Sample records for reaction coordinate suggested

  1. Reaction Coordinates and Mechanistic Hypothesis Tests.

    Peters, Baron


    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches.

  2. Reaction Coordinates and Mechanistic Hypothesis Tests

    Peters, Baron


    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches.

  3. Nonlinear reaction coordinate analysis in the reweighted path ensemble

    Lechner, W.; Rogal, J.; Juraszek, J.; Ensing, B.; Bolhuis, P.G.


    We present a flexible nonlinear reaction coordinate analysis method for the transition path ensemble based on the likelihood maximization approach developed by Peters and Trout [J. Chem. Phys. 125, 054108 (2006)] . By parametrizing the reaction coordinate by a string of images in a collective variab

  4. Recent Developments in Methods for Identifying Reaction Coordinates

    Li, Wenjin


    In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the reaction coordinates based on limited information from molecular dynamics simulations. In this review, we provide a brief survey over a number of major methods developed in the past decade, some of which are discussed in greater detail, to provide an overview of the problems that are partially solved and challenges that still remain. A particular emphasis has been placed on methods for identifying reaction coordinates that are related to the committor.

  5. Recent developments in methods for identifying reaction coordinates.

    Li, Wenjin; Ma, Ao


    In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the reaction coordinates based on limited information from molecular dynamics simulations. In this review, we provide a brief survey over a number of major methods developed in the past decade, some of which are discussed in greater detail, to provide an overview of the problems that are partially solved and challenges that still remain. A particular emphasis has been placed on methods for identifying reaction coordinates that are related to the committor.

  6. A benchmark for reaction coordinates in the transition path ensemble.

    Li, Wenjin; Ma, Ao


    The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems.

  7. Reactivity of bromoalkanes in reactions of coordinated molecular decay

    Pokidova, T. S.; Denisov, E. T.


    The results from experiments on reactions of the coordinated molecular decay of RBr bromoalkanes on olefin and HBr are analyzed using the model of intersecting parabolas (MIP). Kinetic parameters within the MIP are calculated from the experimental data, enabling calculation of the activation energies ( E) and rate constants ( k) of such reactions, based on the enthalphy of the reaction and the MIP algorithms. The factors affecting the E of the RBr decay reaction are established: the enthalphy of the reaction, triplet repulsion, the energy of radical R• stabilization, the presence of a π bond adjacent to the reaction center, and the dipole-dipole interaction of polar groups. The energy spectrum of the partial energies of activation is constructed for the reaction of coordinated molecular decay of RBr, and the E and k of inverse addition reactions are evaluated.

  8. The stochastic separatrix and the reaction coordinate for complex systems.

    Antoniou, Dimitri; Schwartz, Steven D


    We present a new approach to the identification of degrees of freedom which comprise a reaction coordinate in a complex system. The method begins with the generation of an ensemble of reactive trajectories. Each trajectory is analyzed for its equicommittor position or transition state; then the transition state ensemble is identified as the stochastic separatrix. Numerical analysis of the points along the separatrix for variability of coordinate location correctly identifies the components of the reaction coordinate in a test system of a double well coupled to a promoting vibration and a bath of linearly coupled oscillators.

  9. Acute skin reaction suggestive of pembrolizumab-induced radiosensitization.

    Sibaud, Vincent; David, Isabelle; Lamant, Laurence; Resseguier, Sarah; Radut, Roxana; Attal, Justine; Meyer, Nicolas; Delord, Jean-Pierre


    The combination of localized radiotherapy and immune checkpoint inhibitors represents a promising therapeutic strategy for various cancers, including metastatic melanoma. Radiation therapy may enhance tumor antigen presentation and cytokine release, which may optimize the systemic antitumor immune response induced by these immunotherapeutic antibodies, with a potential delayed abscopal effect. However, clinical experience of using immune checkpoint inhibitors with concurrent radiotherapy remains scarce. We report here for the first time a case suggestive of acute skin radiosensitization induced by pembrolizumab, with a suggestive time relationship between the completion of ionizing radiation, drug administration, and rapid onset of the skin reaction. This suggests that radiation therapy may also interact rapidly with anti-programmed-death 1 antibodies. Therefore, caution should be exercised when prescribing this combination therapy in advanced cancers.

  10. The reaction force: Three key points along an intrinsic reaction coordinate

    Peter Politzer; Alejandro Toro-Labbé; Soledad Gutiérrez-Oliva; Bárbara herrera; Pablo Jaque; Monica C Concha; Jane S Murray


    The concept of the reaction force is presented and discussed in detail. For typical processes with energy barriers, it has a universal form which defines three key points along an intrinsic reaction coordinate: the force minimum, zero and maximum. We suggest that the resulting four zones be interpreted as involving preparation of reactants in the first, transition to products in the second and third, and relaxation in the fourth. This general picture is supported by the distinctive patterns of the variations in relevant electronic properties. Two important points that are brought out by the reaction force are that (a) the traditional activation energy comprises two separate contributions, and (b) the transition state corresponds to a balance between the driving and the retarding forces.

  11. How wet should be the reaction coordinate for ligand unbinding?

    Tiwary, Pratyush


    We use a recently proposed method called Spectral Gap Optimization of Order Parameters (SGOOP) (Tiwary and Berne, Proc. Natl. Acad. Sci 2016, 113, 2839 (2016)), to determine an optimal 1-dimensional reaction coordinate (RC) for the unbinding of a bucky-ball from a pocket in explicit water. This RC is estimated as a linear combination of the multiple available order parameters that collectively can be used to distinguish the various stable states relevant for unbinding. We pay special attention to determining and quantifying the degree to which water molecules should be included in the RC. Using SGOOP with under-sampled biased simulations, we predict that water plays a distinct role in the reaction coordinate for unbinding in the case when the ligand is sterically constrained to move along an axis of symmetry. This prediction is validated through extensive calculations of the unbinding times through metadynamics, and by comparison through detailed balance with unbiased molecular dynamics estimate of the bindin...

