symmetry breaking (RSB) is a concept inherent to the theory of spin glasses and complex systems, which describes how identical systems prepared under identical initial conditions can reach different states. RSB was predicted and demonstrated, for the first time in any physical system, using random lasers (RLs) operating in the coherent feedback regime. However, attempts to show RSB in RLs operating in the incoherent feedback regime based on colloidal solution of dye and scatterer particles failed. In the present letter, by using specially designed nanoparticles scatterers which prevents photodegradation of the dye, we present clear evidence of RSB in a RL operating in the incoherent feedback regime based on ethanol solution of Rhodamine 6G and amorphous TiO$_{2}$ nanoparticles.

  8. Fabrication of uniform DNA-conjugated hydrogel microparticles via replica molding for facile nucleic acid hybridization assays.

    Science.gov (United States)

    Lewis, Christina L; Choi, Chang-Hyung; Lin, Yan; Lee, Chang-Soo; Yi, Hyunmin

    2010-07-01

    We identify and investigate several critical parameters in the fabrication of single-stranded DNA conjugated poly(ethylene glycol) (PEG) microparticles based on replica molding (RM) for highly uniform and robust nucleic acid hybridization assays. The effects of PEG-diacrylate, probe DNA, and photoinitiator concentrations on the overall fluorescence and target DNA penetration depth upon hybridization are examined. Fluorescence and confocal microscopy results illustrate high conjugation capacity of the probe and target DNA, femtomole sensitivity, and sequence specificity. Combined, these findings demonstrate a significant step toward simple, robust, and scalable procedures to manufacture highly uniform and high-capacity hybridization assay particles in a well-controlled manner by exploiting many advantages that the batch processing-based RM technique offers. We envision that the results presented here may be readily applied to rapid and high-throughput hybridization assays for a wide variety of applications in bioprocess monitoring, food safety, and biological threat detection.

  9. Simulation of AIMS measurements using rigorous mask 3D modeling

    Science.gov (United States)

    Chou, Chih-Shiang; Huang, Hsu-Ting; Chu, Fu-Sheng; Chu, Yuan-Chih; Huang, Wen-Chun; Liu, Ru-Gun; Gau, Tsai-Sheng

    2015-03-01

    Aerial image measurement system (AIMSTM) has been widely used for wafer level inspection of mask defects. Reported inspection flows include die-to-die (D2D) and die-to-database (D2DB) methods. For patterns that do not repeat in another die, only the D2DB approach is applicable. The D2DB method requires accurate simulation of AIMS measurements for a mask pattern. An optical vectorial model is needed to depict the mask diffraction effect in this simulation. To accurately simulate the imaging results, a rigorous electro-magnetic field (EMF) model is essential to correctly take account of the EMF scattering induced by the mask topography, which is usually called the mask 3D effect. In this study, the mask 3D model we use is rigorous coupled-wave analysis (RCWA), which calculates the diffraction fields from a single plane wave incidence. A hybrid Hopkins-Abbe method with RCWA is used to calculate the EMF diffraction at a desired accuracy level while keeping the computation time practical. We will compare the speed of the hybrid Hopkins-Abbe method to the rigorous Abbe method. The matching between simulation and experiment is more challenging for AIMS than CD-SEM because its measurements provide full intensity information. Parameters in the mask 3D model such as film stack thickness or film optical properties, is optimized during the fitting process. We will report the fitting results of AIMS images for twodimensional structures with various pitches. By accurately simulating the AIMS measurements, it provides a necessary tool to perform the mask inspection using the D2DB approach and to accurately predict the mask defects.

  10. 云计算环境下的动态数据副本管理策略%Dynamic data replica management strategy in cloud computing environment

    Institute of Scientific and Technical Information of China (English)

    邓见光; 赵跃龙; 袁华强

    2015-01-01

    Focusing on the frequent single point of failure in cloud computer system ,a dynamic data replica management strategy was proposed in cloud computer environment .The replica placement de-cision of the proposed replica management strategy was made by specifically analyzing the state param-eters of target node ,including the current load condition ,the size of the current available storage ca-pacity ,the communication bandwidth ,the historical access record and its historical failure record . And at the same time ,a higher priority was provided to the bigger file replica in the decision-making of replica replacement .Experimental results illustrate that the proposed dynamic replica management strategy is stable in the criterion of average data access distance ,and w hich outperforms other several classic replica strategy in the measurements of the system load balance level and the average task exe-cution time .%针对云计算系统中的单点失效问题 ,提出一种云计算环境下的动态数据副本管理策略 .该管理策略通过综合考虑目标放置节点的当前负载状况、可用存储空间大小、通信带宽以及其历史访问记录和历史失效记录等状态参数来进行数据文件的副本放置决策 ,并在进行副本置换操作时给予大尺寸数据文件副本更高的优先权 .测试结果表明 :该管理策略具有较为稳定的平均数据访问距离 ,且在云计算系统的负载均衡水平和平均任务执行时间指标上优于另外几种经典的副本策略 .

  11. Replica exchange Monte Carlo simulations of the ising spin glass: Static and dynamic properties

    Science.gov (United States)

    Yucesoy, Burcu

    Spin glasses have been the subject of intense study and considerable controversy for decades, and the low-temperature phase of short-range spin glasses is still poorly understood. Our main goal is to improve our understanding in this area and find an answer to the following question: Are there only a single pair or a countable infinity of pure states in the low temperature phase of the EA spin glass? To that aim we first start by introducing spin glasses and provide a brief history of their research, then proceed to describe our method of simulation, the parallel tempering Monte Carlo algorithm. Next, we present the results of a large-scale numerical study of the equilibrium three-dimensional Edwards-Anderson Ising spin glass with Gaussian disorder. In order to understand how the parallel tempering algorithm works, we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the parallel tempering Monte Carlo method. We examine the correlation between static and dynamic observables for ˜ 5000 disorder realizations and up to 1000 spins down to temperatures at 20% of the critical temperature, and our results show that autocorrelation times are directly correlated with the roughness of the free-energy landscape. In the following chapters, the three- and four-dimensional Edwards-Anderson and mean-field Sherrington-Kirkpatrick Ising spin glasses are studied again via large scale Monte Carlo simulations at low temperatures, deep within the spin glass phase. Performing a careful statistical analysis of several thousand independent disorder realizations and using an observable that detects peaks in the overlap distribution, we show that the Sherrington-Kirkpatrick and Edwards-Anderson models have a distinctly different low-temperature behavior. We arrive to the following conclusion: The structure of the spin-glass overlap distribution for the Edwards-Anderson model suggests that its low-temperature phase has only a

  12. Jendl-3.1 iron validation on the PCA-REPLICA (H{sub 2}O/Fe) shielding benchmark experiment

    Energy Technology Data Exchange (ETDEWEB)

    Pescarini, M.; Borgia, M. G. [ENEA, Centro Ricerche ``Ezio Clementel``, Bologna (Italy). Dipt. Energia

    1997-03-01

    The PCA-REPLICA (H{sub 2}O/Fe) neutron shielding benchmarks experiment is analysed using the SN 2-D DOT 3.5-E code and the 3-D-equivalent flux synthesis method. This engineering benchmark reproduces the ex-core radial geometry of a PWR, including a mild steel reactor pressure vessel (RPV) simulator, and is designed to test the accuracy of the calculation of the in-vessel neutron exposure parameters. This accuracy is strongly dependent on the quality of the iron neutron cross sections used to describe the nuclear reactions within the RPV simulator. In particular, in this report, the cross sections based on the JENDL-3.1 iron data files are tested, through a comparison of the calculated integral and spectral results with the corresponding experimental data. In addition, the present results are compared, on the same benchmark experiment, with those of a preceding ENEA-Bologna validation of the ENDF/B VI iron cross sections. The integral result comparison indicates that, for all the threshold detectors considered (Rh-103 (n, n`) Rh-103m, In-115 (n, n`) In-115m and S-32 (n, p) P-32), the JENDL-3.1 natural iron data produce satisfactory results similar to those obtained with the ENDF/B VI iron data. On the contrary, when the JENDL/3.1 Fe-56 data file is used, strongly underestimated results are obtained for the lower energy threshold detectors, Rh-103 and In-115. This fact, in particular, becomes more evident with increasing the neutron penetration depth in the RPV simulator.

  13. A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events

    NARCIS (Netherlands)

    Swenson, D.W.H.; Bolhuis, P.G.

    2014-01-01

    The multiple state transition interface sampling (TIS) framework in principle allows the simulation of a large network of complex rare event transitions, but in practice suffers from convergence problems. To improve convergence, we combine multiple state TIS [J. Rogal and P. G. Bolhuis, J. Chem. Phy

  14. Electrostatic steering and beamlet aiming in large neutral beam injectors

    Science.gov (United States)

    Veltri, P.; Cavenago, M.; Chitarin, G.; Marcuzzi, D.; Sartori, E.; Serianni, G.; Sonato, P.

    2015-04-01

    Neutral beam injection is the main method for plasma heating in magnetic confinement fusion devices. In high energy injector (E>100 keV/amu), neutrals are obtained with reasonable efficiency by conversion of negative ions (H- or D-) via electron detachment reactions. In the case of ITER injectors, which shall operate at 1 MeV, a total ion current of ˜ 40 A is required to satisfy the heating power demand. Gridded electrodes are therefore used in the accelerator, so that 1280 negative ion beamlets are accelerated together. A carefully designed aiming system is required to control the beamlet trajectories, and to deliver their power on a focal point located several meters away from the beam source. In nowadays injectors, the aiming is typically obtained by aperture offset technique or by grid shaping. This paper discuss an alternative concept of beamlets aiming, based on an electrostatic "steerer" to be placed at the end of the accelerator. A feasibility study of this component is also presented, and its main advantages and drawbacks with respect to other methods are discussed.

  15. Electrostatic steering and beamlet aiming in large neutral beam injectors

    Energy Technology Data Exchange (ETDEWEB)

    Veltri, P., E-mail: pierluigi.veltri@igi.cnr.it; Chitarin, G.; Marcuzzi, D.; Sartori, E.; Serianni, G.; Sonato, P. [Consorzio RFX (CNR, ENEA, INFN, Università di Padova, Acciaierie Venete SpA), Corso Stati Uniti 4 - 35127 Padova (Italy); Cavenago, M. [INFN-LNL, viale dell' Università n. 2, 35020 Legnaro (Italy)

    2015-04-08

    Neutral beam injection is the main method for plasma heating in magnetic confinement fusion devices. In high energy injector (E>100 keV/amu), neutrals are obtained with reasonable efficiency by conversion of negative ions (H- or D-) via electron detachment reactions. In the case of ITER injectors, which shall operate at 1 MeV, a total ion current of ∼ 40 A is required to satisfy the heating power demand. Gridded electrodes are therefore used in the accelerator, so that 1280 negative ion beamlets are accelerated together. A carefully designed aiming system is required to control the beamlet trajectories, and to deliver their power on a focal point located several meters away from the beam source. In nowadays injectors, the aiming is typically obtained by aperture offset technique or by grid shaping. This paper discuss an alternative concept of beamlets aiming, based on an electrostatic ”steerer” to be placed at the end of the accelerator. A feasibility study of this component is also presented, and its main advantages and drawbacks with respect to other methods are discussed.

  16. Determination of aims military-technical policy of Ukraine

    Directory of Open Access Journals (Sweden)

    O. F. Salnikova

    2014-06-01

    Full Text Available In the article the aims of military-technical policy are considered. Determination of aims (tasks of military-technical policy, its maintenance, requirements to it and directions of its further development it must come true by the analysis of different factors of external and internal environment. Among such factors: geopolitical and military-political position of Ukraine and its military doctrine; realized and operating programs of development (reformation of the soldiery forming and them technical rigging; terms of future military operations and progress of their maintenance, forms, methods and characteristic signs of battle actions trend; substantive provisions of art of war; conceptions, theories and doctrines of battle application of the soldiery forming of the different states; resources dedicated by the state on development of military-technical sphere and others like that. The fundamental chart of sequence of forming of public military-technical policy is presented in the article.

  17. Use of Probiotic Microorganisms for Bio-Protective Aims

    Directory of Open Access Journals (Sweden)

    Filiz YANGILAR

    2015-03-01

    Full Text Available It was known that some diseases can be treated as the result of the use of antibiotics in certain periods and at certain dosages while inactivating and deteriorating normal microorganisms performing useful activities in human metabolism (in especially intestinal flora. It was occured that after the use of antibiotics, some defects can be seen resulting from antibiotics (such as allergy, diarrhea, gas formation etc. With this aim, nutraceutics and functional food have gained importance over the last years and consumers began to be interested in probiotics, natural antioxidants, dietary fibres, products with low calorie and cholesterol contents, especially the products containing probioticbacteria. Bacteriocins produced by probiotic bacteria can play important roles as food protective and safeguarding since they can compete with unwanted or pathogen microorganisms survive in the media and colonize in intestines. In this review, is aimed to emphasis bioprotective compounds, advantages and disadvantages of biopreservation method and the importance of the mechanisms of probiotic microorganisms.

  18. Research methodology the aims, practices and ethics of science

    CERN Document Server

    Pruzan, Peter

    2016-01-01

    This book is an in-depth guide to effective scientific research. Ranging from the philosophical to the practical, it explains at the outset what science can – and can’t – achieve, and discusses its relationship to mathematics and laws. The author then pays extensive attention to the scientific method, including experimental design, verification, uncertainty and statistics. A major aim of the book is to help young scientists reflect upon the deeper aims of their work and make the best use of their talents in contributing to progress. To this end, it also includes sections on planning research, on presenting one’s findings in writing, as well as on ethics and the responsibilities of scientists. .

  19. Accuracy and reproducibility of dental replica models reconstructed by different rapid prototyping techniques

    NARCIS (Netherlands)

    Hazeveld, Aletta; Huddleston Slater, James J. R.; Ren, Yijin

    INTRODUCTION: Rapid prototyping is a fast-developing technique that might play a significant role in the eventual replacement of plaster dental models. The aim of this study was to investigate the accuracy and reproducibility of physical dental models reconstructed from digital data by several rapid

  20. 云存储智能多数据副本放置机制��%Intelligent Multiple Data Replica Placement Scheme for Cloud Storage

    Institute of Scientific and Technical Information of China (English)

    张榜; 王兴伟; 黄敏

    2014-01-01

    The data replica management scheme is a critical component of cloud storage system. In order to improve its scalability and reliability at the same time shorten user access time, the multiple data replica scheme should be adopted and the proper placement for each replica should be determined. Thus, this paper proposes an intelligent multiple data replica placement scheme for cloud storage. This scheme is based on p-center model with minimizing user access cost as its optimization objective. It uses genetic algorithm (GA) to find the optimal data replica placement solution and uses biogeography-based optimization (BBO) algorithm to optimally assign user access request to the specific data replica. The proposed scheme has been implemented based on CloudSim and performance evaluation has been done. The simulation results show that it is both feasible and effective.%数据副本管理机制是云存储系统的重要组成部分。为了提高云存储系统的可伸缩性、可靠性,同时改善用户访问时间,通常采用多数据副本机制,并且需要解决数据副本放置问题。为此,提出了一种用于云存储系统的智能多数据副本放置机制。该机制基于p-中心模型,以最小化访问代价为优化目标,基于遗传算法(genetic algorithm,GA)确定优化的数据副本放置方案,基于生物地理学优化(biogeography-based optimization,BBO)算法确定用户访问请求对数据副本的优化分配。基于CloudSim进行了仿真实现和性能评价,结果表明,云存储智能多数据副本放置机制是可行和有效的。

  1. Triple AIM evaluation and application in advanced node

    Science.gov (United States)

    Wang, Gary C.; Lio, En Chuan; Hung, Yuting; Chen, Charlie; Wang, Sybil; Weng, Tang Chun; Lin, Bill; Yu, Chun Chi

    2016-03-01

    A novel method on advanced node for IBO (Image Based Overlay) data extraction accuracy is demonstrated in this work, and here some special design in triple-AIM (Advanced Imaging Metrology) is able to realize the approach. Since triple AIM design has 3 locations left for patterning layers insertion, a new design with 2 layers locations, location-A (inner) and location-B (middle), are generated by 1st pattering, i.e. once lithography exposure, and the 2 marks grouping are formed on dielectric through lithography and etching process with a predetermined overlay "zero offset" through original mask layout design, as illustrated in Fig. (1). And then, as following top photo resist layer, assumed location-C (outer), lithography patterning process, PR coating, exposure and development complete, full triple-AIM patterns is generated, and 3 sets of overlay data could be obtained, A to B, C to B, C to A. Through re-calculating the overlay raw data of current (2nd patterning layer) to previous (1st patterning layer) layer by averaging [C to B] and [C to A], then theoretically the data extraction of sites would be more accuracy, since the variation of local marks signal, induced by inline process instability, could be minimized through the raw data averaging procedure. Moreover, from raw data [A to B], an extra monitor function for detections of the inline process variation, marks selection and recipe setting optimization could be obtained, since marks in [A] and [BB] locations are both generated in 1st patterning, and with the target "zero". So if the raw data [A to BB] is bigger or smaller than "zero" in some degree, there should be some process issue or marks condition setting error in triple-AIM design.

  2. Recovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.

    Science.gov (United States)

    Zheng, Weihua; Andrec, Michael; Gallicchio, Emilio; Levy, Ronald M

    2009-08-27

    We present an approach to recover kinetics from a simplified protein folding model at different temperatures using the combined power of replica exchange (RE), a kinetic network, and effective stochastic dynamics. While RE simulations generate a large set of discrete states with the correct thermodynamics, kinetic information is lost due to the random exchange of temperatures. We show how we can recover the kinetics of a 2D continuous potential with an entropic barrier by using RE-generated discrete states as nodes of a kinetic network. By choosing the neighbors and the microscopic rates between the neighbors appropriately, the correct kinetics of the system can be recovered by running a kinetic simulation on the network. We fine-tune the parameters of the network by comparison with the effective drift velocities and diffusion coefficients of the system determined from short-time stochastic trajectories. One of the advantages of the kinetic network model is that the network can be built on a high-dimensional discretized state space, which can consist of multiple paths not consistent with a single reaction coordinate.

  3. Involvement of microbial mats in early fossilization by decay delay and formation of impressions and replicas of vertebrates and invertebrates

    Science.gov (United States)

    Iniesto, Miguel; Buscalioni, Ángela D.; Carmen Guerrero, M.; Benzerara, Karim; Moreira, David; López-Archilla, Ana I.

    2016-05-01

    Microbial mats have been hypothesized to improve the persistence and the preservation of organic remains during fossilization processes. We test this hypothesis with long-term experiments (up to 5.5 years) using invertebrate and vertebrate corpses. Once placed on mats, the microbial community coats the corpses and forms a three-dimensional sarcophagus composed of microbial cells and exopolymeric substances (EPS). This coverage provides a template for i) moulding superficial features, resulting in negative impressions, and ii) generating replicas. The impressions of fly setulae, fish scales and frog skin verrucae are shaped mainly by small cells in an EPS matrix. Microbes also replicate delicate structures such as the three successive layers that compose a fish eye. The sarcophagus protects the body integrity, allowing the persistence of inner organs such as the ovaries and digestive apparatus in flies, the swim bladder and muscles in fish, and the bone marrow in frog legs. This study brings strong experimental evidence to the idea that mats favour metazoan fossilization by moulding, replicating and delaying decay. Rapid burial has classically been invoked as a mechanism to explain exceptional preservation. However, mats may play a similar role during early fossilization as they can preserve complex features for a long time.