  12. Simulations of Pore Formation in Lipid Membranes: Reaction Coordinates, Convergence, Hysteresis, and Finite-Size Effects.

    Awasthi, Neha; Hub, Jochen S


    Transmembrane pores play an important role in various biophysical processes such as membrane permeation, membrane fusion, and antimicrobial peptide activity. In principal, all-atom molecular dynamics (MD) simulations provide an accurate model of pore formation in lipid membranes. However, the free energy landscape of transmembrane pore formation remains poorly understood, partly because potential of mean force (PMF) calculations of pore formation strongly depend on the choice of the reaction coordinate. In this study, we used umbrella sampling to compute PMFs for pore formation using three different reaction coordinates, namely, (i) a coordinate that steers the lipids in the lateral direction away from the pore center, (ii) the distance of a single lipid phosphate group from the membrane center, and (iii) the average water density inside a membrane-spanning cylinder. Our results show that while the three reaction coordinates efficiently form pores in membranes, they suffer from strong hysteresis between pore-opening and pore-closing simulations, suggesting that they do not restrain the systems close to the transition state for pore formation. The two reaction coordinates that act via restraining the lipids lead to more pronounced hysteresis compared with the coordinate acting on the water molecules. By comparing PMFs computed from membranes with different numbers of lipids, we observed significant artifacts from the periodic boundary conditions in small simulation systems. Further analysis suggests that the formation and disruption of a continuous hydrogen-bonding network across the membrane corresponds to the transition state for pore formation. Our study provides molecular insights into the critical steps of transmembrane pore formation, and it may guide the development of efficient reaction coordinates for pore formation.

  13. Reaction mechanism and reaction coordinates from the viewpoint of energy flow.

    Li, Wenjin; Ma, Ao


    Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C7eq → C7ax transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

  14. The influence of gymnastics in motor coordination and reaction time in urban public bus drivers

    Stela Paula Mezzomo


    Full Text Available This study investigated the influence of labour gymnastics (LG on bus drivers' basic skills such as reaction time and gross motor coordination. Sixty male bus drivers (37.06 ± 7.66 years old from two bus lines in the city of Santa Maria (RS took part of this study. The participants were split into two groups, experimental group (EG and control group (CG. Subjects that were part of the EG took part in a LG intervention program, 2-3 times a week, over a year. Gross motor coordination was assessed by BURPEE Protocol (Johnson & Nelson, 1979, whereas reaction time by software providing a visual stimulus. Data normality was checked through Shapiro-Wilk test, which pointed to normal distribution only for the variables simple reaction time (SRT and choice reaction time (CRT in the EG. Therefore the non-parametric Mann-Whitney U test was selected to compare differences between groups. A statistically significant difference for gross motor coordination was found (z= −2.525, p= 0.012, suggesting the effectiveness of LG to improve motor skills. As regards SRT and CRT, no significant difference was found, in spite of better outcomes having been recorded after the LG program.

  15. Coordinating the Provision of Health Services in Humanitarian Crises: a Systematic Review of Suggested Models

    Lotfi, Tamara; Bou-Karroum, Lama; Darzi, Andrea; Hajjar, Rayan; El Rahyel, Ahmed; El Eid, Jamale; Itani, Mira; Brax, Hneine; Akik, Chaza; Osman, Mona; Hassan, Ghayda; El-Jardali, Fadi; Akl, Elie


    Background: Our objective was to identify published models of coordination between entities funding or delivering health services in humanitarian crises, whether the coordination took place during or after the crises. Methods: We included reports describing models of coordination in sufficient detail to allow reproducibility. We also included reports describing implementation of identified models, as case studies. We searched Medline, PubMed, EMBASE, Cochrane Central Register of Controlled Tr...

  16. Research and Suggestions on the Coordinated Management and Protection of Intellectual Property in China



    From two aspects of intellectual property management, namely the subject and the object,this article discusses the development and im-provement of intellectual property system in China and the gap and problems existed compared with developed countries. Based on this, the issue ofhow to improve the coordinated management of intellectual property is studied and the relevant proposals are put forward.

  17. Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.

    Peters, Baron; Bolhuis, Peter G; Mullen, Ryan G; Shea, Joan-Emma


    We propose a method for identifying accurate reaction coordinates among a set of trial coordinates. The method applies to special cases where motion along the reaction coordinate follows a one-dimensional Smoluchowski equation. In these cases the reaction coordinate can predict its own short-time dynamical evolution, i.e., the dynamics projected from multiple dimensions onto the reaction coordinate depend only on the reaction coordinate itself. To test whether this property holds, we project an ensemble of short trajectory swarms onto trial coordinates and compare projections of individual swarms to projections of the ensemble of swarms. The comparison, quantified by the Kullback-Leibler divergence, is numerically performed for each isosurface of each trial coordinate. The ensemble of short dynamical trajectories is generated only once by sampling along an initial order parameter. The initial order parameter should separate the reactants and products with a free energy barrier, and distributions on isosurfaces of the initial parameter should be unimodal. The method is illustrated for three model free energy landscapes with anisotropic diffusion. Where exact coordinates can be obtained from Kramers-Langer-Berezhkovskii-Szabo theory, results from the new method agree with the exact results. We also examine characteristics of systems where the proposed method fails. We show how dynamical self-consistency is related (through the Chapman-Kolmogorov equation) to the earlier isocommittor criterion, which is based on longer paths.