  4. Adsorption of a Hard Sphere Fluid in a Disordered Polymerized Matrix: Application of the Replica Ornstein-Zernike Equations

    Science.gov (United States)

    Pizio; Trokhymchuk; Henderson; Labik

    1997-07-01

    A model of hard spheres adsorbed in disordered porous media is studied using the associative replica Ornstein-Zernike (ROZ) equations. Extending previous studies of adsorption in a hard sphere matrices, we investigate a polymerized matrix. We consider an associating fluid of hard spheres with two intracore attractive sites per particle; consequently chains consisting of overlapping hard spheres can be formed due to the chemical association. This is the generalization of the model with sites on the surface of Wertheim that has been studied in the bulk by Chang and Sandler. The matrix structure is obtained in the polymer Percus-Yevick approximation. We solve the ROZ equations in the associative hypernetted chain approximation. The pair distribution functions, the fluid compressibility, the equation of state and chemical potential of the adsorbed fluid are obtained and discussed. It is shown that the adsorption of a hard sphere fluid in a matrix at given density, but consisting of longer chains of overlapping hard spheres, is higher than the adsorption of this fluid in a hard sphere matrix.

  5. Membrane insertion of fusion peptides from Ebola and Marburg viruses studied by replica-exchange molecular dynamics simulations.

    Science.gov (United States)

    Olson, Mark A; Lee, Michael S; Yeh, In-Chul

    2017-01-28

    This work presents replica-exchange molecular dynamics simulations of inserting a 16-residue Ebola virus fusion peptide into a membrane bilayer. A computational approach is applied for modeling the peptide at the explicit all-atom level and the membrane-aqueous bilayer by a generalized Born continuum model with a smoothed switching function (GBSW). We provide an assessment of the model calculations in terms of three metrics: (1) the ability to reproduce the NMR structure of the peptide determined in the presence of SDS micelles and comparable structural data on other fusion peptides; (2) determination of the effects of the mutation Trp-8 to Ala and sequence discrimination of the homologous Marburg virus; and (3) calculation of potentials of mean force for estimating the partitioning free energy and their comparison to predictions from the Wimley-White interfacial hydrophobicity scale. We found the GBSW implicit membrane model to produce results of limited accuracy in conformational properties of the peptide when compared to the NMR structure, yet the model resolution is sufficient to determine the effect of sequence differentiation on peptide-membrane integration. © 2016 Wiley Periodicals, Inc.

  6. Photovoltaic performance of nanoporous TiO2 replicas synthesized from mesoporous materials for dye-sensitized solar cells.

    Science.gov (United States)

    Hwang, Kyung-Jun; Yoo, Seung-Joon; Kim, Sung-Soo; Kim, Ji-Man; Shim, Wang-Geun; Kim, Sun-Il; Lee, Jae-Wook

    2008-10-01

    For dye-sensitized solar cell (DSSC), highly ordered nanoporous TiO2 materials with crystalline frameworks were successfully synthesized from different silica templates including SBA-15, KIT-6 and MSU-H. A photoelectrode in DSSC was fabricated by adsorbing cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)-ruthenium(II)bis-tetrabutylammonium dye (N719) onto the prepared TiO2 nanoparticles. The samples were characterized by XRD, TEM, FE-SEM, AFM and Brunauer-Emmett-Teller (BET), and FT-IR analysis. An investigation of the influence of the bonding structure of N719 dye and nanoporous TiO2 on the photovoltaic performance of DSSC revealed that the bonding structure of N719 on TiO2 films is caused by the unidentate and bidentate linkage. Based on the overall conversion efficiency (eta), fill factor (FF), open-circuit voltage (V(oc)) and short-circuit current (/sc) from the I-V curves measured, it was observed that the photoelectric performance is strongly dependent on the dispersion properties of the nanoporous TiO2 replicas from mesoporous silica templates.

  7. A replica technique for extracting precipitates from neutron-irradiated or thermal-aged vanadium alloys for TEM analysis

    Energy Technology Data Exchange (ETDEWEB)

    Fukumoto, K., E-mail: fukumoto@u-fukui.ac.jp; Iwasaki, M.

    2014-06-01

    A carbon replica technique has been developed to extract precipitates from vanadium alloys. Using this technique, precipitation phases can be extracted from neutron-irradiated or thermal-aged V–4Cr–4Ti alloys. Precipitate identification using EDS X-ray analysis and electron diffraction was facilitated. Only NaCl type of Ti(OCN) precipitate was formed in the thermal-aged V–4Cr–4Ti alloys at 600 °C for 20 h and cation sub-lattice was only occupied by Ti atoms. However, the thin plate of precipitates with NaCl type of crystallographic structure could be seen in the V–4Cr–4Ti alloys irradiated at 593 °C in the JOYO fast reactor. The precipitate contained chromium and vanadium atoms on the cation sub-lattice as well as titanium atoms. It is considered that the phase of MX type (M = Ti, V, Cr and X = O, N, C) is a metastable phase under neutron irradiation.

  8. A replica technique for extracting precipitates from neutron-irradiated or thermal-aged vanadium alloys for TEM analysis

    Science.gov (United States)

    Fukumoto, K.; Iwasaki, M.

    2014-06-01

    A carbon replica technique has been developed to extract precipitates from vanadium alloys. Using this technique, precipitation phases can be extracted from neutron-irradiated or thermal-aged V-4Cr-4Ti alloys. Precipitate identification using EDS X-ray analysis and electron diffraction was facilitated. Only NaCl type of Ti(OCN) precipitate was formed in the thermal-aged V-4Cr-4Ti alloys at 600 °C for 20 h and cation sub-lattice was only occupied by Ti atoms. However, the thin plate of precipitates with NaCl type of crystallographic structure could be seen in the V-4Cr-4Ti alloys irradiated at 593 °C in the JOYO fast reactor. The precipitate contained chromium and vanadium atoms on the cation sub-lattice as well as titanium atoms. It is considered that the phase of MX type (M = Ti, V, Cr and X = O, N, C) is a metastable phase under neutron irradiation.

  9. A procedure to analyze surface profiles of the protein molecules visualized by quick-freeze deep-etch replica electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kimori, Yoshitaka [Division of Biomolecular Imaging, Institute of Medical Science, The University of Tokyo, Minato-ku, Tokyo 108-8639 (Japan); Department of Bioscience and Bioinformatics, Kyushu Institute of Technology, Iizuka, Fukuoka 820-8502 (Japan); Oguchi, Yosuke [Department of Electric Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Ichise, Norihiko [Department of Visual Communication, Komazawa Women' s University, Inagi, Tokyo 206-8511 (Japan); Baba, Norio [Department of Electric Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Katayama, Eisaku [Division of Biomolecular Imaging, Institute of Medical Science, The University of Tokyo, Minato-ku, Tokyo 108-8639 (Japan)]. E-mail: ekatayam@ims.u-tokyo.ac.jp

    2007-01-15

    Quick-freeze deep-etch replica electron microscopy gives high contrast snapshots of individual protein molecules under physiological conditions in vitro or in situ. The images show delicate internal pattern, possibly reflecting the rotary-shadowed surface profile of the molecule. As a step to build the new system for the 'Structural analysis of single molecules', we propose a procedure to quantitatively characterize the structural property of individual molecules; e.g. conformational type and precise view-angle of the molecules, if the crystallographic structure of the target molecule is available. This paper presents a framework to determine the observed face of the protein molecule by analyzing the surface profile of individual molecules visualized in freeze-replica specimens. A comprehensive set of rotary-shadowed views of the protein molecule was artificially generated from the available atomic coordinates using light-rendering software. Exploiting new mathematical morphology-based image filter, characteristic features were extracted from each image and stored as template. Similar features were extracted from the true replica image and the most likely projection angle and the conformation of the observed particle were determined by quantitative comparison with a set of archived images. The performance and the robustness of the procedure were examined with myosin head structure in defined configuration for actual application.

  10. A procedure to analyze surface profiles of the protein molecules visualized by quick-freeze deep-etch replica electron microscopy.

    Science.gov (United States)

    Kimori, Yoshitaka; Oguchi, Yosuke; Ichise, Norihiko; Baba, Norio; Katayama, Eisaku

    2007-01-01

    Quick-freeze deep-etch replica electron microscopy gives high contrast snapshots of individual protein molecules under physiological conditions in vitro or in situ. The images show delicate internal pattern, possibly reflecting the rotary-shadowed surface profile of the molecule. As a step to build the new system for the "Structural analysis of single molecules", we propose a procedure to quantitatively characterize the structural property of individual molecules; e.g. conformational type and precise view-angle of the molecules, if the crystallographic structure of the target molecule is available. This paper presents a framework to determine the observed face of the protein molecule by analyzing the surface profile of individual molecules visualized in freeze-replica specimens. A comprehensive set of rotary-shadowed views of the protein molecule was artificially generated from the available atomic coordinates using light-rendering software. Exploiting new mathematical morphology-based image filter, characteristic features were extracted from each image and stored as template. Similar features were extracted from the true replica image and the most likely projection angle and the conformation of the observed particle were determined by quantitative comparison with a set of archived images. The performance and the robustness of the procedure were examined with myosin head structure in defined configuration for actual application.

  11. A distinct group of CpG islands shows differential DNA methylation between replicas of the same cell line in vitro.

    Science.gov (United States)

    Cocozza, Sergio; Scala, Giovanni; Miele, Gennaro; Castaldo, Imma; Monticelli, Antonella

    2013-10-10

    CpG dinucleotide-rich genomic DNA regions, known as CpG islands (CGIs), can be methylated at their cytosine residues as an epigenetic mark that is stably inherited during cell mitosis. Differentially methylated regions (DMRs) are genomic regions showing different degrees of DNA methylation in multiple samples. In this study, we focused our attention on CGIs showing different DNA methylation between two culture replicas of the same cell line. We used methylation data of 35 cell lines from the Encyclopedia of DNA Elements (ENCODE) consortium to identify CpG islands that were differentially methylated between replicas of the same cell line and denoted them Inter Replicas Differentially Methylated CpG islands (IRDM-CGIs). We identified a group of IRDM-CGIs that was consistently shared by different cell lines, and denoted it common IRDM-CGIs. X chromosome CGIs were overrepresented among common IRDM-CGIs. Autosomal IRDM-CGIs were preferentially located in gene bodies and intergenic regions had a lower G + C content, a smaller mean length, and a reduced CpG percentage. Functional analysis of the genes associated with autosomal IRDM-CGIs showed that many of them are involved in DNA binding and development. Our results show that several specific functional and structural features characterize common IRDM-CGIs. They may represent a specific subset of CGIs that are more prone to being differentially methylated for their intrinsic characteristics.

  12. Reordering hydrogen bonds using Hamiltonian replica exchange enhances sampling of conformational changes in biomolecular systems

    NARCIS (Netherlands)

    Vreede, J.; Wolf, M.G.; de Leeuw, S.W.; Bolhuis, P.G.

    2009-01-01

    Hydrogen bonds play an important role in stabilizing (meta-)stable states in protein folding. Hence, they can potentially be used as a way to bias these states in molecular simulation methods. Previously, Wolf et al. showed that applying repulsive and attractive hydrogen bond biasing potentials in a

  13. Cell encapsulation in sub-mm sized gel modules using replica molding.

    Directory of Open Access Journals (Sweden)

    Alison P McGuigan

    Full Text Available For many types of cells, behavior in two-dimensional (2D culture differs from that in three-dimensional (3D culture. Among biologists, 2D culture on treated plastic surfaces is currently the most popular method for cell culture. In 3D, no analogous standard method--one that is similarly convenient, flexible, and reproducible--exists. This paper describes a soft-lithographic method to encapsulate cells in 3D gel objects (modules in a variety of simple shapes (cylinders, crosses, rectangular prisms with lateral dimensions between 40 and 1000 microm, cell densities of 10(5-10(8 cells/cm(3, and total volumes between 1x10(-7 and 8x10(-4 cm(3. By varying (i the initial density of cells at seeding, and (ii the dimensions of the modules, the number of cells per module ranged from 1 to 2500 cells. Modules were formed from a range of standard biopolymers, including collagen, Matrigel, and agarose, without the complex equipment often used in encapsulation. The small dimensions of the modules allowed rapid transport of nutrients by diffusion to cells at any location in the module, and therefore allowed generation of modules with cell densities near to those of dense tissues (10(8-10(9 cells/cm(3. This modular method is based on soft lithography and requires little special equipment; the method is therefore accessible, flexible, and well suited to (i understanding the behavior of cells in 3D environments at high densities of cells, as in dense tissues, and (ii developing applications in tissue engineering.

  14. A proper methodology aimed at surface wave tomography

    Directory of Open Access Journals (Sweden)

    J. Badal

    1997-06-01

    Full Text Available When applying a methodology for obtaining the 3D shear-wave velocity structure of a medium from surface wave dispersion data, the problem must be considered with caution since one inverts path-averaged velocities and the use of any inversion method entails some drawbacks such as lack of uniqueness, unwarranted stability and constraints affecting the data. In order to avoid the application of consecutive inversions and to overcome these drawbacks, we propose alternative mapping methods, for example spatial prediction methods, or else the use of an algorithm that, from a mathematical viewpoint, can be understood through the application of the orthogonal projection theorem onto convex sets (POCS. Among the first ones, we try inverse weighted distance interpolation. The POCS algorithm we have used discretises a second order differential equation for the velocity field with boundary conditions. All these imaging techniques aimed at volumetric modelling and the visualisation of data are discussed, and finally we show some results based on ray path velocities obtained previously by inversion of phase and group velocities of Rayleigh waves propagating across the Iberian peninsula.

  15. Ultimate Educational Aims, Overridingness, and Personal Well-Being

    Science.gov (United States)

    Haji, Ishtiyaque; Cuypers, Stefaan E.

    2011-01-01

    Discussion regarding education's aims, especially its ultimate aims, is a key topic in the philosophy of education. These aims or values play a pivotal role in regulating and structuring moral and other types of normative education. We outline two plausible strategies to identify and justify education's ultimate aims. The first associates these…

  16. Visual Distraction: An Altered Aiming Spatial Response in Dementia

    Directory of Open Access Journals (Sweden)

    Elizabeth E. Galletta

    2012-06-01

    Full Text Available Background/Aims: Healthy individuals demonstrate leftward bias on visuospatial tasks such as line bisection, which has been attributed to right brain dominance. We investigated whether this asymmetry occurred in patients with probable dementia of the Alzheimer type (pAD which is associated with neurodegenerative changes affecting temporoparietal regions. Methods: Subjects with pAD and matched controls performed a line bisection task in near and far space under conditions of no distraction, left-sided visual distraction and right-sided visual distraction. Results: Participants with pAD manifested different motor-preparatory ‘aiming’ spatial bias than matched controls. There were significantly greater rightward ‘aiming’ motor-intentional errors both without distraction and with right-sided distraction. Conclusion: ‘Aiming’ motor-preparatory brain activity may be induced by distraction in pAD subjects as compared to typical visual-motor function in controls.

  17. Métodos de coloração de Roeser (1972: modificado - e Kropp (1972 visando a substituição do azul de astra por azul de alcião 8GS ou 8GX Staining methods of modified Roeser (1972 and Kropp (1972, aiming at substituing the astra blue by alcian blue 8GS or 8GX

    Directory of Open Access Journals (Sweden)

    Rebeca Luque

    1996-12-01

    Full Text Available Em folhas de Lychnophora ericoides, Coffea arabica e Nymphaea mexicana foram testados métodos de coloração baseados em Roeser (1972 modificado e Kropp (1972, visando a substituição do corante azul de astra por azul de alcião 8GS ou 8GX. As amostras foram fixadas em FAA, desidratadas em série butílica terciária e incluídas em parafina. Os cortes histológicos transversais foram corados segundo diferentes baterias de coloração, modificadas quanto ao tipo de corante usado, diferenciador e série de desidratação. As lâminas permanentes foram preparadas com bálsamo-do-canadá sintético. Os resultados obtidos evidenciaram que o método de Roeser (1972 modificado é melhor que o de Kropp (1972, nas condições deste experimento. O azul de astra pode ser substituído por azul de alcião 8GX e a desidratação pode ser em série isopropílica ou etílica, sem grande diferença entre elas. São discutidos os resultados provenientes das diferentes colorações.Staining methods based on modified Roeser (1972 as well as that of Kropp (1972 were done with leaves of Lychnophora ericoides, Coffea arabica and Nymphaea mexicana aiming at substituing the astra blue stain by alcian blue 8GS or 8GX. Samples were fixed in FAA, dehydrated in teit-butyl alcohol series and embedded in paraffin. The histological transversal sections were stained in different staining batteries, modified according to the type of stains and differentiators, and the series of dehydration. Permanent slides were prepared with synthetic Canada balsam. The results obtained indicate that the modified Roeser method (1972 is better than that of Kropp (1972 under present experimental conditions. The astra blue can be substituted by alcian blue 8GX and dehydration can be isopropylic or ethylic, with little difference between them. The results obtained with the different staining techniques used are discussed.

  18. Efficient and Minimal Method to Bias Molecular Simulations with Experimental Data.

    Science.gov (United States)

    White, Andrew D; Voth, Gregory A

    2014-08-12

    A primary goal in molecular simulations is to modify the potential energy of a system so that properties of the simulation match experimental data. This is traditionally done through iterative cycles of simulation and reparameterization. An alternative approach is to bias the potential energy so that the system matches experimental data. This can be done while minimally changing the underlying free energy of the molecular simulation. Current minimal biasing methods require replicas, which can lead to unphysical dynamics and introduces new complexity: the choice of replica number and their properties. Here, we describe a new method, called experiment directed simulation that does not require replicas, converges rapidly, can match many data simultaneously, and minimally modifies the potential. The experiment directed simulation method is demonstrated on model systems and a three-component electrolyte simulation. The theory used to derive the method also provides insight into how changing a molecular force-field impacts the expected value of observables in simulation.

  19. Evaluation of the use of 3D printing and imaging to create working replica keys

    Science.gov (United States)

    Straub, Jeremy; Kerlin, Scott

    2016-06-01

    This paper considers the efficacy of 3D scanning and printing technologies to produce duplicate keys. Duplication of keys, based on remote-sensed data represents a significant security threat, as it removes pathways to determining who illicitly gained access to a secured premises. Key to understanding the threat posed is the characterization of the easiness of gaining the required data for key production and an understanding of how well keys produced under this method work. The results of an experiment to characterize this are discussed and generalized to different key types. The effect of alternate sources of data on imaging requirements is considered.

  20. Replacing and representing patients: Professional feelings and plastic body replicas in nursing education

    DEFF Research Database (Denmark)

    Soffer, Ann Katrine Bønnelykke

    2015-01-01

    This article examines the intimate profession of nursing and the affective practices that bind bodies together into engagements that appear stable. However, once the bodies of patients are replaced with ‘plastic replicas’ for the purpose of clinical training within an educational setting, new...... attending to the difference between feeling patients and plastic. Sensuous ethnography is the method used for exploring these professional engagements. By engaging through bodily senses, I actively use bodies as tools of inquiry and sources of knowledge within nursing. I argue that the notion...

  1. Enzymatic sorting of bacterial colonies on filter paper replicas: detection of labile activities.

    Science.gov (United States)

    Bulawa, C E; Ganong, B R; Sparrow, C P; Raetz, C R

    1981-01-01

    To utilize autoradiographic colony-sorting techniques (C. R. H. Raetz, Proc. Natl. Acad. Sci. U.S.A. 72:2274-2278, 1975) for the isolation of mutants with unstable enzymes, we report a new desiccation-induced lysis method, compatible with low temperatures. Furthermore, a general, two-step protocol is presented for clonal detection of hydrolytic reactions. The advantages of these critical modifications are demonstrated with the membrane enzymes glycerol 3-phosphate acyltransferase and cytidine 5'-diphosphate-diglyceride hydrolase. Images PMID:6116698

  2. Replacing and representing patients: Professional feelings and plastic body replicas in nursing education

    DEFF Research Database (Denmark)

    Soffer, Ann Katrine Bønnelykke

    2015-01-01

    This article examines the intimate profession of nursing and the affective practices that bind bodies together into engagements that appear stable. However, once the bodies of patients are replaced with ‘plastic replicas’ for the purpose of clinical training within an educational setting, new...... affective relations emerge and underexplored aspects of professional engagements appear. Through theories of affectivity, I propose the notion of touchability as a theoretical device which focuses attention on the body and the sensory, affective and embodied vicissitudes that traverse it, while nonetheless...... attending to the difference between feeling patients and plastic. Sensuous ethnography is the method used for exploring these professional engagements. By engaging through bodily senses, I actively use bodies as tools of inquiry and sources of knowledge within nursing. I argue that the notion...

  3. Sulfur activation at the Little Boy-Comet Critical Assembly: a replica of the Hiroshima bomb

    Energy Technology Data Exchange (ETDEWEB)

    Kerr, G.D.; Emery, J.F.; Pace, J.V. III

    1985-04-01

    Studies have been completed on the activation of sulfur by fast neutrons from the Little Boy-Comet Critical Assembly which replicates the general features of the Hiroshima bomb. The complex effects of the bomb's design and construction on leakage of sulfur-activation neutrons were investigated both experimentally and theoretically. Our sulfur activation studies were performed as part of a larger program to provide benchmark data for testing of methods used in recent source-term calculations for the Hiroshima bomb. Source neutrons capable of activating sulfur play an important role in determining neutron doses in Hiroshima at a kilometer or more from the point of explosion. 37 refs., 5 figs., 6 tabs.

  4. Replica exchange molecular dynamics simulation of cross-fibrillation of IAPP and PrP106-126.

    Science.gov (United States)

    Chua, Khi Pin; Chew, Lock Yue; Mu, Yuguang

    2016-08-01

    Aggregation of proteins into amyloid is the central hallmark of a number of protein diseases. Most studies were carried out on the aggregation between proteins of similar species. However, it was observed that some patients with certain protein disease can easily acquire another unrelated protein disease. As such, it is also important to examine aggregation between proteins of different species. Usually aggregation between proteins of the same species can be attributed to the similarity between their respective amino acid sequences. In this article, we were motivated by an experimental study of aggregation between amylin (Islet Amyloid Polypeptide, IAPP) and prion106-126 (PrP106-126) fragment (JACS, 2013, 135, 13582-9). It was found that the two non-homologous peptides can aggregate quickly to form fibrils in the presence of negatively charged lipid bilayer. We attempted to elucidate the molecular mechanism of the early stage of dimerization of these two peptides through extensive replica exchange molecular dynamics simulations. Conformations consisting of various degrees of β-sheets structures, both intra-chain and inter-chain, were found in the simulations. The conformations of the aggregated complex are very diverse, which suggests that the cross-species fibrils formed between the two proteins are highly polymorphic. The driving forces are mainly hydrophobic interactions, including aromatic-aliphatic interactions. The palindromic region of PrP106-126 and SNNFGAIL region of IAPP were found to play important roles in the interaction. Our study sheds insight into the exciting research of protein cross-fibrillation. Proteins 2016; 84:1134-1146. © 2016 Wiley Periodicals, Inc.

  5. Actin-myosin interactions visualized by the quick-freeze, deep-etch replica technique.

    Science.gov (United States)

    Heuser, J E; Cooke, R

    1983-09-05

    A new method of preparing biological samples for electron microscopy has been used to re-examine the structure of actin filaments, actin filaments decorated by myosin subfragment-1 (S1), and insect flight muscles. Samples were quick-frozen by contact with a block of copper cooled to approximately 4 K; then were freeze-fractured, deep-etched, rotary-replicated with platinum, and viewed in a transmission electron microscope. By this approach, actin filaments display prominent transverse bands whose repeat (approximately 5.5 nm) and pitch (approximately 15 to 20 degrees) fit with the expected left-handed "genetic" helix. Freeze-etched actin filaments do not, however, display the usual two-start helix as prominently as is seen after negative staining, and they also appear substantially thicker than after negative staining (9 to 10 nm versus 8 nm). The latter two-start helix appears very clearly after S1 decoration. Nevertheless, freeze-etched acto-S1 does not display the "arrowheads" that are seen after negative staining. Instead it displays the outer envelope of the helically deployed S1, and as would be expected from current models derived from optical reconstruction of negatively stained samples, this surface view looks only slightly polarized. Finally, the quick-freeze, deep-etch approach provides particularly distinct images of the crossbridges in insect flight muscles. These are plentiful and regularly arranged in rigor muscles, but rare in muscles relaxed with ATP before freezing. In rigor muscles fixed with aldehydes, these crossbridges assume a broad distribution of inclination, ranging from 45 degrees to 90 degrees with a mean of approximately 80 degrees, which is less tilt than has been seen before in thin-sectioned muscles. However, when aldehyde fixation is followed by exposure to tannic acid with or without uranyl acetate block-staining, crossbridges assume a more acute angle with respect to the fiber axis, centering around 45 degrees. This is associated

  6. Cellulose Acetate Replica Cleaning Study of Genesis Non-Flight Sample 3CZ00327

    Science.gov (United States)

    Kuhlman, K. R.; Schmeling, M.; Gonzalez, C. P.; Allton, J. H.; Burnett, D. S.

    2014-01-01

    The Genesis mission collected solar wind and brought it back to Earth in order to provide precise knowledge of solar isotopic and elemental compositions. The ions in the solar wind were stopped in the collectors at depths on the order of 10 to a few hundred nanometers. This shallow implantation layer is critical for scientific analysis of the composition of the solar wind and must be preserved throughout sample handling, cleaning, processing, distribution, preparation and analysis. We are working interactively with the community of scientists analyzing Genesis samples, using our unique laboratory facilities -- and, where needed, our unique cleaning techniques -- to significantly enhance the science return from the Genesis mission. This work is motivated by the need to understand the submicron contamination on the collectors in the Genesis payload as recovered from the crash site in the Utah desert, and -- perhaps more importantly -- how to remove it. That is, we are evaluating the effectiveness of the wet-chemical "cleaning" steps used by various investigators, to enable them to design improved methods of stripping terrestrial contamination from surfaces while still leaving the solar-wind signal intact.

  7. Research of transport and deposition of aerosol in human airway replica

    Directory of Open Access Journals (Sweden)

    Mravec Filip

    2012-04-01

    Full Text Available Growing concern about knowledge of aerosol transport in human lungs is caused by great potential of use of inhaled pharmaceuticals. Second substantial motive for the research is an effort to minimize adverse effects of particular matter emitted by traffic and industry on human health. We created model geometry of human lungs to 7th generation of branching. This model geometry was used for fabrication of two physical models. The first one is made from thin walled transparent silicone and it allows a measurement of velocity and size of aerosol particles by Phase Doppler Anemometry (PDA. The second one is fabricated by stereolithographic method and it is designed for aerosol deposition measurements. We provided a series of measurements of aerosol transport in the transparent model and we ascertained remarkable phenomena linked with lung flow. The results are presented in brief. To gather how this phenomena affects aerosol deposition in human lungs we used the second model and we developed a technique for deposition fraction and deposition efficiency assessment. The results confirmed that non-symmetric and complicated shape of human airways essentially affects transport and deposition of aerosol. The research will now focus on deeper insight in aerosol deposition.

  8. Assessment of mild steel damage characteristics by physical methods

    Science.gov (United States)

    Botvina, L. R.; Soldatenkov, A. P.; Levin, V. P.; Tyutin, M. R.; Demina, Yu. A.; Petersen, T. B.; Dubov, A. A.; Semashko, N. A.

    2016-01-01

    The deformation and fracture localization characteristics are estimated by the methods of replicas, acoustic emission, metal magnetic memory, ultrasonic attenuation, microhardness, and electrical resistance. The relation between the estimated physical parameters on the one hand and the plastic zone size and the microcrack concentration in this zone, on the other, is considered.

  9. Fluency: an aim in teaching and a criterion in assessment

    Directory of Open Access Journals (Sweden)

    Aud Marit Simensen

    2010-05-01

    Full Text Available This article investigates the concept ‘fluency’ from different perspectives. When fluency is an aim in teaching, a thorough comprehension of the concept among teachers is a prerequisite for appropriate planning of instruction, including the choice of appropriate classroom activities. When fluency is an assessment criterion, it is even more important that examiners have a shared perception of the concept. The present article starts by presenting common perceptions of the concept and goes on to explore some of the current research. Next, it provides a historical overview of the place of fluency in teaching theory and explains some of the preconditions for the inclusion of this concept among teaching objectives and assessment criteria. It will also, as an illustration, give an outline of the position of the concept over time in the Norwegian school system on the basis of an analysis of the relevant syllabuses. Finally, the article explicates the notion of language use as a complex cognitive skill and explores current method¬ological ideas about teaching towards fluency.

  10. Rapid Replica Copy Algorithm Based on Popularity in Hadoop%基于热度的Hadoop快速副本复制算法

    Institute of Scientific and Technical Information of China (English)

    张倩; 郑烇; 王嵩

    2015-01-01

    In cloud storage centers, replica of file may be lost because of the failure of nodes, which will affect the reliability of system, as well as the efficiency of file concurrent access. There are some deficiencies in the default replica copy algorithm in Hadoop, such as a concentration of data transfer process on a few DataNodes, load imbalance, low disk I/O throughput. To address this issue, this paper proposes a rapid replica copy algorithm based on popularity in Hadoop. It handles the popular block firstly, and chooses source and destination DataNodes properly. The simulation results show that the proposed algorithm improves the disk I/O throughput, load balance, and reduces average service response time significantly.%在云存储中心,由于节点失效带来的文件数据块副本丢失不仅会影响系统的可靠性,还会影响文件的并发访问效率。针对 Hadoop 中默认的副本复制方法存在的问题,即副本复制过程某些节点数据传输过于集中,负载不均衡,磁盘 I/O 吞吐率低,提出一种基于热度的快速副本复制算法。该算法优先复制热度高的数据块,合理选择数据块复制的源节点和目的节点。仿真结果表明,该算法平衡了系统的工作负载,提高了磁盘 I/O 吞吐率,显著降低用户请求平均响应时间。

  11. Important treatment aims at the end of life: a nationwide study among GPs.

    NARCIS (Netherlands)

    Claessen, S.J.J.; Echteld, M.A.; Francke, A.L.; Block, L. van den; Donker, G.A.; Deliens, L.

    2012-01-01

    Background: Little is known about treatment aims during the last 3 months of life. Aim: To investigate important treatment aims in the last 3 months of patients' lives in cases of on-sudden death. Design and setting: Mortality follow-back study in the Netherlands. Method: data were collected retrosp

  12. Non-invasive Florentine Renaissance Panel Painting Replica Structures Investigation by Using Terahertz Time-Domain Imaging (THz-TDI) Technique

    Science.gov (United States)

    Koch Dandolo, Corinna L.; Picollo, Marcello; Cucci, Costanza; Jepsen, Peter Uhd

    2016-11-01

    The potentials of the Terahertz Time-Domain Imaging (THz-TDI) technique for a non-invasive inspection of panel paintings have been considered in detail. The THz-TD data acquired on a replica of a panel painting made in imitation of Italian Renaissance panel paintings were processed in order to provide insights as to the limits and potentials of the technique in detecting different kinds of underdrawings and paint layers. Constituent layers, construction techniques, and anomalies were identified and localized by interpreting the extracted THz dielectric stratigraphy.

  13. Conductive polymer-mediated 2D and 3D arrays of Mn3O4 nanoblocks and mesoporous conductive polymers as their replicas.

    Science.gov (United States)

    Nakagawa, Yoshitaka; Kageyama, Hiroyuki; Matsumoto, Riho; Oaki, Yuya; Imai, Hiroaki

    2015-11-28

    Orientation-controlled 2D and 3D microarrays of Mn3O4 nanocuboids that were mediated by a conductive polymer were fabricated by evaporation-induced self-assembly of the oxide nanoblocks and subsequent polymerization of pyrrole in the interparticle spaces. Free-standing mesoporous polypyrroles (PPy) having chain- and square-grid-like nanovoid arrays were obtained as replicas of the composite assemblies by dissolving the oxide nanoblocks. The PPy-mediated manganese oxide arrays exhibited stable electrochemical performance as an ultrathin anode of a lithium-ion secondary battery.

  14. Source and replica calculations

    Energy Technology Data Exchange (ETDEWEB)

    Whalen, P.P.

    1994-02-01

    The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem.

  15. Intervento di replica

    Directory of Open Access Journals (Sweden)

    Gianluigi Rossini

    2013-12-01

    Full Text Available Già dalla discussione che si sta sviluppando su questa rivista intorno al libro di Antonello credo si veda bene una contrapposizione che mi capita spesso di rilevare nel dibattito nostrano: da un lato la sacrosanta irritazione verso un certo conservatorismo di sinistra e verso la lamentosa condanna “crisologica” della contemporaneità, atteggiamenti tanto diffusi quanto sterili; dall’altro una condivisibile preoccupazione: non diventeremo, per dirla con Milan Kundera, gli «allegri alleati dei nostri stessi becchini»? Nell’affrancarci da posizioni che sembrano obsolete, cosa ci rimane da contrapporre al dominio dell’ideologia mercantile e brutalmente quantitativa del neoliberismo?

  16. Selection patterns, gender and friendship aim in classroom networks.

    NARCIS (Netherlands)

    Baerveldt, Chris; Van de Bunt, Gerhard G.; Vermande, Marjolijn M.

    2014-01-01

    The social networks of students, and the underlying processes of selection, can have strong effects on their psychological and academic adjustment. The effects of gender, friendship aim (intimacy or social activities) and the combination of gender and friendship aim on selection patterns (student’s

  17. Patriotism, history and the legitimate aims of American education

    NARCIS (Netherlands)

    Merry, M.S.

    2009-01-01

    This article argues that while an attachment to one's country is both natural and even partially justifiable, cultivating loyal patriotism in schools is untenable insofar as it conflicts with the legitimate aims of education. These aims include the epistemological competence necessary for ascertaini

  18. Patriotism, History and the Legitimate Aims of American Education

    Science.gov (United States)

    Merry, Michael S.

    2009-01-01

    This article argues that while an attachment to one's country is both natural and even partially justifiable, cultivating loyal patriotism in schools is untenable insofar as it conflicts with the legitimate aims of education. These aims include the epistemological competence necessary for ascertaining important truths germane to the various…

  19. The Aims of Education and the Leap of Freedom

    Science.gov (United States)

    Yun, SunInn

    2014-01-01

    This paper considers the place of freedom in discussions of the aims of education. Bearing in mind remarks of R.S. Peters to the affect that the singling out of aims can "fall into the hands of rationalistically minded curriculum planners", it begins by considering the views of Roland Reichenbach regarding Bildung and his account of this…

  20. Selection patterns, gender and friendship aim in classroom networks.

    NARCIS (Netherlands)

    Baerveldt, Chris; Van de Bunt, Gerhard G.; Vermande, Marjolijn M.

    2014-01-01

    The social networks of students, and the underlying processes of selection, can have strong effects on their psychological and academic adjustment. The effects of gender, friendship aim (intimacy or social activities) and the combination of gender and friendship aim on selection patterns (student’s

  1. Patriotism, history and the legitimate aims of American education

    NARCIS (Netherlands)

    Merry, M.S.

    2009-01-01

    This article argues that while an attachment to one's country is both natural and even partially justifiable, cultivating loyal patriotism in schools is untenable insofar as it conflicts with the legitimate aims of education. These aims include the epistemological competence necessary for

  2. The Aims of Education and the Leap of Freedom

    Science.gov (United States)

    Yun, SunInn

    2014-01-01

    This paper considers the place of freedom in discussions of the aims of education. Bearing in mind remarks of R.S. Peters to the affect that the singling out of aims can "fall into the hands of rationalistically minded curriculum planners", it begins by considering the views of Roland Reichenbach regarding Bildung and his account of this…

  3. An Analysis of Aims and the Educational "Event"

    Science.gov (United States)

    den Heyer, Kent

    2015-01-01

    In this article, the author explores key distinctions relevant to aims talk in education. He argues that present formulations of aims fail to adequately capture or speak to several overlapping domains involved in schooling: qualification, socialization, and the educational in the form of subjectification (Biesta, 2010). Drawing off Egan and Biesta…

  4. Movement planning of video and of manual aiming movements.

    Science.gov (United States)

    Bédard, Patrick; Proteau, Luc

    2005-01-01

    We studied aiming performance of adults for video- and manual aiming tasks when they had visual information about the location of the starting base or when they had not. In video-aiming, foveating the starting base and then the target prior to movement initiation (Foveation) resulted in less aiming bias and variability than when the starting base was not visible (PNV), or visible without the participants foveating it prior to movement initiation (PSV). In manual aiming, Foveation and PSV procedures resulted in identical results but reduced aiming bias and variability in comparison to the PNV procedures. The results indicate that participants had difficulty in transforming the locations of the starting base and of the target when seen on a vertical screen into an appropriate movement trajectory. Successive foveation of the starting base and of the target facilitated this transformation, resulting in direction variability being reduced by more than half in comparison to the PNV and PSV conditions. This suggests that in video-aiming the efference copy of the saccade can be used by the CNS to approximate the hand trajectory in the workspace and/or in joint coordinates (Jouffrais and Boussaoud, 1999). Hand trajectory could be readily available in manual aiming if the target location can be recoded directly in hand-coordinates as recently suggested by Buneo et al. (2002).

  5. Implementation of an Anesthesia Information Management System (AIMS)

    Science.gov (United States)

    Douglas, James R.; Ritter, Melody J.

    2011-01-01

    During the administration of anesthesia, the anesthesia provider has historically created a paper record, charted manually, that included extensive patient care–related data (vital signs, other parameters, etc) and commentaries. DocuSys, a proprietary anesthesia information management system (AIMS), creates an electronic version of the anesthesia record and provides additional information. It electronically captures data from clinical monitors and other sources, including scheduling applications and laboratory computers. The AIMS facilitates chart entries such as drug doses and case narratives. Benefits of an AIMS include improved legibility of the anesthesia record and greater efficiency in documentation efforts. Use of the AIMS assists the practitioner with decision support logic, such as the timing of antibiotic administration and the inclusion of legally required documentation. Upon case completion, the AIMS data are immediately available to other information systems, such as billing and medical records. Data can be made available from a single case or, more important, from thousands of cases to analyze variables such as efficiency of services, adherence to best practices, patient outcomes, and clinical research. The AIMS was deployed at the main campus of the Ochsner Health System on March 26, 2009. In this article, we discuss the issues involved in the AIMS implementation process: the successes, surprises, and continued challenges. PMID:21734847

  6. Circulating AIM Prevents Hepatocellular Carcinoma through Complement Activation

    Directory of Open Access Journals (Sweden)

    Natsumi Maehara

    2014-10-01

    Full Text Available Hepatocellular carcinoma (HCC is a widespread fatal disease and the third most common cause of cancer deaths. Here, we show the potent anti-HCC effect of the circulating protein AIM. As in adipocytes, AIM is incorporated into normal hepatocytes, where it interferes with lipid storage. In contrast, AIM accumulates on the HCC cell surface and activates the complement cascade via inactivating multiple regulators of complement activation. This response provokes necrotic cell death specifically in AIM-bound HCC cells. Accordingly, AIM−/− mice were highly susceptible to steatosis-associated HCC development, whereas no AIM+/+ mouse developed the disease despite comparable liver inflammation and fibrosis in response to a long-term high-fat diet. Administration of AIM prevented tumor development in AIM−/− mice, and HCC induction by diethylnitrosamine was more prominent in AIM−/− than wild-type mice. These findings could be the basis for novel AIM-based therapeutic strategies for HCC.