  18. Fep1d: a script for the analysis of reaction coordinates.

    Banushkina, Polina V; Krivov, Sergei V


    The dynamics of complex systems with many degrees of freedom can be analyzed by projecting it onto one or few coordinates (collective variables). The dynamics is often described then as diffusion on a free energy landscape associated with the coordinates. Fep1d is a script for the analysis of such one-dimensional coordinates. The script allows one to construct conventional and cut-based free energy profiles, to assess the optimality of a reaction coordinate, to inspect whether the dynamics projected on the coordinate is diffusive, to transform (rescale) the reaction coordinate to more convenient ones, and to compute such quantities as the mean first passage time, the transition path times, the coordinate dependent diffusion coefficient, and so forth. Here, we describe the implemented functionality together with the underlying theoretical framework.

  19. Suggested Safeguards and Limitations for Effective and Permissible Parenting Coordination (Facilitation or Case Management in South Africa

    Madelene (Leentjie de Jong


    arbitration in respect of matrimonial matters. Lastly, the cost of parenting coordination is indicated as an area of contention. To properly address these problems, various safeguards for and limitations on parenting coordination practice are considered. It is proposed that the internationally accepted term "parenting coordination" is also consistently used in South Africa. It is further proposed that adequate qualifications, proper training and sufficient experience for parenting coordinators are set. To counter the argument that parenting coordination is an unlawful delegation of judicial power, the necessary authority for courts to refer parties for parenting coordination is sought, firstly in the inherent power of the High Court as upper guardian to ensure the best interests of children, and secondly in the Children's Act and the Constitution of the Republic of South Africa, 1996 as far as the children's court and divorce courts are concerned. In addition, various limitations regarding the conditions under which and the stage at which a parenting coordinator should be appointed, the scope of a parenting coordinator's decision-making powers and the finality of his or her directives are suggested. Lastly, the issue of the affordability of parenting coordination is addressed and suggestions are made on ways to provide fair access to this new intervention

  20. [Determination of enthalpy change of coordinating color reaction by UV-Vis absorption spectrum method].

    Yang, D; An, L; Chen, L


    In this paper, a simple experimental method for the determination of enthalpy change of coordinating color reaction has been proposed and a relation formula between absorption and temperature has been deduced. Using coordinating color reaction of cobalt(II) thiocyanate in Tween-80 medium, the linear relation of this formula has been validated: r = 0.9957 and delta H = -44.7 kJ.mol-1, which is accordant with the result obtained from Van't Hoff equation.

  1. Definition and determination of the triplet-triplet energy transfer reaction coordinate

    Zapata, Felipe; Marazzi, Marco; Castaño, Obis; Frutos, Luis Manuel, E-mail: [Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid (Spain); Acuña, A. Ulises [Instituto de Química Física “Rocasolano”, C.S.I.C., Serrano 119, 28006 Madrid (Spain)


    A definition of the triplet-triplet energy transfer reaction coordinate within the very weak electronic coupling limit is proposed, and a novel theoretical formalism is developed for its quantitative determination in terms of internal coordinates The present formalism permits (i) the separation of donor and acceptor contributions to the reaction coordinate, (ii) the identification of the intrinsic role of donor and acceptor in the triplet energy transfer process, and (iii) the quantification of the effect of every internal coordinate on the transfer process. This formalism is general and can be applied to classical as well as to nonvertical triplet energy transfer processes. The utility of the novel formalism is demonstrated here by its application to the paradigm of nonvertical triplet-triplet energy transfer involving cis-stilbene as acceptor molecule. In this way the effect of each internal molecular coordinate in promoting the transfer rate, from triplet donors in the low and high-energy limit, could be analyzed in detail.

  2. Placebo Effect upon Complex Reaction Time When Hypnotic Suggestibility is Controlled.

    Eskridge, Veronica L.

    This study was designed to investigate the effect of a placebo (sugar pill) accompanied by suggestions that the pill would either (1) improve performance as a stimulant or (2) cause a deterioration in performance as a depressant when the performance in question was the subjects' complex reaction time to a light stimulus. The Harvard Group Scale of…

  3. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J


    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

  4. Path optimization by a variational reaction coordinate method. II. Improved computational efficiency through internal coordinates and surface interpolation.

    Birkholz, Adam B; Schlegel, H Bernhard


    Reaction path optimization is being used more frequently as an alternative to the standard practice of locating a transition state and following the path downhill. The Variational Reaction Coordinate (VRC) method was proposed as an alternative to chain-of-states methods like nudged elastic band and string method. The VRC method represents the path using a linear expansion of continuous basis functions, allowing the path to be optimized variationally by updating the expansion coefficients to minimize the line integral of the potential energy gradient norm, referred to as the Variational Reaction Energy (VRE) of the path. When constraints are used to control the spacing of basis functions and to couple the minimization of the VRE with the optimization of one or more individual points along the path (representing transition states and intermediates), an approximate path as well as the converged geometries of transition states and intermediates along the path are determined in only a few iterations. This algorithmic efficiency comes at a high per-iteration cost due to numerical integration of the VRE derivatives. In the present work, methods for incorporating redundant internal coordinates and potential energy surface interpolation into the VRC method are described. With these methods, the per-iteration cost, in terms of the number of potential energy surface evaluations, of the VRC method is reduced while the high algorithmic efficiency is maintained.