  7. Implementation of an Anesthesia Information Management System (AIMS).

    Science.gov (United States)

    Douglas, James R; Ritter, Melody J

    2011-01-01

    During the administration of anesthesia, the anesthesia provider has historically created a paper record, charted manually, that included extensive patient care-related data (vital signs, other parameters, etc) and commentaries. DocuSys, a proprietary anesthesia information management system (AIMS), creates an electronic version of the anesthesia record and provides additional information. It electronically captures data from clinical monitors and other sources, including scheduling applications and laboratory computers. The AIMS facilitates chart entries such as drug doses and case narratives. Benefits of an AIMS include improved legibility of the anesthesia record and greater efficiency in documentation efforts. Use of the AIMS assists the practitioner with decision support logic, such as the timing of antibiotic administration and the inclusion of legally required documentation. Upon case completion, the AIMS data are immediately available to other information systems, such as billing and medical records. Data can be made available from a single case or, more important, from thousands of cases to analyze variables such as efficiency of services, adherence to best practices, patient outcomes, and clinical research. The AIMS was deployed at the main campus of the Ochsner Health System on March 26, 2009. In this article, we discuss the issues involved in the AIMS implementation process: the successes, surprises, and continued challenges.

  8. What’s Wrong with Aim-Oriented Empiricism?

    Directory of Open Access Journals (Sweden)

    Nicholas Maxwell

    2015-10-01

    Full Text Available For four decades it has been argued that we need to adopt a new conception of science called aim-oriented empiricism. This has far-reaching implications and repercussions for science, the philosophy of science, academic inquiry in general, the conception of rationality, and how we go about attempting to make progress towards as good a world as possible. Despite these far-reaching repercussions, aim-oriented empiricism has so far received scant attention from philosophers of science. Here, sixteen objections to the validity of the argument for aim-oriented empiricism are subjected to critical scrutiny.

  9. What is Wrong With Aim-Oriented Empiricism?

    CERN Document Server

    Maxwell, Nicholas

    2015-01-01

    For four decades it has been argued that we need to adopt a new conception of science called aim-oriented empiricism. This has far-reaching implications and repercussions for science, the philosophy of science, academic inquiry in general, the conception of rationality, and how we go about attempting to make progress towards as good a world as possible. Despite these far-reaching repercussions, aim-oriented empiricism has so far received scant attention from philosophers of science. Here, sixteen objections to the validity of the argument for aim-oriented empiricism are subjected to critical scrutiny.

  10. Gender Advertisements in Magazines Aimed at African Americans: A Comparison to Their Occurrence in Magazines Aimed at Caucasians.

    Science.gov (United States)

    McLaughlin, Tara L.; Goulet, Nicole

    1999-01-01

    Analyzed more than 200 magazines to compare advertisements in magazines aimed at African Americans with advertisements in magazines aimed at Caucasians. Discusses results in terms of the demand characteristics implicit in gender advertisements and in terms of cultural differences in gender role expectations. (Author/SLD)

  11. Americans aim to overhaul science teaching by 2061

    CERN Multimedia

    1990-01-01

    Project 2061 is a long-term initiative by the AAAS to reform classroom science. Deputy director Walter Gillespie claims that the aim is for schools to teach less content but teach it better (1/2 page).

  12. Mitochondrial ROS potentiates indirect activation of the AIM2 inflammasome

    Directory of Open Access Journals (Sweden)

    Deborah D Crane

    2014-08-01

    Full Text Available Activation of the inflammasome is important for the detection and clearance of cytosolic pathogens. In contrast to avirulent F. novicida (Fn, infection with virulent F. tularensis ssp tularensis does not trigger activation of the host AIM2 inflammasome. Here we show that differential activation of AIM2 following Francisella infection is due to sensitivity of each isolate to reactive oxygen species (ROS. ROS present at the outset of Fn infection contributes to activation of the AIM2 inflammasome, independent of NLRP3 and NADPH oxidase. Rather, mitochondrial ROS (mROS is critical for Fn stimulation of the inflammasome. This study represents the first demonstration of the importance of mROS in the activation of the AIM2 inflammasome by bacteria. Our results also demonstrate that bacterial resistance to mROS is a mechanism of virulence for early evasion of detection by the host.

  13. Refractive aim and visual outcome after phacoemulsification: A 2 ...

    African Journals Online (AJOL)

    2016-03-24

    Mar 24, 2016 ... Aim: To review the short‑term visual outcome of phacoemulsification in adults with uncomplicated ... social consequences.[2] In a ... visual impairment, respectively. ... skills and experience, who form the group practice, did the.

  14. Psychoneuroendocrine interventions aimed at attenuating immunosenescence: a review

    NARCIS (Netherlands)

    Bauer, M.E.; Muller, G.C.; Correa, B.L.; Vianna, P.; Turner, J.E.; Bosch, J.A.

    2013-01-01

    There is evidence suggesting that immunosenescence can be accelerated by external factors such as chronic stress. Here we review potential psychoneuroendocrine determinants of premature aging of the immune system and discuss available interventions aimed at attenuating immunosenescence. Chronic

  15. Psychoneuroendocrine interventions aimed at attenuating immunosenescence: a review

    NARCIS (Netherlands)

    Bauer, M.E.; Muller, G.C.; Correa, B.L.; Vianna, P.; Turner, J.E.; Bosch, J.A.

    2013-01-01

    There is evidence suggesting that immunosenescence can be accelerated by external factors such as chronic stress. Here we review potential psychoneuroendocrine determinants of premature aging of the immune system and discuss available interventions aimed at attenuating immunosenescence. Chronic stre

  16. Toolkit for local decision makers aims to strengthen environmental sustainability

    CSIR Research Space (South Africa)

    Murambadoro, M

    2011-11-01

    Full Text Available Members of the South African Risk and Vulnerability Atlas were involved in a meeting aimed at the development of a toolkit towards improved integration of climate change into local government's integrated development planning (IDP) process....

  17. Ethics and aims in psychotherapy: a contribution from Kant.

    Science.gov (United States)

    Callender, J S

    1998-08-01

    Psychotherapy is an activity which takes many forms and which has many aims. The present paper argues that it can be viewed as a form of moral suasion. Kant's concepts of free will and ethics are described and these are then applied to the processes and outcome of psychotherapy. It is argued that his ideas, by linking rationality, free will and ethics into a single philosophical system, offer a valuable theoretical framework for thinking about aims and ethical issues in psychotherapy.

  18. [Content analysis of food adverts aimed at children].

    Science.gov (United States)

    Ponce-Blandón, José Antonio; Pabón-Carrasco, Manuel; Lomas-Campos, María de Las Mercedes

    To determine the contents and persuasive techniques used in processed food adverts aimed at children in Andalusia, comparing them with those aimed at adults. Study based on advert content analysis with two phases: a descriptive design phase and an analytical observational design phase. A sample of adverts from 60hours of broadcasting from the two most watched television channels in Andalusia. A total of 416 food and non-alcoholic beverage adverts were obtained, for 91 different products. Approximately 42.9% (n=39) was aimed at children and 53.8% (n=49) were products classified as "unhealthy". Unhealthy foods were more common in adverts for children (p <0.001). Significant differences were found between the ads aimed at adults and those aimed at children. Emotional and irrational persuasive resources such as fantasy (p <0.001), cartoons (p <0.001) or offering gifts with the purchase of the product (p=0.003) were observed more frequently in adverts for children. Food advertising aimed at children in Andalusia is mainly based on offering products with a low nutritional value and using persuasive resources based on fantasy or gifts. The message is focused on the incentive and not the food. More effective measures than the current self-regulatory systems must be put in place to counter these distorted adverts. Copyright © 2017 SESPAS. Publicado por Elsevier España, S.L.U. All rights reserved.

  19. Synthesis of ceramics membranes using ZrO{sub 2} obtained by Pechini method aiming it application in oil/water separation; Sintese de membranas ceramicas utilizando ZrO{sub 2} obtido pelo metodo Pechini visando sua aplicacao na separacao oleo/agua

    Energy Technology Data Exchange (ETDEWEB)

    Maia, D.F.; Lira, H.L.; Vilar, M.A.; Costa, A.C.F.M.; Oliveira, J.B.L.; Kiminami, R.H.G.A.; Gama, L.

    2004-07-01

    The water produced in the oil production presents emulsified oil drops of difficult separation causing problems in the reinjection and the discarding. The conventional methods used in the separation oil/water don't clean all the water with efficiency and low cost. Thus, the ceramic membranes appear as a new option for being material very resistant chemistry and thermal, of high perm selective and high efficiency in use in processes of micro filtration and ultrafiltration separation. The zirconia is considered an adequate material to obtain of such membranes and the Pechini method is one promising technique in the attainment of after ultrafine with controlled characteristics. Thus the objective of this work was to prepare ceramic membranes from after synthesized by the Pechini method. The results had shown that the Pechini method was efficient in the attainment of ZrO{sub 2} powder, nanometric, with size of crystal of 7,2 nm and with average diameter of agglomerated 4,94{mu}, indicating that this material can be used in the attainment of membranes of micro filtration and ultrafiltration, adjusted to the separation oil/water The micrographs of the obtained membranes show a homogeneous surface where if it can visualize pores uniformly distributed. (author)

  20. An automated model-based aim point distribution system for solar towers

    Science.gov (United States)

    Schwarzbözl, Peter; Rong, Amadeus; Macke, Ansgar; Säck, Jan-Peter; Ulmer, Steffen

    2016-05-01

    Distribution of heliostat aim points is a major task during central receiver operation, as the flux distribution produced by the heliostats varies continuously with time. Known methods for aim point distribution are mostly based on simple aim point patterns and focus on control strategies to meet local temperature and flux limits of the receiver. Lowering the peak flux on the receiver to avoid hot spots and maximizing thermal output are obviously competing targets that call for a comprehensive optimization process. This paper presents a model-based method for online aim point optimization that includes the current heliostat field mirror quality derived through an automated deflectometric measurement process.

  1. Uncertainty in aiming movements and its association to hand function

    Directory of Open Access Journals (Sweden)

    Flávia Priscila de Paiva Silva

    2015-09-01

    Full Text Available AbstractThe purpose of this study was to analyze the influence of the uncertainty of target location on the planning and execution of aiming movements performed towards the ipsilateral and contralateral directions by the right and left upper limbs. In addition, the association between the performance of aiming movements and the performance of functional manual tasks was investigated. Two tasks were proposed: with prior knowledge of the movement direction (simple reaction time or not (choice reaction time. The grip strength and manual dexterity were measured. The choice option in response (i.e. uncertainty influenced planning of the aiming movements, but not its execution, while movements performed towards the contralateral direction were worse in execution as compared to the ipsilateral direction. Manual dexterity was significantly correlated with reaction times, while the performance during movement execution was significantly correlated with handgrip/pinch strength.

  2. System of teaching tasks aimed at training the skill of making medical choices through the clinical method Sistema de tareas docentes para la formación de la habilidad toma de decisiones médicas mediante el método clínico

    Directory of Open Access Journals (Sweden)

    Alfredo Espinosa Brito

    2010-12-01

    Full Text Available Being able of making medical choices is an essential skill for those who have received a Doctor of Medicine Degree. This article presents a system of teaching tasks aimed at training such skills in medicine students. The essential content of the article is divided into four parts. The first one outlines the general structure of the teaching task, the second one presents the elaborated task system, the third one describes the didactic moments for the implementation of the tasks system and, finally, the fourth one shows some additional methodological considerations. The system of teaching tasks to train the skill of making medical choices in medicine students has been conceived as a knowledge that can undergo changes and corrections arising from criticism and its own process of implementationLa toma de decisiones médicas constituye una habilidad esencial para el médico general integral básico. En este artículo se presenta un sistema de tareas docentes dirigido a la formación de dicha habilidad en la carrera de Medicina. El contenido esencial del artículo está distribuido en cuatro acápites. En el primero se expone la estructura general de la tarea docente asumida; en el segundo se presenta el sistema de tareas elaborado; en el tercer acápite se describen los momentos didácticos para la aplicación del sistema de tareas y, por último, son expuestas algunas consideraciones metodológicas adicionales para su utilización. El sistema de tareas docentes para la formación de la habilidad toma de decisiones médicas ha sido concebido como un conocimiento sujeto a las transformaciones y correcciones que se deriven de la crítica y de su aplicación.

  3. Aiming for a College Education: A Strategy for Scotland.

    Science.gov (United States)

    McPherson, Andrew; And Others

    The report reviews British Petroleum's "Aiming for College Education" program in Scotland, a 5-year program to raise the aspirations of young people for post-compulsory education and for higher education in particular. The program invites local higher education institutions to consider initiatives in four areas (promotion and marketing,…

  4. Aims and Formats of performance measurement at Danish Universities

    DEFF Research Database (Denmark)

    Raffnsøe-Møller, Morten

    2011-01-01

    Abstract This article traces the aims and formats of performance measurement of Danish Universities as they originate from the Ministry of Finance’s plan for governance of the public sector. The article further show that the fierce conflicts between central administration and the universities over...

  5. Philosophical Analysis, Research on Teaching, and Aim-Oriented Empiricism.

    Science.gov (United States)

    Popp, Jerome A.

    1980-01-01

    An attempt is made at providing cohesion and structure for a range of disparate activities and examining their interrelationships. Among concepts considered are: (1) the relationship of philosophic analysis in education; (2) the nature of pedagogical research; (3) the process-product paradigm; (4) aim-oriented empiricism; (5) the reduction thesis;…

  6. Advanced Industrial Materials (AIM) Program: Annual progress report FY 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-04-01

    In many ways, the Advanced Industrial Materials (AIM) Program underwent a major transformation in Fiscal Year 1995 and these changes have continued to the present. When the Program was established in 1990 as the Advanced Industrial Concepts (AIC) Materials Program, the mission was to conduct applied research and development to bring materials and processing technologies from the knowledge derived from basic research to the maturity required for the end use sectors for commercialization. In 1995, the Office of Industrial Technologies (OIT) made radical changes in structure and procedures. All technology development was directed toward the seven ``Vision Industries`` that use about 80% of industrial energy and generated about 90% of industrial wastes. The mission of AIM has, therefore, changed to ``Support development and commercialization of new or improved materials to improve productivity, product quality, and energy efficiency in the major process industries.`` Though AIM remains essentially a National Laboratory Program, it is essential that each project have industrial partners, including suppliers to, and customers of, the seven industries. Now, well into FY 1996, the transition is nearly complete and the AIM Program remains reasonably healthy and productive, thanks to the superb investigators and Laboratory Program Managers. This Annual Report for FY 1995 contains the technical details of some very remarkable work by the best materials scientists and engineers in the world. Areas covered here are: advanced metals and composites; advanced ceramics and composites; polymers and biobased materials; and new materials and processes.

  7. [Patient's aggression aimed at physicians. Legal interpretation of defense possibilities].

    Science.gov (United States)

    Patryn, Rafał

    2013-01-01

    The aim of the following study is to acquaint medical practitioners with legal possibilities of defense against patients'aggression. The occurrence of the described and discussed issue, namely the appearance of different forms of aggression aimed at physicians and other medical staff is a more and more frequently appearing phenomenon, which is very problematic, and difficult to interpret. The scope of the analysis has been limited to aggression of patients towards physicians only, as they are most often the aim of this aggression, and what should be emphasized, they lack practical and universal solutions and frequently also necessary knowledge to protect themselves against it. The idea behind this study is to present a rational solution to the afore mentioned situation, within legal limits. First, an outline of a conflict situation with a short specification of sources of aggression will be presented, than an appropriate legal taxonomy (including civil and criminal law) allowing for aid in such a situation will be offered and discussed.The authors will also present practical and legally permissible solutions aiming at defense, abandonment, and not allowing for the appearance of this reprehensible phenomenon.

  8. Advanced Industrial Materials (AIM) Program annual progress report, FY 1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-05-01

    The Advanced Industrial Materials (AIM) Program is a part of the Office of Industrial Technologies (OIT), Energy Efficiency and Renewable Energy, US Department of Energy (DOE). The mission of AIM is to support development and commercialization of new or improved materials to improve energy efficiency, productivity, product quality, and reduced waste in the major process industries. OIT has embarked on a fundamentally new way of working with industries--the Industries of the Future (IOF) strategy--concentrating on the major process industries that consume about 90% of the energy and generate about 90% of the waste in the industrial sector. These are the aluminum, chemical, forest products, glass, metalcasting, and steel industries. OIT has encouraged and assisted these industries in developing visions of what they will be like 20 or 30 years into the future, defining the drivers, technology needs, and barriers to realization of their visions. These visions provide a framework for development of technology roadmaps and implementation plans, some of which have been completed. The AIM Program supports IOF by conducting research and development on materials to solve problems identified in the roadmaps. This is done by National Laboratory/industry/university teams with the facilities and expertise needed to develop new and improved materials. Each project in the AIM Program has active industrial participation and support.

  9. Anxiety and ironic effects in aiming at a far target

    NARCIS (Netherlands)

    Bakker, F.C.; Binsch, O.

    2011-01-01

    In far aiming the negative intention not to miss may ironically increase the tendency to do precisely that. Although cognitive constraints enhance the occurrence of ironic effects in the perceptual-motor domain the role of anxiety in inducing such effects has rarely been investigated while anxiety i

  10. Autonomy as the Guiding Aim of Entrepreneurship Education

    Science.gov (United States)

    van Gelderen, Marco

    2010-01-01

    Purpose: This paper has three purposes: first, to present a vision of entrepreneurship education that has the student's capacity for autonomous action as its ultimate aim; second, to convince the reader of the timeliness and relevance of such an approach; third, to outline how this can be implemented. Design/methodology/approach: The paper…

  11. Why the Aims of Education Cannot Be Settled

    Science.gov (United States)

    Hardarson, Atli

    2012-01-01

    The dominant model of curriculum design in the last century assumed that school education could be organized around aims, defined primarily in terms of students' behaviour. The credentials of this model were questioned by, among others, Lawrence Stenhouse, who pointed out that education serves purposes that cannot be stated in terms of behavioural…

  12. MayDay Colloquium 24: The Aims of Music Education

    Science.gov (United States)

    Elliott, David J.

    2013-01-01

    On June 20, 2012, Professor John Kratus welcomed the MayDay Group to Michigan State University for "Colloquium 24: The Aims of Music Education". On behalf of all members of the Mayday Group, the author wishes to extend his deepest gratitude to Professor Kratus and his colleagues at Michigan State for their extremely gracious and…

  13. Goal-Directed Aiming: Two Components but Multiple Processes

    Science.gov (United States)

    Elliott, Digby; Hansen, Steve; Grierson, Lawrence E. M.; Lyons, James; Bennett, Simon J.; Hayes, Spencer J.