  5. Rate constant and reaction coordinate of Trp-cage folding in explicit water

    Juraszek, J.; Bolhuis, P.G.


    We report rate constant calculations and a reaction coordinate analysis of the rate-limiting folding and unfolding process of the Trp-cage mini-protein in explicit solvent using transition interface sampling. Previous transition path sampling simulations revealed that in this (un)folding process the

  6. Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

    Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R


    The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a

  7. Dynamic reaction coordinate in thermally fluctuating environment in the framework of the multidimensional generalized Langevin equations.

    Kawai, Shinnosuke; Komatsuzaki, Tamiki


    A framework recently developed for the extraction of a dynamic reaction coordinate to mediate reactions buried in a multidimensional Langevin equation is extended to the generalized Langevin equations without a priori assumption of the forms of the potential (in general, nonlinearly coupled systems) and the friction kernel. The equation of motion with memory effect can be transformed into an equation without memory at the cost of an increase in the dimensionality of the system, and hence the theoretical framework developed for the (nonlinear) Langevin formulation can be generalized to the non-Markovian process with colored noise. It is found that the increased dimension can be physically interpreted as effective modes of the fluctuating environment. As an illustrative example, we apply this theory to a multidimensional generalized Langevin equation for motion on the Müller-Brown potential surface with an exponential friction kernel. Numerical simulations find a boundary between the highly reactive region and the less reactive region in the space of initial conditions. The location of the boundary is found to depend significantly on both the memory kernel and the nonlinear couplings. The theory extracts a reaction coordinate whose sign determines the fate of the reaction taking into account thermally fluctuating environments, memory effect, and nonlinearities. It is found that the location of the boundary of reactivity is satisfactorily reproduced as the zero of the statistical average of the new reaction coordinate, which is an analytical functional of both the original position coordinates and velocities of the system, and of the properties of the environment.

  8. Path optimization by a variational reaction coordinate method. I. Development of formalism and algorithms.

    Birkholz, Adam B; Schlegel, H Bernhard


    The development of algorithms to optimize reaction pathways between reactants and products is an active area of study. Existing algorithms typically describe the path as a discrete series of images (chain of states) which are moved downhill toward the path, using various reparameterization schemes, constraints, or fictitious forces to maintain a uniform description of the reaction path. The Variational Reaction Coordinate (VRC) method is a novel approach that finds the reaction path by minimizing the variational reaction energy (VRE) of Quapp and Bofill. The VRE is the line integral of the gradient norm along a path between reactants and products and minimization of VRE has been shown to yield the steepest descent reaction path. In the VRC method, we represent the reaction path by a linear expansion in a set of continuous basis functions and find the optimized path by minimizing the VRE with respect to the linear expansion coefficients. Improved convergence is obtained by applying constraints to the spacing of the basis functions and coupling the minimization of the VRE to the minimization of one or more points along the path that correspond to intermediates and transition states. The VRC method is demonstrated by optimizing the reaction path for the Müller-Brown surface and by finding a reaction path passing through 5 transition states and 4 intermediates for a 10 atom Lennard-Jones cluster.

  9. Overlapping gene structure of the human neuropeptide Y receptor subtypes Y1 and Y5 suggests coordinate transcriptional regulation

    Herzog, H.; Darby, K.; Ball, H. [St. Vincent`s Hospital, Sydney (Australia)] [and others


    The human y1 and y5 receptor genes are transcribed in opposite directions from a common promoter region on chromosome 4q31-q32. One of the alternately spliced 5{prime} exons of the y1 receptor gene (1C) is also an integral part of the coding region of a novel neuropeptide Y receptor, Y5. Exon 1C of the y1 receptor gene, if translated from the opposite strand, encodes sequences corresponding to the large third intracellular loop of the Y5 receptor. The close proximity of the two neuropeptide Y receptor genes suggests that they have evolved from a gene duplication event with the small intron interrupting the coding sequence of the y1 gene being converted into a functional sequence within the y5 gene, while the reverse complementary sequence was utilized as an alternatively spliced 5{prime} exon for the y1 gene. The transcription of both genes from opposite strands of the same DNA sequence suggests that transcriptional activation of one will have an effect on the regulation of gene expression of the other. As both Y1 and Y5 receptors are thought to play an important role in the regulation of food intake, coordinate expression of their specific genes may be important in the modulation of NPY activity. 23 refs., 2 figs.

  10. Reaction Rate Theory in Coordination Number Space: An Application to Ion Solvation

    Roy, Santanu; Baer, Marcel D.; Mundy, Christopher J.; Schenter, Gregory K.


    Understanding reaction mechanisms in many chemical and biological processes require application of rare event theories. In these theories, an effective choice of a reaction coordinate to describe a reaction pathway is essential. To this end, we study ion solvation in water using molecular dynamics simulations and explore the utility of coordination number (n = number of water molecules in the first solvation shell) as the reaction coordinate. Here we compute the potential of mean force (W(n)) using umbrella sampling, predicting multiple metastable n-states for both cations and anions. We find with increasing ionic size, these states become more stable and structured for cations when compared to anions. We have extended transition state theory (TST) to calculate transition rates between n-states. TST overestimates the rate constant due to solvent-induced barrier recrossings that are not accounted for. We correct the TST rates by calculating transmission coefficients using the reactive flux method. This approach enables a new way of understanding rare events involving coordination complexes. We gratefully acknowledge Liem Dang and Panos Stinis for useful discussion. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. SR, CJM, and GKS were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy.

  11. The fasted/fed mouse metabolic acetylome: N6-acetylation differences suggest acetylation coordinates organ-specific fuel switching.