    2010-01-01

    This article reviews the behavioral literature on the control of goal-directed aiming and presents a multiple-process model of limb control. The model builds on recent variants of Woodworth's (1899) two-component model of speed-accuracy relations in voluntary movement and incorporates ideas about dynamic online limb control based on prior…

  14. Do Normative Judgements Aim to Represent the World?

    NARCIS (Netherlands)

    Streumer, Bart

    2013-01-01

    Many philosophers think that normative judgements do not aim to represent the world. In this paper, I argue that this view is incompatible with the thought that when two people make conflicting normative judgements, at most one of these judgements is correct. I argue that this shows that normative j

  15. The Aims of Sex Education: Demoting Autonomy and Promoting Mutuality

    Science.gov (United States)

    McAvoy, Paula

    2013-01-01

    In this essay, Paula McAvoy critiques a commonly held view that teaching young people to be good choice makers should be a central aim of sex education. Specifically, she argues against David Archard's recommendation that sex educators ought to focus on the development of autonomy and teaching young people that "choice should be accorded…

  16. Do Normative Judgements Aim to Represent the World?

    NARCIS (Netherlands)

    Streumer, Bart

    2013-01-01

    Many philosophers think that normative judgements do not aim to represent the world. In this paper, I argue that this view is incompatible with the thought that when two people make conflicting normative judgements, at most one of these judgements is correct. I argue that this shows that normative j

  17. Competing for space in an already crowded market: a mixed methods study of why an online community of practice (CoP) for alcohol harm reduction failed to generate interest amongst the group of public health professionals at which it was aimed.

    Science.gov (United States)

    Ponsford, Ruth; Ford, Jennifer; Korjonen, Helena; Hughes, Emma; Keswani, Asha; Pliakas, Triantafyllos; Egan, Matt

    2017-07-21

    Improving mechanisms for knowledge translation (KT) and connecting decision-makers to each other and the information and evidence they consider relevant to their work remains a priority for public health. Virtual communities of practices (CoPs) potentially offer an affordable and flexible means of encouraging connection and sharing of evidence, information and learning among the public health community in ways that transgress traditional geographical, professional, institutional and time boundaries. The suitability of online CoPs in public health, however, has rarely been tested. This paper explores the reasons why particular online CoP for alcohol harm reduction hosted by the UK Health Forum failed to generate sufficient interest from the group of public health professionals at which it was aimed. The study utilises online web-metrics demonstrating a lack of online activity on the CoP. One hundred and twenty seven responses to an online questionnaire were used to explore whether the lack of activity could be explained by the target audience's existing information and evidence practices and needs. Qualitative interviews with 10 members describe in more detail the factors that shape and inhibit use of the virtual CoP by those at which it was targeted. Quantitative and qualitative data confirm that the target audience had an interest in the kind of information and evidence the CoP was set up to share and generate discussion about, but also that participants considered themselves to already have relatively good access to the information and evidence they needed to inform their work. Qualitative data revealed that the main barriers to using the CoP were a proliferation of information sources meaning that participants preferred to utilise trusted sources that were already established within their daily routines and a lack of time to engage with new online tools that required any significant commitment. Specialist online CoPs are competing for space in an already crowded

  18. 教育资源网格模型及副本创建策略%Education Resource Grid Model and Replica Creation Strategies

    Institute of Scientific and Technical Information of China (English)

    邢长明; 刘方爱; 杨林; 厉文

    2009-01-01

    教育资源网格是解决目前分布式教育资源共享问题的有效手段.针对中小学教育资源共享问题,提出了层次式的教育资源网格模型,定义了各层节点的功能.通过与欧洲数据网格对比,分析了教育资源网格的特点.基于层次式的教育资源网格,对影响副本创建策略性能的因素进行了分析,然后引入网络带宽和文件大小两个参数,提出了一种动态副本创建策略(dynamic replica creation strategy,简称EDRS).利用数据网格模拟工具OptorSim构建了教育资源网格虚拟环境,分析比较了EDRS策略与Caching-LRU策略、Caching-LFU策略和基于经济模型的副本创建策略的性能.最后,综合各项指标分析了不同策略对教育资源网格系统性能的影响.结果表明,EDRS策略在教育资源网格应用中有着更好的系统性能.%The education resource grid is an effective measure to solve the problem of sharing distributed education resources at present. First, with regard to the education resource sharing in secondary and elementary schools, a hierarchy model of education resource grid is proposed and the functions of nodes in each layer are defined in this paper. By comparing with the European Data Grid, the education resource grid is analyzed with its characteristics. Then based on the hierarchy grid model, some factors, which influence the performance of replica creation strategy, are analyzed and a dynamic replica creation strategy (EDRS) is proposed by introducing two parameters, i.e., the network bandwidth and file size. With the data grid simulation tool OptorSim, the performances of EDRS with Caching-LRU, Caching-LFU and the economic model strategy are compared respectively. At last, the influence of different strategies on the performance of the education resource grid system is analyzed by synthesizing each parameter. The result indicates that the EDRS has a better system performance in applications of the education resource

  19. [Aiming at the chest, but hitting the back].

    Science.gov (United States)

    Zech, Wolf-Dieter; Axmann, Stefan; Siegenthaler, Lea; Kneubühl, Beat; Thali, Michael

    2011-01-01

    Gunshot injuries in the back may suggest the unjustified use of firearms. A wound in the back inflicted by a firearm should not automatically imply that the shooter aimed at the back. A previous study demonstrated that it is possible for men to turn their trunk faster than it takes for a shooter to fire or throw a hand-operated weapon. With a high speed motion camera the authors were able to demonstrate that it is also possible for women to turn their trunk fast enough, so that a shot in the back could have been aimed at the front of the body. This conclusion is also likely to apply to hand-operated or thrown weapons, since the velocity of their projectiles is considerably lower than that of firearms.

  20. Learning object for teacher training aimed to develop communication skills

    Directory of Open Access Journals (Sweden)

    Norma Esmeralda RODRÍGUEZ RAMÍREZ

    2014-06-01

    Full Text Available This article presents the results and reflections obtained across a research aimed to analyze the quality criteria of an opened learning object oriented to develop communication skills in order to be able to report and validate it according to its content, pedagogic structure, technological structure, graphical and textual language and usability to teacher training, in order to base it theoretically, pedagogically and technologically. The research question was: Which are the quality criteria that a learning object aimed to develop communication skills must cover? Under a quantitative approach, there were electronic questionnaires applied to: 34 Technological University teachers, eight experts about of communicative competence, teaching, technology and graphic design. The results indicated that some of the quality criteria of learning object are: the effective managing of the learning content, the balanced composition of his pedagogic structure, the technological structure efficiency and the proper managing of graphical and textual language.

  1. Action Information Management System (AIMS): a User's View

    Science.gov (United States)

    Wiskerchen, M.

    1984-01-01

    The initial approach used in establishing a user-defined information system to fulfill the needs of users at NASA Headquarters was unsuccessful in bringing this pilot endeaveor to full project status. The persistence of several users and the full involvement of the Ames Research Center were the ingredients needed to make the AIMS project a success. The lesson learned from this effort is that NASA should always work from its organizational strengths as a Headquarters-Center partnership.

  2. Implementation of an Anesthesia Information Management System (AIMS)

    OpenAIRE

    Douglas, James R.; Ritter, Melody J.

    2011-01-01

    During the administration of anesthesia, the anesthesia provider has historically created a paper record, charted manually, that included extensive patient care–related data (vital signs, other parameters, etc) and commentaries. DocuSys, a proprietary anesthesia information management system (AIMS), creates an electronic version of the anesthesia record and provides additional information. It electronically captures data from clinical monitors and other sources, including scheduling applicati...

  3. Initiation Style Optimization of Aimed Warhead by Numerical Simulation

    Institute of Scientific and Technical Information of China (English)

    WEI Ji-feng; LI Na; WEN Yu-quan; WANG Wen-jie

    2008-01-01

    The kill characteristics of aimed warhead were studied.Emphasis on the improvement of initiation system,experiments and three dimensional numerical investigations were carried out.Simulation results of side three initiation points fit experiments well.Optimal initiation style is obtained through further simulation.It shows that the effective fragments and the effective kill energy of the optimal scheme increase 12.8%and 10.1%respectively.

  4. Implementation of an Anesthesia Information Management System (AIMS)

    OpenAIRE

    Douglas, James R.; Ritter, Melody J.

    2011-01-01

    During the administration of anesthesia, the anesthesia provider has historically created a paper record, charted manually, that included extensive patient care–related data (vital signs, other parameters, etc) and commentaries. DocuSys, a proprietary anesthesia information management system (AIMS), creates an electronic version of the anesthesia record and provides additional information. It electronically captures data from clinical monitors and other sources, including scheduling applicati...

  5. Refractive aiming corrections for satellite observation of stars

    Energy Technology Data Exchange (ETDEWEB)

    Vittitoe, C.N.; Schmidt, R.L.

    1997-03-01

    Standard references describe how apparent zenith angles differ from true zenith angles for observers on the Earth. In fact, correction formulae are available for aiming Earth-based sensors at stars; some corrections give variations as a function of observer altitude. Such corrections have not been available for observers in space. This report develops formulae appropriate for proper aiming from space-based sensors toward the relatively few stars that are near the Earth`s limb at any given time. These formulae correct for refractive effects and may be critical for steerable space-borne sensors with fields of view less than one degree, tasked to observe starlight passing near the Earth`s surface. Ray tracing in the U.S. Standard Atmosphere, 1976 including H{sub 2}O effects, is used to determine relations between the refracted tangent height, the apparent tangent height resulting from observation at the sensor, and the angle through which the detected rays have deviated. Analytic fits of the ray deviation as a function of apparent tangent height allows quick determination of corrections needed for a space-borne sensor. Using those results that apply in the plane of incidence and using the necessary coordinate rotations, alterations in the star`s apparent right ascension and declination are evaluated to improve the aim. Examples illustrate that alterations can be larger than one degree, with effects lasting up to a few minutes.

  6. Cultural adaptation and validation of a German version of the Arthritis Impact Measurement Scales (AIMS2).

    NARCIS (Netherlands)

    Rosemann, T.J.; Szecsenyi, J.

    2007-01-01

    OBJECTIVE: To validate a translated and culturally adapted version of the Arthritis Impact Measurement Scale (AIMS) 2 in primary care patients with osteoarthritis (OA) of the hip and knee. METHOD: The AIMS2 was translated into German and culturally adapted. The questionnaire then was administered to

  7. Internet Use with Learning Aim: Views of German Language Pre-Service Teachers

    Science.gov (United States)

    Yucel, Mukadder Seyhan

    2011-01-01

    The aim of this study is to indicate the views of teacher candidates of German Language Department at Education Faculty, Trakya University about the use of internet with the aim of learning. This study was designed as phenomenology which is one of the qualitative research methods. The study data were obtained via semi-constructed interview…

  8. Accuracy and benefits of 3D bone surface modelling: a comparison of two methods of surface data acquisition reconstructed by laser scanning and computed tomography outputs.

    Science.gov (United States)

    Brzobohatá, Hana; Prokop, Josef; Horák, Martin; Jancárek, Alexandr; Velemínská, Jana

    2012-09-01

    The aim of this study is to compare two different methods of frontal bone surface model acquisition. Three dimensional models acquired by laser scanning were compared with models of the same bones acquired by virtual replicas reconstructed from a sequence of computed tomography (CT) images. The influence of volumetric CT data processing (namely thresholding), which immediately preceded the generation of the three-dimensional surface model, was also considered and explored in detail in one sample. Despite identifying certain areas where both models showed deviations across all samples, their conformity can be generally classified as satisfactory, and the differences can be regarded as minimal. The average deviation of registered surface models was 0.27 mm for 90% of the data, and its value was therefore very close to the resolution of the laser scanner used.

  9. The AI&M procedure for learning from incomplete data

    DEFF Research Database (Denmark)

    Jaeger, Manfred

    2006-01-01

    We investigate methods for parameter learning from incomplete data that is not missing at random. Likelihood-based methods then require the optimization of a profile likelihood that takes all possible missingness mechanisms into account. Optimizing this profile likelihood poses two main difficult...

  10. Process evaluation of a workplace health promotion intervention aimed at improving work engagement and energy balance

    NARCIS (Netherlands)

    Berkel, J. van; Boot, C.R.L.; Proper, K.I.; Bongers, P.M.; Beek, A.J. van der

    2013-01-01

    OBJECTIVE:: To evaluate the process of the implementation of an intervention aimed at improving work engagement and energy balance, and to explore associations between process measures and compliance. METHODS:: Process measures were assessed using a combination of quantitative and qualitative

  11. Nanotechnology for forensic sciences: analysis of PDMS replica of the case head of spent cartridges by optical microscopy, SEM and AFM for the ballistic identification of individual characteristic features of firearms.

    Science.gov (United States)

    Valle, Francesco; Bianchi, Michele; Tortorella, Silvia; Pierini, Giovanni; Biscarini, Fabio; D'Elia, Marcello

    2012-10-10

    A novel application of replica molding to a forensic problem, viz. the accurate reproduction of the case head of gun and rifle cartridges, prior and after been shot, is presented. The fabrication of an arbitrary number of identical copies of the region hit by the firing pin and by the breech face is described. The replicas can be (i) handled without damaging the original evidence, (ii) distributed to different law enforcement agencies for comparison against other evidences found on crime scenes or ballistic tests of seized firearms, (iii) maintained on a file by the laboratories. A detailed analysis of the morphological features of the replicas has been carried out by standard microscopy techniques as well as by advanced microscopy such as scanning probe and scanning electron leading to a quantitative morphological characterization of the case heads down to the nanometer scale. The assignment of the cartridge replicas to the shooting weapon is demonstrated to hold below the micron scale, while it is hindered at the nanometer level both by the manufacturing differences and by eventual modifications occurring on the firing pin.

  12. SEM/EDX and vis spectrophotometry study of the stability of resin-bound mortars used for casting replicas and filling missing parts of historic stone fountains.

    Science.gov (United States)

    Roig-Salom, José-Luis; Doménech-Carbó, María-Teresa; de la Cruz-Cañizares, Juana; Bolívar-Galiano, Fernando; Pelufo-Carbonell, María-José; Peraza-Zurita, Yaiza

    2003-04-01

    A study by SEM/EDX and spectrophotometry in the visible region attempting to assess the stability of new resin-bound mortars used for casting replicas of marble historic fountains is presented in this paper. Different accelerating tests such as thermal ageing, UV light ageing, ageing in an SO(2) pollutant chamber, freezing cycles ageing, salt crystallisation ageing, natural ageing and biological attack have been applied to a series of test specimens prepared with polyester-, epoxy- and gel-coat-bound mortars. Examination of morphology, measurement of chemical composition and chromatic coordinates before and after ageing treatments establish the higher stability and resistance properties of these resin-bound mortars by comparison to those from the natural marbles.

  13. Oligomer Formation of Amyloid-β(29-42) from Its Monomers Using the Hamiltonian Replica-Permutation Molecular Dynamics Simulation.

    Science.gov (United States)

    Itoh, Satoru G; Okumura, Hisashi

    2016-07-14

    Oligomers of amyloid-β peptides (Aβ) are formed during the early stage of the amyloidogenesis process and exhibit neurotoxicity. The oligomer formation process of Aβ and even that of Aβ fragments are still poorly understood, though understanding of these processes is essential for remedying Alzheimer's disease. In order to better understand the oligomerization process of the C-terminal Aβ fragment Aβ(29-42) at the atomic level, we performed the Hamiltonian replica-permutation molecular dynamics simulation with Aβ(29-42) molecules using the explicit water solvent model. We observed that oligomers increased in size through the sequential addition of monomers to the oligomer, rather than through the assembly of small oligomers. Moreover, solvent effects played an important role in this oligomerization process.

  14. Replica symmetry breaking in the critical behavior in the m-component ferromagnetic spin systems with a short-range disorder

    Science.gov (United States)

    Wu, Xin-tian

    We investigate the replica symmetry breaking (RSB) in m-component ferromagnetic spin systems with a short-range disorder. Using ε-expansion the Landau-Ginzburg Hamiltonian with a RSB quartic interaction term is studied, where ε=4- d, d is the spatial dimension. The differential recursion relations of renormalization group (RG) are derived to the second order of ε. The replicon eigenvalue, which is a simple way to investigate the stability with respect to the continuous RSB modes, is defined. The fixed points and their eigenvalues are obtained. For m mc, we find a stable fixed point, which is not only stable in the one-step RSB subspace but also stable with respect to the continuous RSB. However, it is unphysical. For m> mc only the pure fixed point is physical and stable.

  15. Hierarchical control of porous silica by pH adjustment: Alkyl polyamines as surfactants for bimodal silica synthesis and its carbon replica

    Science.gov (United States)

    Abellán, G.; Carrillo, A. I.; Linares, N.; Serrano, E.; García-Martínez, J.

    2009-08-01

    Bimodal macro-mesoporous silica networks have been prepared in a simple one-pot synthesis using an inexpensive tetramine surfactant and tetraethoxysilane as a silica precursor. These novel materials show high pore volumes and templated mesopores (average pore size 3.0 nm) embedded in 20 nm thick walls forming interparticle large meso/macropores. The judicious control of the pH during the silica formation allows for the precise control of the interparticle condensation, likely due to the change in the interaction between the tetramine surfactant and the silica precursors. Finally, a highly porous carbon replica with bimodal porosity was prepared by using the bimodal silica as a hard sacrificial template. The microstructure of the silica template was accurately transferred to the carbon material obtaining high surface areas (up to 1300 m 2 g -1) and total pore volumes ≥2 cm 3 g -1.

  16. Interface free-energy exponent in the one-dimensional Ising spin glass with long-range interactions in both the droplet and broken replica symmetry regions

    Science.gov (United States)

    Aspelmeier, T.; Wang, Wenlong; Moore, M. A.; Katzgraber, Helmut G.

    2016-08-01

    The one-dimensional Ising spin-glass model with power-law long-range interactions is a useful proxy model for studying spin glasses in higher space dimensions and for finding the dimension at which the spin-glass state changes from having broken replica symmetry to that of droplet behavior. To this end we have calculated the exponent that describes the difference in free energy between periodic and antiperiodic boundary conditions. Numerical work is done to support some of the assumptions made in the calculations and to determine the behavior of the interface free-energy exponent of the power law of the interactions. Our numerical results for the interface free-energy exponent are badly affected by finite-size problems.

  17. Balloon-Borne System Would Aim Instrument Toward Sun

    Science.gov (United States)

    Polites, M. E.

    1992-01-01

    Proposed system including digital control computer, control sensors, and control actuators aims telescope or other balloon-borne instrument toward Sun. Pointing system and instrument flown on gondola, suspended from balloon. System includes reaction wheel, which applies azimuthal control torques to gondola, and torque motor to apply low-frequency azimuthal torques between gondola and cable. Three single-axis rate gyroscopes measure yaw, pitch, and roll. Inclinometer measures roll angle. Two-axis Sun sensor measures deviation, in yaw and pitch, of attitude of instrument from line to apparent center of Sun. System provides initial coarse pointing, then maintains fine pointing.

  18. NASA tells physicists to aim for the stars

    CERN Multimedia

    MacIlwain, C

    1999-01-01

    Dan Goldin, administrator at NASA, suggested that the next generation of instruments for high-energy physics research should be built in space. This did not go down well at Fermilab where a case is being made for a new ground-based accelerator. Goldin's aim though was simply to tell the scientific community that NASA is prepared to spend big money on physics in space. NASA also wants to work more closely with the DOE and the NSF to support space-based experiments (1 page).

  19. Mimicking the action of folding chaperones by Hamiltonian replica-exchange molecular dynamics simulations: application in the refinement of de novo models.