    Yang, Li; Vaitheesvaran, Bhavapriya; Hartil, Kirsten; Robinson, Alan J; Hoopmann, Michael R; Eng, Jimmy K; Kurland, Irwin J; Bruce, James E


    The elucidation of extra-nuclear lysine acetylation has been of growing interest, as the cosubstrate for acetylation, acetyl CoA, is at a key metabolic intersection. Our hypothesis was that mitochondrial and cytoplasmic protein acetylation may be part of a fasted/re-fed feedback control system for the regulation of the metabolic network in fuel switching, where acetyl CoA would be provided by fatty acid oxidation, or glycolysis, respectively. To test this, we characterized the mitochondrial and cytoplasmic acetylome in various organs that have a high metabolic rate relative to their mass, and/or switch fuels, under fasted and re-fed conditions (brain, kidney, liver, skeletal muscle, heart muscle, white and brown adipose tissues). Using immunoprecipitation, coupled with LC-MS/MS label free quantification, we show there is a dramatic variation in global quantitative profiles of acetylated proteins from different organs. In total, 733 acetylated peptides from 337 proteins were identified and quantified, out of which 31 acetylated peptides from the metabolic proteins that may play organ-specific roles were analyzed in detail. Results suggest that fasted/re-fed acetylation changes coordinated by organ-specific (de)acetylases in insulin-sensitive versus -insensitive organs may underlie fuel use and switching. Characterization of the tissue-specific acetylome should increase understanding of metabolic conditions wherein normal fuel switching is disrupted, such as in Type II diabetes.

  12. Influence of the Ion Coordination Number on Cation Exchange Reactions with Copper Telluride Nanocrystals.

    Tu, Renyong; Xie, Yi; Bertoni, Giovanni; Lak, Aidin; Gaspari, Roberto; Rapallo, Arnaldo; Cavalli, Andrea; Trizio, Luca De; Manna, Liberato


    Cu2-xTe nanocubes were used as starting seeds to access metal telluride nanocrystals by cation exchanges at room temperature. The coordination number of the entering cations was found to play an important role in dictating the reaction pathways. The exchanges with tetrahedrally coordinated cations (i.e., with coordination number 4), such as Cd(2+) or Hg(2+), yielded monocrystalline CdTe or HgTe nanocrystals with Cu2-xTe/CdTe or Cu2-xTe/HgTe Janus-like heterostructures as intermediates. The formation of Janus-like architectures was attributed to the high diffusion rate of the relatively small tetrahedrally coordinated cations, which could rapidly diffuse in the Cu2-xTe NCs and nucleate the CdTe (or HgTe) phase in a preferred region of the host structure. Also, with both Cd(2+) and Hg(2+) ions the exchange led to wurtzite CdTe and HgTe phases rather than the more stable zinc-blende ones, indicating that the anion framework of the starting Cu2-xTe particles could be more easily deformed to match the anion framework of the metastable wurtzite structures. As hexagonal HgTe had never been reported to date, this represents another case of metastable new phases that can only be accessed by cation exchange. On the other hand, the exchanges involving octahedrally coordinated ions (i.e., with coordination number 6), such as Pb(2+) or Sn(2+), yielded rock-salt polycrystalline PbTe or SnTe nanocrystals with Cu2-xTe@PbTe or Cu2-xTe@SnTe core@shell architectures at the early stages of the exchange process. In this case, the octahedrally coordinated ions are probably too large to diffuse easily through the Cu2-xTe structure: their limited diffusion rate restricts their initial reaction to the surface of the nanocrystals, where cation exchange is initiated unselectively, leading to core@shell architectures. Interestingly, these heterostructures were found to be metastable as they evolved to stable Janus-like architectures if annealed at 200 °C under vacuum.

  13. Influence of the Ion Coordination Number on Cation Exchange Reactions with Copper Telluride Nanocrystals

    Tu, Renyong; Bertoni, Giovanni; Lak, Aidin; Gaspari, Roberto; Rapallo, Arnaldo; Cavalli, Andrea; De Trizio, Luca; Manna, Liberato


    Cu2-xTe nanocubes were used as starting seeds to access metal telluride nanocrystals by cation exchanges at room temperature. The coordination number of the entering cations was found to play an important role in dictating the reaction pathways. The exchanges with tetrahedrally coordinated cations (i.e. with coordination number 4), such as Cd2+ or Hg2+, yielded monocrystalline CdTe or HgTe nanocrystals with Cu2-xTe/CdTe or Cu2-xTe/HgTe Janus-like heterostructures as intermediates. The formation of Janus-like architectures was attributed to the high diffusion rate of the relatively small tetrahedrally coordinated cations, which could rapidly diffuse in the Cu2-xTe NCs and nucleate the CdTe (or HgTe) phase in a preferred region of the host structure. Also, with both Cd2+ and Hg2+ ions the exchange led to wurtzite CdTe and HgTe phases rather than the more stable zinc-blende ones, indicating that the anion framework of the starting Cu2- xTe particles could be more easily deformed to match the anion framework of t...

  14. Reaction between radicals and N-alkoxyamines As coordinated cleavage with fragmentation

    Denisov, E. T.; Shestakov, A. F.