    Science.gov (United States)

    Fan, Hao; Periole, Xavier; Mark, Alan E

    2012-07-01

    The efficiency of using a variant of Hamiltonian replica-exchange molecular dynamics (Chaperone H-replica-exchange molecular dynamics [CH-REMD]) for the refinement of protein structural models generated de novo is investigated. In CH-REMD, the interaction between the protein and its environment, specifically, the electrostatic interaction between the protein and the solvating water, is varied leading to cycles of partial unfolding and refolding mimicking some aspects of folding chaperones. In 10 of the 15 cases examined, the CH-REMD approach sampled structures in which the root-mean-square deviation (RMSD) of secondary structure elements (SSE-RMSD) with respect to the experimental structure was more than 1.0 Å lower than the initial de novo model. In 14 of the 15 cases, the improvement was more than 0.5 Å. The ability of three different statistical potentials to identify near-native conformations was also examined. Little correlation between the SSE-RMSD of the sampled structures with respect to the experimental structure and any of the scoring functions tested was found. The most effective scoring function tested was the DFIRE potential. Using the DFIRE potential, the SSE-RMSD of the best scoring structures was on average 0.3 Å lower than the initial model. Overall the work demonstrates that targeted enhanced-sampling techniques such as CH-REMD can lead to the systematic refinement of protein structural models generated de novo but that improved potentials for the identification of near-native structures are still needed.

  20. Structural and thermodynamics characters of isolated α-syn12 peptide: long-time temperature replica-exchange molecular dynamics in aqueous solution

    Institute of Scientific and Technical Information of China (English)

    Zanxia Cao; Lei Liu; Ping Wu; Jihua Wang

    2011-01-01

    The structural and thermodynamics characters of α-syn12 (residues 1-12 of the human α-synuclein protein) peptide in aqueous solution were investigated through temperature replica-exchange molecular dynamics (T-REMD) simulations with the GROMOS 43A1 force field. The two independent T-REMD simulations were completed starting from an initial conformational α-helix and an irregular structure,respectively. Each replica was run for 300ns. The structural and thermodynamics characters were studied based on parameters such as distributions of backbone dihedral angles, free energy surface, stability of folded β-hairpin structure, and favorite conformations. The results showed that the isolated α-syn12 peptide in water adopted four different conformational states: the first state was a β-hairpin ensemble with Turno-6 and four hydrogen bonds, the second state was a β-hairpin ensemble with two turns (Turn9-6 and Turn5-2) and three hydrogen bonds, the third state was a disordered structure with both Turn8-5 and Turn5-2, and the last state was a π-helix ensemble. Meanwhile, we studied the free energy change of α-syn12 peptide from the unfolded state to the β-hairpin state, which was in good agreement with the experiments and molecular dynamics simulations for some other peptides. We also analyzed the driving force of the peptide transition.The results indicated that the driving forces were high solvent exposure of hydrophobic Leu8 and hydrophobic residues in secondary structure. To our knowledge, this was the first report to study the isolated α-syn12 peptide in water by T-REMD.

  1. IR technology for enhanced force protection by AIM

    Science.gov (United States)

    Breiter, R.; Ihle, T.; Rode, W.; Wendler, J.; Rühlich, I.; Haiml, M.; Ziegler, J.

    2008-04-01

    In all recent missions our forces are faced with various types of asymmetric threads like snipers, IEDs, RPGs or MANPADS. 2 nd and 3 rd Gen IR technology is a backbone of modern force protection by providing situational awareness and accurate target engagement at day/night. 3 rd Gen sensors are developed for thread warning capabilities by use of spectral or spatial information. The progress on a dual-color IR module is discussed in a separate paper [1]. A 1024x256 SWIR array with flexure bearing compressor and pulse tube cold finger provides > 50,000h lifetime for space or airborne hyperspectral imaging in pushbroom geometry with 256 spectral channels for improved change detection and remote sensing of IEDs or chemical agents. Similar concepts are pursued in the LWIR with either spectroscopic imaging or a system of LWIR FPA combined with a cooled tunable Laser to do spectroscopy with stimulated absorption of specific wavelengths. AIM introduced the RangIR sight to match the requirements of sniper teams, AGLs and weapon stations, extending the outstanding optronic performance of the fielded HuntIR with position data of a target by a laser range finder (LRF), a 3 axis digital magnetic compass (DMC) and a ballistic computer for accurate engagement of remote targets. A version with flexure bearing cooler with >30,000h life time is being developed for continuous operation in e.g. gunfire detection systems. This paper gives an overview of AIM's technologies for enhanced force protection.

  2. Halogen Bonding: An AIM Analysis of the Weak Interactions

    Institute of Scientific and Technical Information of China (English)

    ZOU, Jian-Wei; LU, Yun-Xiang; YU, Qing-Sen; ZHANG, Hua-Xin; JIANG, Yong-Jun

    2006-01-01

    A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules (AIM) approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points (XBCP) and the values of the electron density (ρb) and Laplacian of electron density (▽2pb) at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes (△) upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength.In addition, an excellent linear relationship between the interatomic distance d(X…N) and the logarithm of ρb has been established.

  3. Student Teachers’ Attitude towards Twitter for Educational Aims

    Directory of Open Access Journals (Sweden)

    Victoria I. Marín

    2014-07-01

    Full Text Available This paper presents an educational experience with 100 student teachers from different courses of the University of the Balearic Islands (Spain in which Twitter is used for various different activities. The aim of this experiment was to explore student teachers’ perceptions in order to value their attitude towards Twitter for educational aims. Afterwards, students were asked to write down their reflections on an eportfolio. Data was collected from their eportfolio evidence, which was analysed to review their attitude towards the use of Twitter for educational purposes and for their future teaching and professional development. The conclusions indicate the need to conduct different educational activities in which Twitter is used in various ways. In addition, conclusions reflect on the real impact of Twitter on students’ learning enhancement, in order to improve student teachers’ attitudes towards social media in education. Therefore, this article contributes to the body of existing research on the use of technology in education, specifically to the possibilities of the use of social media and microblogging in Teacher Education.

  4. Aims or purposes of school mediation in Spain

    Directory of Open Access Journals (Sweden)

    María-Isabel Viana-Orta

    2013-01-01

    Full Text Available Mediation continues to expand, both geographically and in terms of scope. Depending on its purpose, there are three main consolidated mediation models or schools worldwide: the Traditional-Linear Harvard model, which seeks to find an agreement between the parties; the Circular-Narrative model, which apart from the agreement also emphasizes communicational aspects; and the Transformational model, more focused on relational aspects between the parties than in the adoption of agreements. The aim of this study is to determine which is the goal or purpose of mediation, confining it to the school environment and to the Spanish context. A brief comparative study is presented to this end, in which the comparative units are all the Comunidades Autónomas [Autonomous Regions] that make up the Spanish territory (n = 17 and the variable compared is the aim or purpose of mediation in schools as established by all the regional rules on school life (n = 17 with the force of a decree.

  5. An intervention aimed at reducing plagiarism in undergraduate nursing students.

    Science.gov (United States)

    Smedley, Alison; Crawford, Tonia; Cloete, Linda

    2015-05-01

    Plagiarism is a current and developing problem in the tertiary education sector where students access information and reproduce it as their own. It is identified as occurring in many tertiary level degrees including nursing and allied health profession degrees. Nursing specifically, is a profession where standards and ethics are required and honesty is paramount. The aim of this study was to evaluate the change in nursing student's knowledge and understanding of plagiarism before and after an educational intervention in their first semester of the Bachelor of nursing degree at a private college of higher education in Sydney, Australia. This study concluded that an educational intervention can increase knowledge and awareness of plagiarism among nursing students.

  6. Space Insect-Food Aiming at Mars Emigration

    Science.gov (United States)

    Katayama, Naomi; Hashimoto, Hirofumi; Yamashita, Masamichi; Takase, Yoshimi; Kawai, Mika; Space Agriculture Task Force

    We study space insect-food during 10 years. We are aiming at Mars emigration. In space agriculture, insect is the important creature which we cannot miss. It is necessary for the pollination of the plant, and it is rich to protein and lipid as food. We reported that silkworm, bee, grasshopper, snail, fly and termite (white ant) are insects necessary for astroponics in particular last time. We make clothes using silk thread, and the pupa becomes the food. In addition, the clothes can make food as protein when we need not to use it. The bee is a very important insect in the space agriculture, too. We calculated the nourishment ingredient of those insects and thought about ideal space foods which ara necessary for Mars emigration. We will introduce good balance space foods.

  7. Tourist animation aimed at developing rural tourism in Serbia

    Directory of Open Access Journals (Sweden)

    Đorđević Saša

    2016-01-01

    Full Text Available As a tourist destination, Serbia has some real opportunities to put priority on the rural tourism in relation to other forms of tourism. Subsequently, there is a need to make the rural tourism offer more attractive to tourists. Among other things, that offer includes a tourist animation, which is currently gaining in significance, emerging directly in and aimed at tourism development of rural areas. Therefore this paper deals first with the role and importance of tourism related knowledge about developing rural areas, and particularly the knowledge on animation; then follows the tourist animation as an attractive quality of rural areas' tourist offer; as well as the importance and the role of the government and tourist animation in the development of rural tourism, with particular emphasis on the necessity to educate and train tourist animators, as experts and professionals at the academic level.

  8. Microwave dielectric absorption spectroscopy aiming at novel dosimetry using DNAs

    Energy Technology Data Exchange (ETDEWEB)

    Izumi, Yoshinobu; Hirayama, Makoto; Matuo, Youichirou [Research Institute of Nuclear Engineering, University of Fukui, Fukui (Japan); Sunagawa, Takeyoshi [Fukui University of Technology, Fukui (Japan)

    2017-03-15

    We are developing L-band and S-band microwave dielectric absorption systems aiming novel dosimetry using DNAs, such as plasmid DNA and genomic DNA, and microwave technology. Each system is composed of a cavity resonator, analog signal generator, circulator, power meter, and oscilloscope. Since the cavity resonator is sensitive to temperature change, we have made great efforts to prevent the fluctuation of temperature. We have developed software for controlling and measurement. By using this system, we can measure the resonance frequency, f, and ΔQ (Q is a dimensionless parameter that describes how under-damped an oscillator or resonator is, and characterizes a resonator’s bandwidth relative to its center frequency) within about 3 minutes with high accuracy. This system will be expected to be applicable to DNAs evaluations and to novel dosimetric system.

  9. Popper, Kuhn, Lakatos and Aim-Oriented Empiricism

    CERN Document Server

    Maxwell, Nicholas

    2012-01-01

    In this paper I argue that aim-oriented empiricism (AOE), a conception of natural science that I have defended at some length elsewhere, is a kind of synthesis of the views of Popper, Kuhn and Lakatos, but is also an improvement over the views of all three. Whereas Popper's falsificationism protects metaphysical assumptions implicitly made by science from criticism, AOE exposes all such assumptions to sustained criticism, and furthermore focuses criticism on those assumptions most likely to need revision if science is to make progress. Even though AOE is, in this way, more Popperian than Popper, it is also, in some respects, more like the views of Kuhn and Lakatos than falsificationism is. AOE is able, however, to solve problems which Kuhn's and Lakatos's views cannot solve.

  10. Implementation Guidance for the Accelerated Improvement Method (AIM). Software Engineering Process Management: Special Report

    Science.gov (United States)

    2010-12-01

    Humphrey 2010]) team roles , defines its own objectives for achieving man s a technical strategy, selects or defines a development p project and a...starting point for any such activities, along with unique additional team roles that serve the unique purposes of the PG. Some of these are reflected in...coach, team leader, team members, and other relevant roles; workbooks that document and track the coaching plan and the various team roles ; weekly

  11. Systematic Reviews of Research in Education: Aims, Myths and Multiple Methods

    Science.gov (United States)

    Gough, David; Thomas, James

    2016-01-01

    Systematic reviews are still a controversial topic in some quarters, with the arguments for and against their use being well-rehearsed. In an attempt to advance a more nuanced approach to thinking about systematic reviewing, this paper illustrates the wide range of theoretical perspectives, methodologies and purposes that underpin the vast range…

  12. Systematic Reviews of Research in Education: Aims, Myths and Multiple Methods

    Science.gov (United States)

    Gough, David; Thomas, James

    2016-01-01

    Systematic reviews are still a controversial topic in some quarters, with the arguments for and against their use being well-rehearsed. In an attempt to advance a more nuanced approach to thinking about systematic reviewing, this paper illustrates the wide range of theoretical perspectives, methodologies and purposes that underpin the vast range…

  13. Parametric Design Strategy Aiming at Environmentally Sustainable Residential Buildings

    DEFF Research Database (Denmark)

    Hansen, Hanne Tine Ring; Knudstrup, Mary-Ann; Heiselberg, Per

    2007-01-01

    This paper presents the preliminary conclusions from a PhD study about methodical approaches to environmentally sustainable architecture. The presented results are from a local sensitivity analysis focused on the energy consumption of a typical residential reference building, when it is subjected...

  14. 基于并行计算的多副本空间数据离散布局策略%Discrete Layout Strategy for Multiple Replica of Spatial Data Based on Parallel Computing

    Institute of Scientific and Technical Information of China (English)

    李晟彬; 唐小明; 李志清; 殷君茹; 李惺颖

    2016-01-01

    According to the characteristics of spatial data and their relationships,we proposed a load balanced spatial vector data layout target,and combined with the specific environment,using the algorithm of spatial data layout based on graph coloring theory and data security mechanism of multiple replica.Spatial data deployed in parallel environment,and improved the execution efficiency and data security of task on the data nodes.Experimental results show that the layout method can achieve balanced layout of data, take into account the efficiency and security of the parallel computing,and adapt to more query applications.%根据空间数据的特点及其关系,提出一个负载均衡的空间矢量数据布局目标,并结合特定环境,采用基于图着色理论的空间数据布局算法及多副本的数据安全机制,提高了空间数据部署在并行环境下,数据节点上任务的执行效率和数据安全性。实验结果表明,该布局方法能实现数据的均衡布局,兼顾了并行计算的效率和安全性,适应并行计算下更多的查询应用。

  15. [Social marketing--seduction with the aim of healthy behavior?].

    Science.gov (United States)

    Loss, J; Nagel, E

    2010-01-01

    SOCIAL MARKETING - SEDUCTION WITH THE AIM OF HEALTHY BEHAVIOR? Social marketing is the use of marketing principles to design and implement programs that promote socially beneficial behaviour change. Contrary to the marketing of consumption goods, social marketing does not deal with material products, but with behaviour, e. g. not smoking. This 'product' has a basic benefit (i. e. reduction of health risks in the long run), which is, however, difficult to convey. Therefore, the intended change in behaviour has to be related to a further reward which consists of symbolic goods, e. g. social appreciation or a better body feeling. The communication policy is essential for information on and motivation for the preventive issue. Social marketing campaigns whose development and management follow the principles of classical marketing can render preventive efforts more effective. In addition, social marketing can lead to a better quality management as compared to conventional preventive activities. These advantages can be explained by a) tailoring the campaign more specifically to the target group's needs and motives, b) presenting health risks more convincingly, and c) continuously analysing and evaluating the campaign and its effects. On the other hand, the marketing of preventive aims through mass media can bear several risks, as exemplified by different national and international public health campaigns. The necessity to communicate briefly and succinctly can lead to misleading simplifications and, in case of cancer screening, to the trivialization of a behaviour's consequences and adverse effects. Also, many campaigns do not intend to educate and inform, but try to persuade target persons of a certain behaviour, using emotions such as fear. This has led to social marketing being criticized as manipulation. Sometimes, social marketing campaigns cause stigma and discrimination of certain population subgroups, e. g. obese or HIV-positive people. Health promoters who plan

  16. MEE (Materials Engineering for Electronics - Aim, Tools and Perspectives

    Directory of Open Access Journals (Sweden)

    J. Kousal

    2000-01-01

    Full Text Available New approach to solidification processes based on a combination  of mechanical vibrations and on specially introduced magneto-hydrodynamic forces is illustrated on GaSb grown from Ga and Sb solutions. Process is accelerated approximately 20-times compared with "classical" Travelling heater method - solution growth. Up to now, though ingots possess mosaic texture, their transport properties: μH = 3.800 cm2/Vs, p = 1.7 . 1017 at 77 K are slightly better than published results. A schematic arrangement of the growth apparatus for a modified travelling heater method, and of the growth conditions are given. A simple calculation of levitation phenomenon being generated by a controlled MHD forces are presented. There is brought a brief analyses of this phenomenon for an application on the above mentioned processes. Some experimentation attempts are added. Possible perspectives inhering in this peculiar process can also inspire young investigators/scientists.

  17. Process evaluation of a workplace health promotion intervention aimed at improving work engagement and energy balance

    NARCIS (Netherlands)

    Berkel, J. van; Boot, C.R.L.; Proper, K.I.; Bongers, P.M.; Beek, A.J. van der

    2013-01-01

    OBJECTIVE:: To evaluate the process of the implementation of an intervention aimed at improving work engagement and energy balance, and to explore associations between process measures and compliance. METHODS:: Process measures were assessed using a combination of quantitative and qualitative method

  18. Alginate Immobilization of Metabolic Enzymes (AIME) for High ...

    Science.gov (United States)

    Alginate Immobilization of Metabolic Enzymes (AIME) for High-Throughput Screening Assays DE DeGroot, RS Thomas, and SO SimmonsNational Center for Computational Toxicology, US EPA, Research Triangle Park, NC USAThe EPA’s ToxCast program utilizes a wide variety of high-throughput screening (HTS) assays to assess chemical perturbations of molecular and cellular endpoints. A key criticism of using HTS assays for toxicity assessment is the lack of xenobiotic metabolism (XM) which precludes both metabolic detoxification as well as bioactivation of chemicals tested in vitro thereby mischaracterizing the potential risk posed by these chemicals. To address this deficiency, we have developed an extracellular platform to retrofit existing HTS assays with XM activity. This platform utilizes the S9 fraction of liver homogenate encapsulated in an alginate gel network which reduces the cytotoxicity caused by direct addition of S9 to cells in culture. Alginate microspheres containing encapsulated human liver S9 were cross-linked to solid supports extending from a 96-well plate lid and were assayed using a pro-luciferin substrate specific for CYP3A4 (IPA). We demonstrate that S9 was successfully encapsulated and remained enzymatically active post-encapsulation with 5-10X the CYP3A4 activity as compared to 1 µg solubilized human liver S9. Ketoconazole, a known inhibitor of human CYP3A4, inhibited CYP3A4 activity in a concentration-dependent manner (IC50: 0.27 µM) and inhibiti

  19. Aiming for a simpler early arthritis MRI protocol

    DEFF Research Database (Denmark)

    Stomp, Wouter; Krabben, Annemarie; van der Heijde, Désirée;

    2015-01-01

    PURPOSE: To evaluate whether intravenous gadolinium (Gd) contrast administration can be eliminated when evaluating synovitis and tenosynovitis in early arthritis patients, thereby decreasing imaging time, cost, and invasiveness. MATERIALS AND METHODS: Wrist MRIs of 93 early arthritis patients were...... % for the two readers, respectively, with a specificity of 51 % and 81 %. For tenosynovitis, the sensitivity was 67 % and 54 %, respectively, with a specificity of 87 % and 91 %. Pooled data analysis revealed an overall sensitivity of 81 % and specificity of 50 % for evaluation of synovitis. Variations...