    Quantum chemical calculations of the enthalpy and activation energy of two reactions with MeO{2/⊙} attacking the CH- and CH2-groups of 2,2,6,6-tetramethylpiperidineoxy-2'-butane are performed. It is shown that the cleavage of hydrogen atoms is accompanied by coordinated breaking of N-O-bonds in the former case and C-O-bonds in the latter. Based on the obtained results, a new scheme is proposed for the cyclic mechanism behind the cleavage of chains on nitroxyl radicals in oxidizing hydrocarbons and polymers that agrees with experimental data. At the center of this cyclic mechanism lies the fast exothermic reaction between peroxyl radicals and N-alkoxyamine with the cleavage of H atoms and the coordinated fragmentation of molecules. Using the model of intersecting parabolas, an algorithm for calculating the enthalpies, activation energies, and rate constants of these reactions with the participation of alkyl, alkoxy, aminyl, peroxyl, phenoxyl, thiyl, and hydroxyl radicals is proposed.

  15. Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

    Hoffmann, Norbert


    Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions.

  16. Self-consistent collective coordinate for reaction path and inertial mass

    Wen, Kai


    We propose a numerical method to determine the optimal collective reaction path for the nucleus-nucleus collision, based on the adiabatic self-consistent collective coordinate (ASCC) method. We use an iterative method combining the imaginary-time evolution and the finite amplitude method, for the solution of the ASCC coupled equations. It is applied to the simplest case, the $\\alpha-\\alpha$ scattering. We determine the collective path, the potential, and the inertial mass. The results are compared with other methods, such as the constrained Hartree-Fock method, the Inglis's cranking formula, and the adiabatic time-dependent Hartree-Fock (ATDHF) method.

  17. Hydrophobic Encapsulated Phosphonium Salts-Synthesis of Weakly Coordinating Cations and their Application in Wittig Reactions.

    Moritz, Ralf; Wagner, Manfred; Schollmeyer, Dieter; Baumgarten, Martin; Müllen, Klaus


    Large and rigid tetraarylphosphonium tetrafluoroborate salts have been synthesized representing weakly coordinating cations with diameters of several nanometers. Divergent dendritic growth by means of thermal Diels-Alder cycloaddition was employed for the construction of the hydrophobic polyphenylene framework up to the third generation. X-ray crystal structure analysis of first-generation phosphonium tetrafluoroborate supported the rigidity of the non-collapsible shell around the phosphorus center and gave insight into solid-state packing and cation-anion distances. Copper(I)-catalyzed azide-alkyne ligation served as reliable method for the preparation of a first-generation triazolylphenyl hybrid phosphonium cation under mild reaction conditions. Furthermore, from the synthesis of triarylbenzylphosphonium bromides, Wittig precursors with unprecedented bulky substituents in the α-position were accessible. Employment of these precursors under Wittig conditions by treatment with base and subsequent reaction with aldehydes preferentially provided (Z)-olefins with bulky polyphenylene substituents.

  18. Virtual Screening for Transition State Analogue Inhibitors of IRAP Based on Quantum Mechanically Derived Reaction Coordinates.

    Svensson, Fredrik; Engen, Karin; Lundbäck, Thomas; Larhed, Mats; Sköld, Christian


    Transition state and high energy intermediate mimetics have the potential to be very potent enzyme inhibitors. In this study, a model of peptide hydrolysis in the active site of insulin-regulated aminopeptidase (IRAP) was developed using density functional theory calculations and the cluster approach. The 3D structure models of the reaction coordinates were used for virtual screening to obtain new chemical starting points for IRAP inhibitors. This mechanism-based virtual screening process managed to identify several known peptidase inhibitors from a library of over 5 million compounds, and biological testing identified one compound not previously reported as an IRAP inhibitor. This novel methodology for virtual screening is a promising approach to identify new inhibitors mimicking key transition states or intermediates of an enzymatic reaction.

  19. Hypersensitivity reactions to metallic implants-diagnostic algorithm and suggested patch test series for clinical use

    Schalock, Peter C; Menné, Torkil; Johansen, Jeanne D


    algorithm to guide the selection of screening allergen series for patch testing is provided. At a minimum, an extended baseline screening series and metal screening is necessary. Static and dynamic orthopaedic implants, intravascular stent devices, implanted defibrillators and dental and gynaecological......Cutaneous and systemic hypersensitivity reactions to implanted metals are challenging to evaluate and treat. Although they are uncommon, they do exist, and require appropriate and complete evaluation. This review summarizes the evidence regarding evaluation tools, especially patch and lymphocyte...... transformation tests, for hypersensitivity reactions to implanted metal devices. Patch test evaluation is the gold standard for metal hypersensitivity, although the results may be subjective. Regarding pre-implant testing, those patients with a reported history of metal dermatitis should be evaluated by patch...

  20. Perspective: Insight into reaction coordinates and dynamics from the potential energy landscape

    Wales, D. J.


    This perspective focuses on conceptual and computational aspects of the potential energy landscape framework. It has two objectives: first to summarise some key developments of the approach and second to illustrate how such techniques can be applied using a specific example that exploits knowledge of pathways. Recent developments in theory and simulation within the landscape framework are first outlined, including methods for structure prediction, analysis of global thermodynamic properties, and treatment of rare event dynamics. We then develop a connection between the kinetic transition network treatment of dynamics and a potential of mean force defined by a reaction coordinate. The effect of projection from the full configuration space to low dimensionality is illustrated for an atomic cluster. In this example, where a relatively successful structural order parameter is available, the principal change in cluster morphology is reproduced, but some details are not faithfully represented. In contrast, a profile based on configurations that correspond to the discrete path defined geometrically retains all the barriers and minima. This comparison provides insight into the physical origins of "friction" effects in low-dimensionality descriptions of dynamics based upon a reaction coordinate.