  20. SaudiVeg ecoinformatics: Aims, current status and perspectives

    Directory of Open Access Journals (Sweden)

    Mohamed A. El-Sheikh

    2017-02-01

    Full Text Available During the last decade many electronic databases of vegetation plots were established in many countries around the world. These databases contain valuable phytosociological information assisting both governmental and NGO (Non-governmental organizations agencies to formulate strategies and on-ground plans to manage and protect nature resources. This paper provides an account on aims, current status and perspectives of building of a vegetation database for the Central Region (Najd of Saudi Arabia – the founding element of the Saudi Vegetation Database (SVD. The data stored by the database are sample plots (vegetation relevés collected according to the field techniques of the Braun-Blanquet approach (lists of taxa accompanied by semi-quantitative cover assessment, and are accompanied by general vegetation characteristics such as vegetation layering and cover, information on life-form of the recorded species, geographical coordinates, altitude, soil typology, topography and many more. More than 2900 vegetation-plot records (relevés have so far been collected in the Najd region; of these more than 2000 have already been stored using the Turboveg database platform. These field records cover many habitats such as depressions, wadis (dry river beds, agricultural lands, sand dunes, sabkhas, and ruderal habitats. The ecological information collected in the database is currently the largest set of vegetation data collated into a database in the Middle East. These data are of great importance for biodiversity studies in Saudi Arabia, since the region is recording a loss of biodiversity at a fast rate due to environmental problems such as global warming and land-use changes. We envisage that this database would catalyze further data collection on vegetation of the entire Arabian Peninsula, and shall serve as one of the most important datasets for classification and mapping of the vegetation of the Kingdom of Saudi Arabia.

  1. [Peptide synthesis aiming at elucidation and creation of protein functions].

    Science.gov (United States)

    Futaki, S

    1998-11-01

    The recent development of molecular biology has been elucidating outlines of the cross-talk of biomolecules. The understanding of the function of these biomolecules from the viewpoint of chemistry is now demanded not only for the understanding of biological systems but also for the creation of novel functional molecules. Here two topics are described about peptide synthesis aiming at the elucidation and the creation of protein functions. The first topic is the development of approaches for the synthesis of Tyr (SO3H)-containing peptides. Tyrosine sulfation is one of the most popular protein post-translational modifications. Synthetic peptides are of great help for the elucidation of the biological significance of tyrosine sulfation. We have developed two approaches for the efficient synthesis of tyrosine sulfate [Tyr (SO3H)]-containing peptides. The first approach employs a dimethylformamide-sulfur trioxide (DMF-SO3) complex as a sulfating agent and safety-catch protecting groups for the selective sulfation of tyrosine in the presence of serine. The second approach employs the direct introduction of Tyr(SO3H) into the peptide chain in the form of Fmoc-Tyr(SO3Na) followed by deprotection at 4 degrees C in trifluoroacetic acid. These approaches were successfully applied for the synthesis of cholecystokinin (CCK)-related peptides. The second topic deals with new approaches for the creation of artificial proteins through assembling alpha-helical peptides via selective disulfide or thioether formation. Approaches to assemble individual peptide segments on a peptide template were also developed. Four peptides corresponding to the transmembrane segments of the sodium channel (S4 in repeat I-IV) were assembled on a peptide template to give a protein having ion channel activity with rectification.

  2. A review of intervention studies aimed at household energy conservation

    Energy Technology Data Exchange (ETDEWEB)

    Abrahamse, W.; Steg, L.; Vlek, C.; Rothengatter, T. [Groningen Univ. (Netherlands). Dept. of Psychology

    2005-09-15

    This article reviews and evaluates the effectiveness of interventions aiming to encourage households to reduce energy consumption. Thirty-eight studies performed within the field of (applied) social and environmental psychology are reviewed, and categorized as involving either antecedent strategies (i.e. commitment, goal setting, information, modeling) or consequence strategies (i.e. feedback, rewards). Particular attention is given to the following evaluation criteria: (1) to what extent did the intervention result in behavioral changes and/or reductions in energy use, (2) were underlying behavioral determinants examined (e.g. knowledge, attitudes), (3) to what extent could effects be attributed to the interventions and, (4) were effects maintained over longer periods of time? Interestingly, most studies focus on voluntary behavior change, by changing individual knowledge and/or perceptions rather than changing contextual factors (i.e. pay-off structure) which may determine households' behavioral decisions. Interventions have been employed with varying degrees of success. Information tends to result in higher knowledge levels, but not necessarily in behavioral changes or energy savings. Rewards have effectively encouraged energy conservation, but with rather short-lived effects. Feedback has also proven its merits, in particular when given frequently. Some important issues cloud these conclusions, such as methodological problems. Also, little attention is given to actual environmental impact of energy savings. Often, an intervention's effectiveness is studied without examining underlying psychological determinants of energy use and energy savings. Also, it is not always clear whether effects were maintained over a longer period of time. Recommendations are given to further improve intervention planning and to enhance the effectiveness of interventions. (author)

  3. Construction of a narrative network aimed at implementing inclusive processes

    Directory of Open Access Journals (Sweden)

    Francesca Salis

    2017-01-01

    Full Text Available The concept of inclusion in its complex aspects aimed at overcoming barriers to learning and involvement has led this research in university, in the light of special pedagogy and didactics, on the basis of inclusion index parameters, detecting the levels of integrated planning with the territory. The purpose of this study is not limited to disability and to special education needs but goes further than that encompassing isolation and/or exclusions. As far as the university system is concerned, it becomes significant to enquire about the inclusion process, in this case by means of a narrative approach, bearing in mind that organizational and learning models, together with access modes may give rise to social exclusion.Università e territorio: costruzione di una rete narrativa per l’implementazione dei processi inclusiviIl costrutto di inclusione nelle sue complesse sfaccettature mirate al superamento delle barriere all’apprendimento e alla partecipazione, ha guidato il presente lavoro di ricerca in ambito universitario alla luce della pedagogia e didattica speciale, sulla base dei parametri dell’Index for Inclusion, rilevando i livelli di progettazione integrata con il territorio. Il suo raggio di azione non si limita alla disabilità ma abbraccia tutti i bisogni educativi speciali, e l’isolamento, la marginalizzazione e/o le esclusioni che ne derivano. Rispetto al sistema universitario è rilevante interrogarsi sul processo di inclusione, in questo caso sulla base dell’approccio narrativo, preso atto che il modello organizzativo e le modalità di accesso e formative possono essere causa di esclusione formativa e sociale.

  4. [Strategies aiming to control hyperphosphatemia in chronic kidney disease].

    Science.gov (United States)

    Ureña Torres, Pablo Antonio

    2017-04-01

    Chronic kidney disease is known to be associated with phosphate retention. The mechanisms are complex and the early increase in serum phosphate levels in chronic kidney disease is not strictly related to the dietary phosphate load or to the degree of phosphate retention. It also implicates the activity of intestinal sodium-phosphate cotransporters, the degree of bone turnover and the retention and/or phosphate release from the skeleton, and the feedback mechanisms regulating the phosphaturia. Indeed, the increase in serum phosphate levels is only a reflection of underlying complex mechanisms, and many important factors play a role including parathyroid hormone, vitamin D, fibroblast growth factor 23 (FGF23), and others. Hyperphosphatemia increases the risk of cardiovascular morbidity and mortality in chronic kidney disease as well as in subjects with normal renal function. Oral phosphate binders are prescribed in patients with chronic kidney disease and in those treated by dialysis, to prevent intestinal absorption of dietary phosphate and reduce serum phosphate. In prospective observational studies, they have been shown to decrease all-cause and cardiovascular mortality risk. However, different problems have been associated with currently available phosphate binders including the induction of a positive calcium balance and impaired outcomes with calcium-based phosphate binders or increased costs with non-calcium-based phosphate binders. Iron-based phosphate binders represent a new class of phosphate binders. The aim of this article is to provide an update review of the pathophysiological mechanisms leading and maintaining elevated serum phosphate levels in patients with chronic kidney disease and patients in dialysis, and the educational, nutritional, and therapeutic strategies that can be undertaken to control the hyperphosphatemia. Copyright © 2017 Association Société de néphrologie. Published by Elsevier Masson SAS. All rights reserved.

  5. Ready! Aim! Fire! targeting the right medical science journal.

    Science.gov (United States)

    Hardman, Timothy C; Serginson, James M

    2017-09-01

    Inadvertently submitting a paper to a journal that is unlikely to publish it is a waste of resources and ultimately delays dissemination of one's research. A high proportion of manuscripts are rejected by their author's first-choice journal. The aim of the present work was to review guidance provided within the literature for journal selection that might minimize the chance of manuscript rejection. We also consider papers that encompass more than one main medical science and describe the selection process that we used with a paper that was published in Cardiovascular Endocrinology. A database search (Embase, PubMed and Medworm) was performed for all articles published in the scientific literature providing guidance on journal selection. Articles were identified that either had journal selection as their principal topic or included journal selection as part of a broader discussion of publishing. The relative performance of four free-to-use, web-based applications that claim to provide guidance on journal selection was compared. The searches identified 286 hits, of which 249 were in English. Of these papers, 16 discussed journal selection and a further 10 articles were identified from citations within the original 16 articles. Only one article described a comprehensive model for submission decision-making. Identification of appropriate candidate journals by various web-based applications was erratic, with the Jane database providing the most robust suggestions. Our work suggests that little attention has been focused in the scientific literature on the mechanisms that authors use to select a journal for their work. Nevertheless, scientists for the most part seem to have a good sense of where their papers are most likely to be accepted. Beyond ensuring that a manuscript fulfils all the target journal's requirements, the literature suggests that it is important to have an objective view of the scientific contribution or 'value' of your work.

  6. Prognostic Value of AIMS65 Score in Cirrhotic Patients with Upper Gastrointestinal Bleeding

    Directory of Open Access Journals (Sweden)

    Vinaya Gaduputi

    2014-01-01

    Full Text Available Introduction. Unlike Rockall scoring system, AIMS65 is based only on clinical and laboratory features. In this study we investigated the correlation between the AIMS65 score and Endoscopic Rockall score, in cirrhotic and noncirrhotic patients. Methods. This is a retrospective study of patients admitted with overt UGIB and undergoing esophagogastroduodenoscopy (EGD. AIMS65 and Rockall scores were calculated at the time of admission. We investigated the correlation between both scores along with stigmata of bleed seen on endoscopy. Results. A total of 1255 patients were studied. 152 patients were cirrhotic while 1103 patients were noncirrhotic. There was significant correlation between AIMS65 and Total Rockall scores in patients of both groups. There was significant correlation between AIMS65 score and Endoscopic Rockall score in noncirrhotics but not cirrhotics. AIMS65 scores in both cirrhotic and noncirrhotic groups were significantly higher in patients who died from UGIB than in patients who did not. Conclusion. We observed statistically significant correlation between AIMS65 score and length of hospitalization and mortality in noncirrhotic patients. We found that AIMS65 score paralleled the endoscopic grading of lesion causing UGIB in noncirrhotics. AIMS65 score correlated only with mortality but not the length of hospitalization or endoscopic stigmata of bleed in cirrhotics.

  7. Aiming at Targets: The Autobiography of Robert C. Seamans, Jr.

    Science.gov (United States)

    Seamans, Robert C., Jr.

    1996-01-01

    Bob Seamans originally was inspired to write this book for his family and friends. That is a large audience. By his own count his immediate family numbers twenty-four, not counting brothers and cousins and their families. His friends are uncounted but surely run to hundreds. As one of them and as a colleague at NASA, I am pleased and honored that he asked me to write this foreword. While written in Bob's unique and informal style, this autobiography has significance for many readers beyond his large circles of family and friends. Leaders and students of large, complex technological endeavors should be able to learn much from reading how Bob faced the daunting technical and management challenges in his career. As the title of this book implies, Bob has always set high goals for himself and then kept his eyes focused on both the necessary details and the broader picture. His ability to shift smoothly among jobs that required seemingly disparate abilities and skills speaks volumes about his insight, dedication, and enthusiasm for achievement. The book spans a truly remarkable life story. Bob first takes us through his growing up, education, and early professional and family life. Next he focuses on the crucial years when he was the general manager of NASA. Then he moves on to his career in the top jobs at the Air Force, the National Academy of Engineering, and the Energy Research and Development Administration. Finally, he touches on his later leadership activities in the academic and business worlds. Aiming at Targets is a series of fascinating topical vignettes covering his professional life. Taken together, like broad brushstrokes in an impressionist painting, they give a better picture of Bob Seamans and his work than a detailed recitation of facts and dates could hope to do. This is a cheerful account of an interesting and successful career. The book is full of good stories, with many memorable characters. Like the proverbial sundial, it counts the sunny hours

  8. Nisin Production Utilizing Skimmed Milk Aiming to Reduce Process Cost

    Science.gov (United States)

    Jozala, Angela Faustino; de Andrade, Maura Sayuri; de Arauz, Luciana Juncioni; Pessoa, Adalberto; Penna, Thereza Christina Vessoni

    Nisin is a natural additive for conservation of food, pharmaceutical, and dental products and can be used as a therapeutic agent. Nisin inhibits the outgrowth of spores, the growth of a variety of Gram-positive and Gram-negative bacteria. This study was performed to optimize large-scale nisin production in skimmed milk and subproducts aiming at low-costs process and stimulating its utilization. Lactococcus lactis American Type Culture Collection (ATCC) 11454 was developed in a rotary shaker (30°C/36 h/100 rpm) in diluted skimmed milk and nisin activity, growth parameters, and media components were also studied. Nisin activity in growth media was expressed in arbitrary units (AU/mL) and converted to standard nisin concentration (Nisaplin®, 25 mg of pure nisin is 1.0×106 AU/mL). Nisin activity in skimmed milk 2.27 gtotal solids was up to threefold higher than transfers in skimmed milk 4.54 gtotal solids and was up to 85-fold higher than transfers in skimmed milk 1.14 gtotal solids. L. lactis was assayed in a New Brunswick fermentor with 1.5 L of diluted skimmed milk (2.27 gtotal solids) and airflow of 1.5 mL/min (30°C/36/200 rpm), without pH control. In this condition nisin activity was observed after 4 h (45.07 AU/mL) and in the end of 36 h process (3312.07 AU/mL). This work shows the utilization of a low-cost growth medium (diluted skimmed milk) to nisin production with wide applications. Furthermore, milk subproducts (milk whey) can be exploited in nisin production, because in Brazil 50% of milk whey is disposed with no treatment in rivers and because of high organic matter concentrations it is considered an important pollutant. In this particular case an optimized production of an antimicrobial would be lined up with industrial disposal recycling.

  9. Taking Aim at Moving Targets in Computational Cell Migration.

    Science.gov (United States)

    Masuzzo, Paola; Van Troys, Marleen; Ampe, Christophe; Martens, Lennart

    2016-02-01

    Cell migration is central to the development and maintenance of multicellular organisms. Fundamental understanding of cell migration can, for example, direct novel therapeutic strategies to control invasive tumor cells. However, the study of cell migration yields an overabundance of experimental data that require demanding processing and analysis for results extraction. Computational methods and tools have therefore become essential in the quantification and modeling of cell migration data. We review computational approaches for the key tasks in the quantification of in vitro cell migration: image pre-processing, motion estimation and feature extraction. Moreover, we summarize the current state-of-the-art for in silico modeling of cell migration. Finally, we provide a list of available software tools for cell migration to assist researchers in choosing the most appropriate solution for their needs.

  10. Statistical learning analysis in neuroscience: aiming for transparency

    Directory of Open Access Journals (Sweden)

    Michael Hanke

    2010-05-01

    Full Text Available Encouraged by a rise of reciprocal interest between the machine learning and neuroscience communities, several recent studies have demonstrated the explanatory power of statistical learning techniques for the analysis of neural data. In order to facilitate a wider adoption of these methods neuroscientific research needs to ensure a maximum of transparency to allow for comprehensive evaluation of the employed procedures. We argue that such transparency requires ``neuroscience-aware'' technology for the performance of multivariate pattern analyses of neural data that can be documented in a comprehensive, yet comprehensible way. Recently, we introduced PyMVPA, a specialized Python framework for machine learning based data analysis that addresses this demand. Here we review its features and applicability to various neural data modalities.

  11. Statistical learning analysis in neuroscience: aiming for transparency.

    Science.gov (United States)

    Hanke, Michael; Halchenko, Yaroslav O; Haxby, James V; Pollmann, Stefan

    2010-01-01

    Encouraged by a rise of reciprocal interest between the machine learning and neuroscience communities, several recent studies have demonstrated the explanatory power of statistical learning techniques for the analysis of neural data. In order to facilitate a wider adoption of these methods, neuroscientific research needs to ensure a maximum of transparency to allow for comprehensive evaluation of the employed procedures. We argue that such transparency requires "neuroscience-aware" technology for the performance of multivariate pattern analyses of neural data that can be documented in a comprehensive, yet comprehensible way. Recently, we introduced PyMVPA, a specialized Python framework for machine learning based data analysis that addresses this demand. Here, we review its features and applicability to various neural data modalities.

  12. Internet Use with Learning Aim: Views of German Language Pre-Service Teachers

    OpenAIRE

    Mukadder Seyhan Yücel

    2011-01-01

    The aim of this study is to indicate the views of teacher candidates of German Language Department at Education Faculty, Trakya University about the use of internet with the aim of learning. This study has designed as phenomenology which is one of the qualitative research methods. The study data were obtained via semi-constructed interview technique and the content analysis technique was used in the data analysis. In the research, the findings gathered from the interviews with the teacher can...

  13. Digital Dermatoscopy Method for Human Skin Roughness Analysis

    Directory of Open Access Journals (Sweden)

    Suprijanto

    2011-04-01

    Full Text Available In this study we propose a digital dermatoscopy method to measure the human skin roughness. By using this method we eliminate the use of silicon replica. Digital dermatoscopy consists of handheld digital microscope, image processing and information extraction of skin roughness level. To reduce the noise due to the variation of reflection factor on the skin we use median filter. Hence, by Fourier transform the skin texture is imaged in terms of 2D frequency-spatial distribution. Skin roughness is determined from its entropy, where the roughness level is proportional to the entropy. Three types of experiment have been performed by evaluating: (i the skin replicas; (ii young and elderly skin; and (iii seven volunteers treated by anti wrinkle cosmetic in three weeks period. We find that for the first and second experiment that our system did manage to quantify the roughness, while on the third experiment, six of seven volunteers, the roughness are succeeded to identify.

  14. Measurements of π{sup ±} differential yields from the surface of the T2K replica target for incoming 31 GeV/c protons with the NA61/SHINE spectrometer at the CERN SPS

    Energy Technology Data Exchange (ETDEWEB)

    Abgrall, N.; Ajaz, M.; Blondel, A.; Bravar, A.; Debieux, S.; Haesler, A.; Korzenev, A.; Ravonel, M. [University of Geneva, Geneva (Switzerland); Aduszkiewicz, A.; Dominik, W.; Kuich, M.; Matulewicz, T.; Posiadala-Zezula, M. [University of Warsaw, Warsaw (Poland); Ali, Y. [Jagiellonian University, Cracow (Poland); COMSATS Institute of Information Technology, Department of Physics, Islamabad (Pakistan); Andronov, E.; Feofilov, G.A.; Igolkin, S.; Kondratiev, V.P.; Seryakov, A.; Vechernin, V.V.; Vinogradov, L. [St. Petersburg State University, Saint Petersburg (Russian Federation); Anticic, T.; Kadija, K.; Susa, T. [Ruder Boskovic Institute, Zagreb (Croatia); Antoniou, N.; Christakoglou, P.; Davis, N.; Diakonos, F.; Kapoyannis, A.; Panagiotou, A.D.; Vassiliou, M. [University of Athens, Athens (Greece); Baatar, B.; Bunyatov, S.A.; Kolesnikov, V.I.; Krasnoperov, A.; Lyubushkin, V.V.; Malakhov, A.I.; Matveev, V.; Melkumov, G.L.; Tereshchenko, V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Bay, F.; Di Luise, S.; Rubbia, A.; Sgalaberna, D. [ETH Zuerich, Zuerich (Switzerland); Bluemer, J.; Dembinski, H.; Engel, R.; Herve, A.E.; Mathes, H.J.; Roth, M.; Szuba, M.; Ulrich, R.; Unger, M.; Veberic, D. [Karlsruhe Institute of Technology, Karlsruhe (Germany); Bogomilov, M.; Kolev, D.; Tsenov, R. [University of Sofia, Faculty of Physics, Sofia (Bulgaria); Brandin, A.; Selyuzhenkov, I.; Taranenko, A. [National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Moscow (Russian Federation); Brzychczyk, J.; Larsen, D.; Planeta, R.; Richter-Was, E.; Staszel, P.; Wyszynski, O. [Jagiellonian University, Cracow (Poland); Busygina, O.; Golubeva, M.; Guber, F.; Ivashkin, A.; Kurepin, A.; Sadovsky, A. [Institute for Nuclear Research, Moscow (Russian Federation); Cirkovic, M.; Manic, D.; Puzovic, J. [University of Belgrade, Belgrade (Serbia); Czopowicz, T.; Dynowski, K.; Grebieszkow, K.; Mackowiak-Pawlowska, M.; Maksiak, B.; Sarnecki, R.; Slodkowski, M.; Tefelska, A.; Tefelski, D. [Warsaw University of Technology, Warsaw (Poland); Deveaux, M.; Koziel, M.; Renfordt, R.; Stroebele, H. [University of Frankfurt, Frankfurt (Germany); Dumarchez, J.; Robert, A. [LPNHE, University of Paris VI and VII, Paris (France); Ereditato, A.; Hierholzer, M.; Nirkko, M.; Pistillo, C.; Redij, A. [University of Bern, Bern (Switzerland); Fodor, Z. [Wigner Research Centre for Physics of the Hungarian Academy of Sciences, Budapest (Hungary); University of Wroclaw, Wroclaw (Poland); Garibov, A. [National Nuclear Research Center, Baku (Azerbaijan); Gazdzicki, M. [University of Frankfurt, Frankfurt (Germany); Jan Kochanowski University in Kielce, Kielce (Poland); Grzeszczuk, A.; Kaptur, E.; Kisiel, J.; Kowalski, S.; Pulawski, S.; Schmidt, K.; Wilczek, A. [University of Silesia, Katowice (Poland); Hasegawa, T.; Kobayashi, T.; Nakadaira, T.; Nishikawa, K.; Sakashita, K.; Sekiguchi, T.; Shibata, M.; Tada, M.; Friend, M. [Institute for Particle and Nuclear Studies, Tsukuba (Japan); Johnson, S.R.; Marino, A.D.; Rumberger, B.T.; Zimmerman, E.D. [University of Colorado, Boulder (United States); Kowalik, K.; Rondio, E.; Stepaniak, J. [National Centre for Nuclear Research, Warsaw (Poland); Laszlo, A.; Marton, K.; Vesztergombi, G. [Wigner Research Centre for Physics of the Hungarian Academy of Sciences, Budapest (Hungary); Lewicki, M.; Naskret, M.; Turko, L. [University of Wroclaw, Wroclaw (Poland); Marcinek, A. [Jagiellonian University, Cracow (Poland); University of Wroclaw, Wroclaw (PL); Messerly, B.; Nagai, Y.; Paolone, V. [University of Pittsburgh, Pittsburgh (US); Mills, G.B.; Yarritu, K. [Los Alamos National Laboratory, Los Alamos (US); Morozov, S.; Petukhov, O. [Institute for Nuclear Research, Moscow (RU); National Research Nuclear University ' ' MEPhI' ' (Moscow Engineering Physics Institute), Moscow (RU); Mrowczynski, S.; Rybczynski, M.; Seyboth, P.; Stefanek, G.; Wlodarczyk, Z.; Wojtaszek-Szwarc, A. [Jan Kochanowski University in Kielce, Kielce (PL); Pavin, M. [Ruder Boskovic Institute, Zagreb (HR); LPNHE, University of Paris VI and VII, Paris (FR); Popov, B.A. [LPNHE, University of Paris VI and VII, Paris (FR); Joint Institute for Nuclear Research, Dubna (RU); Rauch, W. [Fachhochschule Frankfurt, Frankfurt (DE); Roehrich, D. [University of Bergen, Bergen (NO); Rustamov, A. [National Nuclear Research Center, Baku (AZ); University of Frankfurt, Frankfurt (DE); Zambelli, L. [LPNHE, University of Paris VI and VII, Paris (FR); Institute for Particle and Nuclear Studies, Tsukuba (JP); Galymov, V. [IPNL, University of Lyon, Villeurbanne (FR); Hartz, M. [Kavli Institute for the Physics and Mathematics of the Universe (WPI), The University of Tokyo Institutes for Advanced Study, University of Tokyo, Kashiwa, Chiba (JP); TRIUMF, Vancouver, BC (CA); Hiraki, T.; Ichikawa, A.; Kubo, H.; Matsuoka, K.; Murakami, A.; Nakaya, T.; Suzuki, K. [Kyoto University, Department of Physics, Kyoto (JP); Tzanov, M. [Louisiana State University, Department of Physics and Astronomy, Baton Rouge, LA (US); Yu, M. [York University, Department of Physics and Astronomy, Toronto, ON (CA); Collaboration: NA61/SHINE Collaboration

    2016-11-15

    Measurements of particle emission from a replica of the T2K 90 cm-long carbon target were performed in the NA61/SHINE experiment at CERN SPS, using data collected during a high-statistics run in 2009. An efficient use of the long-target measurements for neutrino flux predictions in T2K requires dedicated reconstruction and analysis techniques. Fully-corrected differential yields of π{sup ±}-mesons from the surface of the T2K replica target for incoming 31 GeV/c protons are presented. A possible strategy to implement these results into the T2K neutrino beam predictions is discussed and the propagation of the uncertainties of these results to the final neutrino flux is performed. (orig.)

  15. Measurements of charged pion differential yields from the surface of the T2K replica target for incoming 31 GeV/c protons with the NA61/SHINE spectrometer at the CERN SPS

    CERN Document Server

    Abgrall, N; Ajaz, M; Ali, Y; Andronov, E; Anticic, T; Antoniou, N; Baatar, B; Bay, F; Blondel, A; Blümer, J; Bogomilov, M; Brandin, A; Bravar, A; Brzychczyk, J; Bunyatov, S A; Busygina, O; Christakoglou, P; Cirkovic, M; Czopowicz, T; Davis, N; Debieux, S; Dembinski, H; Deveaux, M; Diakonos, F; Di Luise, S; Dominik, W; Dumarchez, J; Dynowski, K; Engel, R; Ereditato, A; Feofilov, G A; Fodor, Z; Garibov, A; Gazdzicki, M; Golubeva, M; Grebieszkow, K; Grzeszczuk, A; Guber, F; Haesler, A; Hasegawa, T; Hervé, A E; Hierholzer, M; Igolkin, S; Ivashkin, A; Johnson, S R; Kadija, K; Kapoyannis, A; Kaptur, E; Kisiel, J; Kobayashi, T; Kolesnikov, V I; Kolev, D; Kondratiev, V P; Korzenev, A; Kowalik, K; Kowalski, S; Koziel, M; Krasnoperov, A; Kuich, M; Kurepin, A; Larsen, D; László, A; Lewicki, M; Lyubushkin, V V; Mackowiak-Pawłowska, M; Maksiak, B; Malakhov, A I; Manic, D; Marcinek, A; Marino, A D; Marton, K; Mathes, H -J; Matulewicz, T; Matveev, V; Melkumov, G L; Messerly, B; Mills, G B; Morozov, S; Mrówczynski, S; Nagai, Y; Nakadaira, T; Naskret, M; Nirkko, M; Nishikawa, K; Panagiotou, A D; Paolone, V; Pavin, M; Petukhov, O; Pistillo, C; Płaneta, R; Popov, B A; Posiadała-Zezula, M; Puławski, S; Puzovic, J; Rauch, W; Ravonel, M; Redij, A; Renfordt, R; Richter-Was, E; Robert, A; Röhrich, D; Rondio, E; Roth, M; Rubbia, A; Rumberger, B T; Rustamov, A; Rybczynski, M; Sadovsky, A; Sakashita, K; Sarnecki, R; Schmidt, K; Sekiguchi, T; Selyuzhenkov, I; Seryakov, A; Seyboth, P; Sgalaberna, D; Shibata, M; Słodkowski, M; Staszel, P; Stefanek, G; Stepaniak, J; Ströbele, H; Šuša, T; Szuba, M; Tada, M; Taranenko, A; Tefelska, A; Tefelski, D; Tereshchenko, V; Tsenov, R; Turko, L; Ulrich, R; Unger, M; Vassiliou, M; Veberic, D; Vechernin, V V; Vesztergombi, G; Vinogradov, L; Wilczek, A; Włodarczyk, Z; Wojtaszek-Szwarc, A; Wyszynski, O; Yarritu, K; Zambelli, L; Zimmerman, E D; Friend, M; Galymov, V; Hartz, M; Hiraki, T; Ichikawa, A; Kubo, H; Matsuoka, K; Murakami, A; Nakaya, T; Suzuki, K; Tzanov, M; Yu, M

    2016-01-01

    Measurements of particle emission from a replica of the T2K 90 cm-long carbon target were performed in the NA61/SHINE experiment at CERN SPS, using data collected during a high-statistics run in 2009. An efficient use of the long-target measurements for neutrino flux predictions in T2K requires dedicated reconstruction and analysis techniques. Fully-corrected differential yields of charged pions from the surface of the T2K replica target for incoming 31 GeV/c protons are presented. A possible strategy to implement these results into the T2K neutrino beam predictions is discussed and the propagation of the uncertainties of these results to the final neutrino flux is performed

  16. Measurements of π ^± differential yields from the surface of the T2K replica target for incoming 31 GeV/ c protons with the NA61/SHINE spectrometer at the CERN SPS

    Science.gov (United States)

    Abgrall, N.; Aduszkiewicz, A.; Ajaz, M.; Ali, Y.; Andronov, E.; Antićić, T.; Antoniou, N.; Baatar, B.; Bay, F.; Blondel, A.; Blümer, J.; Bogomilov, M.; Brandin, A.; Bravar, A.; Brzychczyk, J.; Bunyatov, S. A.; Busygina, O.; Christakoglou, P.; Ćirković, M.; Czopowicz, T.; Davis, N.; Debieux, S.; Dembinski, H.; Deveaux, M.; Diakonos, F.; Di Luise, S.; Dominik, W.; Dumarchez, J.; Dynowski, K.; Engel, R.; Ereditato, A.; Feofilov, G. A.; Fodor, Z.; Garibov, A.; Gaździcki, M.; Golubeva, M.; Grebieszkow, K.; Grzeszczuk, A.; Guber, F.; Haesler, A.; Hasegawa, T.; Hervé, A. E.; Hierholzer, M.; Igolkin, S.; Ivashkin, A.; Johnson, S. R.; Kadija, K.; Kapoyannis, A.; Kaptur, E.; Kisiel, J.; Kobayashi, T.; Kolesnikov, V. I.; Kolev, D.; Kondratiev, V. P.; Korzenev, A.; Kowalik, K.; Kowalski, S.; Koziel, M.; Krasnoperov, A.; Kuich, M.; Kurepin, A.; Larsen, D.; László, A.; Lewicki, M.; Lyubushkin, V. V.; Maćkowiak-Pawłowska, M.; Maksiak, B.; Malakhov, A. I.; Manić, D.; Marcinek, A.; Marino, A. D.; Marton, K.; Mathes, H.-J.; Matulewicz, T.; Matveev, V.; Melkumov, G. L.; Messerly, B.; Mills, G. B.; Morozov, S.; Mrówczyński, S.; Nagai, Y.; Nakadaira, T.; Naskręt, M.; Nirkko, M.; Nishikawa, K.; Panagiotou, A. D.; Paolone, V.; Pavin, M.; Petukhov, O.; Pistillo, C.; Płaneta, R.; Popov, B. A.; Posiadała-Zezula, M.; Puławski, S.; Puzović, J.; Rauch, W.; Ravonel, M.; Redij, A.; Renfordt, R.; Richter-Wąs, E.; Robert, A.; Röhrich, D.; Rondio, E.; Roth, M.; Rubbia, A.; Rumberger, B. T.; Rustamov, A.; Rybczynski, M.; Sadovsky, A.; Sakashita, K.; Sarnecki, R.; Schmidt, K.; Sekiguchi, T.; Selyuzhenkov, I.; Seryakov, A.; Seyboth, P.; Sgalaberna, D.; Shibata, M.; Słodkowski, M.; Staszel, P.; Stefanek, G.; Stepaniak, J.; Ströbele, H.; Šuša, T.; Szuba, M.; Tada, M.; Taranenko, A.; Tefelska, A.; Tefelski, D.; Tereshchenko, V.; Tsenov, R.; Turko, L.; Ulrich, R.; Unger, M.; Vassiliou, M.; Veberič, D.; Vechernin, V. V.; Vesztergombi, G.; Vinogradov, L.; Wilczek, A.; Włodarczyk, Z.; Wojtaszek-Szwarc, A.; Wyszyński, O.; Yarritu, K.; Zambelli, L.; Zimmerman, E. D.; Friend, M.; Galymov, V.; Hartz, M.; Hiraki, T.; Ichikawa, A.; Kubo, H.; Matsuoka, K.; Murakami, A.; Nakaya, T.; Suzuki, K.; Tzanov, M.; Yu, M.

    2016-11-01

    Measurements of particle emission from a replica of the T2K 90 cm-long carbon target were performed in the NA61/SHINE experiment at CERN SPS, using data collected during a high-statistics run in 2009. An efficient use of the long-target measurements for neutrino flux predictions in T2K requires dedicated reconstruction and analysis techniques. Fully-corrected differential yields of π ^± -mesons from the surface of the T2K replica target for incoming 31 GeV/ c protons are presented. A possible strategy to implement these results into the T2K neutrino beam predictions is discussed and the propagation of the uncertainties of these results to the final neutrino flux is performed.

  17. Efficient Analysis of Surface-Wire Configurations Using AIM and Best Uniform Rational Approximation

    Institute of Scientific and Technical Information of China (English)

    DONG Hailin; GONG Shuxi; WANG Xing; ZHANG Penfei; ZHAO Bo

    2015-01-01

    The Adaptive integral method (AIM) in conjunction with the best uniform approximation tech-nique is applied to analyze the electromagnetic problems of surface-wire junction geometries over a wide frequency band. To improve the computation efficiency, the best uniform approximation method is utilized. The AIM can reduce memory requirements and accelerate the matrix-vector multiplications in iterative process. Some numeri-cal examples are shown to demonstrate the efficiency and accuracy of the proposed method. Compared with the di-rect solution method and Asymptotic waveform evaluation (AWE) technique, the proposed technique is found to be efficient in a broadband with the lower Central processing unit (CPU) time required and without loss of accuracy.

  18. Clinical Application of AIMS65 Scores to Predict Outcomes in Patients with Upper Gastrointestinal Hemorrhage

    Science.gov (United States)

    Sharma, Manik; John, Anil K; Al-Ejji, Khalid Mohsin; Wani, Hamidulla; Sultan, Khaleel; Al-Mohannadi, Muneera; Yakoob, Rafie; Derbala, Moutaz; Al-Dweik, Nazeeh; Butt, Muhammed Tariq; Al-Kaabi, Saad Rashid

    2015-01-01

    Background/Aims To evaluate the ability of the recently proposed albumin, international normalized ratio (INR), mental status, systolic blood pressure, age >65 years (AIMS65) score to predict mortality in patients with acute upper gastrointestinal bleeding (UGIB). Methods AIMS65 scores were calculated in 251 consecutive patients presenting with acute UGIB by allotting 1 point each for albumin level 1.5, alteration in mental status, systolic blood pressure ≤90 mm Hg, and age ≥65 years. Risk stratification was done during the initial 12 hours of hospital admission. Results Intensive care unit (ICU) admission, endoscopic therapy, or surgery were required in 51 patients (20.3%), 64 (25.5%), and 12 (4.8%), respectively. The predictive accuracy of AIMS65 scores ≥2 was high for blood transfusion (area under the receiver operator characteristic curve [AUROC], 0.59), ICU admission (AUROC, 0.61), and mortality (AUROC, 0.74). The overall mortality was 10.3% (n=26), and was 3%, 7.8%, 20%, 36%, and 40% for AIMS65 scores of 0, 1, 2, 3, and 4, respectively; these values were significantly higher in those with scores ≥2 (30.9%) than in those with scores <2 (4.5%, p<0.001). Conclusions AIMS65 is a simple, accurate, non-endoscopic risk score that can be applied early (within 12 hours of hospital admission) in patients with acute UGIB. AIMS65 scores ≥2 predict high in-hospital mortality. PMID:26473120

  19. Thirty years of artificial intelligence in medicine (AIME) conferences: A review of research themes.

    Science.gov (United States)

    Peek, Niels; Combi, Carlo; Marin, Roque; Bellazzi, Riccardo

    2015-09-01

    Over the past 30 years, the international conference on Artificial Intelligence in MEdicine (AIME) has been organized at different venues across Europe every 2 years, establishing a forum for scientific exchange and creating an active research community. The Artificial Intelligence in Medicine journal has published theme issues with extended versions of selected AIME papers since 1998. To review the history of AIME conferences, investigate its impact on the wider research field, and identify challenges for its future. We analyzed a total of 122 session titles to create a taxonomy of research themes and topics. We classified all 734 AIME conference papers published between 1985 and 2013 with this taxonomy. We also analyzed the citations to these conference papers and to 55 special issue papers. We identified 30 research topics across 12 themes. AIME was dominated by knowledge engineering research in its first decade, while machine learning and data mining prevailed thereafter. Together these two themes have contributed about 51% of all papers. There have been eight AIME papers that were cited at least 10 times per year since their publication. There has been a major shift from knowledge-based to data-driven methods while the interest for other research themes such as uncertainty management, image and signal processing, and natural language processing has been stable since the early 1990s. AIME papers relating to guidelines and protocols are among the most highly cited. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Initial binding of ions to the interhelical loops of divalent ion transporter CorA: replica exchange molecular dynamics simulation study.

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    Tong Zhang

    Full Text Available Crystal structures of Thermotoga maritima magnesium transporter CorA, reported in 2006, revealed its homo-pentameric constructions. However, the structure of the highly conserved extracellular interhelical loops remains unsolved, due to its high flexibility. We have explored the configurations of the loops through extensive replica exchange molecular dynamics simulations in explicit solvent model with the presence of either Co(III Hexamine ions or Mg(2+ ions. We found that there are multiple binding sites available on the interhelical loops in which the negatively charged residues, E316 and E320, are located notably close to the positively charged ions during the simulations. Our simulations resolved the distinct binding patterns of the two kinds of ions: Co(III Hexamine ions were found to bind stronger with the loop than Mg(2+ ions with binding free energy -7.3 kJ/mol lower, which is nicely consistent with the previous data. Our study provides an atomic basis description of the initial binding process of Mg(2+ ions on the extracellular interhelical loops of CorA and the detailed inhibition mechanism of Co(III Hexamine ions on CorA ions transportation.