  1. A microiterative intrinsic reaction coordinate method for large QM/MM systems.

    Polyak, Iakov; Boulanger, Eliot; Sen, Kakali; Thiel, Walter


    Intrinsic reaction coordinate (IRC) computations are a valuable tool in theoretical studies of chemical reactions, but they can usually not be applied in their current form to handle large systems commonly described by quantum mechanics/molecular mechanics (QM/MM) methods. We report on a development that tackles this problem by using a strategy analogous to microiterative transition state optimization. In this approach, the IRC equations only govern the motion of a core region that contains at least the atoms directly involved in the reaction, while the remaining degrees of freedom are relaxed after each IRC step. This strategy can be used together with any existing IRC procedure. The present implementation covers the stabilized Euler, local quadratic approximation, and Hessian predictor-corrector algorithms for IRC calculations. As proof of principle, we perform tests at the QM level on small gas-phase systems and validate the results by comparisons with standard IRC procedures. The broad applicability of the method is demonstrated by IRC computations for two enzymatic reactions using standard QM/MM setups.

  2. One-step synthesis of nitrogen-iron coordinated carbon nanotube catalysts for oxygen reduction reaction

    Choi, Woongchul; Yang, Gang; Kim, Suk Lae; Liu, Peng; Sue, Hung-Jue; Yu, Choongho


    Prohibitively expensive precious metal catalysts for oxygen reduction reaction (ORR) have been one of the major hurdles in a wide use of electrochemical cells. Recent significant efforts to develop precious metal free catalysts have resulted in excellent catalytic activities. However, complicated and time-consuming synthesis processes have negated the cost benefit. Moreover, detailed analysis about catalytically active sites and the role of each element in these high-performance catalysts containing nanomaterials for large surface areas are often lacking. Here we report a facile one-step synthesis method of nitrogen-iron coordinated carbon nanotube (CNT) catalysts without precious metals. Our catalysts show excellent long-term stability and onset ORR potential comparable to those of other precious metal free catalysts, and the maximum limiting current density from our catalysts is larger than that of the Pt-based catalysts. We carry out a series of synthesis and characterization experiments with/without iron and nitrogen in CNT, and identify that the coordination of nitrogen and iron in CNT plays a key role in achieving the excellent catalytic performances. We anticipate our one-step process could be used for mass production of precious metal free electrocatalysts for a wide range of electrochemical cells including fuel cells and metal-air batteries.

  3. Solution-reaction Calorimetric Study of Coordination Compounds of Rare Earth Perchlorates with Alanine and Imidazole

    ZHAO, Yan-Ru(赵艳茹); HOU, An-Xin(侯安新); DONG, Jia-Xin(董家新); ZHAO, Shun-Sheng(赵顺省); LIU, Yi(刘义); QU, Song-Sheng(屈松生)


    Two coordination compounds of rare earth perchlorates with alanine and imidazole, [RE(Ala)n(Im)(H2O)](ClO4)3(s) (RE=La, n=3; RE=Nd, n=2), have been prepared and characterized. The standard molar enthalpies of reaction for the following two reactions, LaCL·7H2O(s)+3Ala(s)+Im(s)+3NaClO4(s)=[La(Ala).(Im)(H2O)]-(ClO4)3(s)+3NaCl(s)+6H2O(I)(1)and NdCl3·6H2O(s)+2Ala(s)+2Ala(s)+Im(s)+3NaClO4(s)=[Nd(Ala)2(Im)(H2O)]-(ClO4)3(s)+3NaCl(s)+5H2O(l) (2), were determined by solution-reaction calorimetry, at T=298.15 K, as 36.168 ±0.642kJ·mol-1 and 48.590±0.934kJ·mol-1 respectively. From the results and other auxiliary quantities, the standard molar enthalpies of formation of [La(Ala)3(Im)(H2O)](ClO4)3(s) and [Nd(Ala)2(Im)(H2O)] (ClO4)3(s) were derived,△fH(-)m{[La(Ala).(Im)(H2O)](ClO4)3,s}=(-2984.8±1.0)kJ·mol-1 and △fH(-)m{[Nd(Ala).(Im)(H2O)]-(ClO4)3,s}=(-2387.8±0.8)kJ·mol-1, respectively.

  4. Stability and Reactivity of Cyclometallated Naphthylamine Complexes in Pd-C Bond Insertion Reactions with Coordinated Alkynylphosphanes

    Chen, Shuli


    Phenylbis(phenylethynyl)phosphane PhP(C≡CPh)2 coordinates regiospecifically to the α-methyl-chiral ortho-platinated and -palladated naphthylamine units at the positions trans to the nitrogen donors. The P→Pt coordination bond is kinetically inert, whereas the P→Pd bond is labile. Upon heating of these phosphane complexes at 70 °C, one of the C≡C bonds in the coordinated PhP(C≡CPh)2 was activated towards an intermolecular Pd-C bond insertion reaction with an external ortho-palladated naphthylamine ring. No intramolecular insertion reaction occurred. In contrast to its palladium analogue, the ortho-platinated ring is not reactive towards coordinated PhP(C≡CPh)2, although it can promote the Pd-C bond insertion reaction. However, despite the high kinetic stability of the P→Pt coordination, the organoplatinum unit is a noticeably weaker activator than its organopalladium counterpart. The chirality of the reacting ortho-metallated naphthylamine ligand exhibited high stereochemical influence on the formation of the new stereogenic phosphorus center during the course of these C-C bond-formation reactions. The coordination chemistry and the absolute stereochemistry of the dimetallic products were determined by single-crystal X-ray crystallographic analysis. The asymmetric monoinsertion of PhP(C≡CPh)2 coordinated to a cyclometallated N,N-dimethyl naphthyl/benzylamine template into the Pd-C bonds of N,N-dimethylnaphthylamine palladacycles has been demonstrated for the synthesis of a variety of new P-stereogenic homo- or heterodimetallic complexes. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers

    Silva, Fausthon Fred da; Fernandes de Oliveira, Carlos Alberto; Lago Falcão, Eduardo Henrique [Laboratório de Terras Raras, Departamento de Química Fundamental, Universidade Federal de Pernambuco (DQF-UFPE), 50590-470 Recife, PE (Brazil); Gatto, Claudia Cristina [Laboratório de Síntese Inorgânica e Cristalografia, Instituto de Química, Universidade de Brasília (IQ-UnB), 70904-970 Brasilia, DF (Brazil); Bezerra da Costa, Nivan; Oliveira Freire, Ricardo [Pople Computational Chemistry Laboratory, Departamento de Química, Universidade Federal de Sergipe, São Cristóvão-SE 49100-000 (Brazil); Chojnacki, Jarosław [Department of Inorganic Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Alves Júnior, Severino, E-mail: [Laboratório de Terras Raras, Departamento de Química Fundamental, Universidade Federal de Pernambuco (DQF-UFPE), 50590-470 Recife, PE (Brazil)


    The organic ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P2{sub 1}/c monoclinic system as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric analysis. Two new coordination networks based on lanthanide ions were obtained with this ligand using hydrothermal reaction. In addition to single-crystal X-ray diffraction, the compounds were characterized by infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and elemental analysis. Single-crystal XRD showed that the compounds are isostructural, crystallizing in P2{sub 1}/n monoclinic system with chemical formula [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+}(1) and Eu{sup 3+}(2)).The luminescence properties of both compounds were studied. In the compound (1), a broad emission band was observed at 479 nm, redshifted by 70 nm in comparison of the free ligand. In (2), the typical f–f transition was observed with a maximum peak at 618 nm, related with the red emission of the europium ions. Computational methods were performed to simulate the crystal structure of (2). The theoretical calculations of the intensity parameters are in good agreement with the experimental values. - Graphical abstract: Scheme of obtaining the ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) and two new isostructural 3D-coordination polymers [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+} and Eu{sup 3+}) by hydrothermal synthesis. Display Omitted - Highlights: • The ligand 2,5-piperazinedione-1,4-diacetic acid was synthetized using the hydrothermic method and characterized. • Two new 3D-coordination polymers with this ligand containing Gd{sup 3+} and Eu{sup 3+} ions

  6. The Impact of Hypnotic Suggestions on Reaction Times in Continuous Performance Test in Adults with ADHD and Healthy Controls

    Virta, Maarit; Hiltunen, Seppo; Mattsson, Markus; Kallio, Sakari


    Attention is one of the key factors in both hypnotic processes and patients with ADHD. In addition, the brain areas associated with hypnosis and ADHD overlap in many respects. However, the use of hypnosis in ADHD patients has still received only minor attention in research. The main purpose of the present work was to investigate whether hypnosis and hypnotic suggestions influence the performance of adult ADHD (n = 27) and control participants (n = 31) in the continuous performance test (CPT). The hypnotic susceptibility of the participants was measured by the Harvard Group Scale of Hypnotic Susceptibility (HGSHS:A) and the attentional task was a three minute long auditory version of the CPT. The CPT task was administered four times: before hypnosis (CPT1), after a hypnotic induction (CPT2), after suggestions about speed and accuracy (CPT3), and after the termination of hypnosis (CPT4). The susceptibility of the groups measured by HGSHS:A did not differ. There was a statistically significant decrease in reaction times in both ADHD and control groups between CPT2 and CPT3. The differences between CPT1 and CPT2, even though non-significant, were different in the two groups: in the ADHD group reaction times decreased whereas in the control group they increased. Both groups made very few errors in the short CPT. This study indicates that hypnotic suggestions have an effect on reaction times in the sustained attention task both in adult ADHD patients and control subjects. The theoretical and clinical implications are discussed. PMID:25962151

  7. The impact of hypnotic suggestions on reaction times in continuous performance test in adults with ADHD and healthy controls.

    Virta, Maarit; Hiltunen, Seppo; Mattsson, Markus; Kallio, Sakari


    Attention is one of the key factors in both hypnotic processes and patients with ADHD. In addition, the brain areas associated with hypnosis and ADHD overlap in many respects. However, the use of hypnosis in ADHD patients has still received only minor attention in research. The main purpose of the present work was to investigate whether hypnosis and hypnotic suggestions influence the performance of adult ADHD (n = 27) and control participants (n = 31) in the continuous performance test (CPT). The hypnotic susceptibility of the participants was measured by the Harvard Group Scale of Hypnotic Susceptibility (HGSHS:A) and the attentional task was a three minute long auditory version of the CPT. The CPT task was administered four times: before hypnosis (CPT1), after a hypnotic induction (CPT2), after suggestions about speed and accuracy (CPT3), and after the termination of hypnosis (CPT4). The susceptibility of the groups measured by HGSHS:A did not differ. There was a statistically significant decrease in reaction times in both ADHD and control groups between CPT2 and CPT3. The differences between CPT1 and CPT2, even though non-significant, were different in the two groups: in the ADHD group reaction times decreased whereas in the control group they increased. Both groups made very few errors in the short CPT. This study indicates that hypnotic suggestions have an effect on reaction times in the sustained attention task both in adult ADHD patients and control subjects. The theoretical and clinical implications are discussed.

  8. Meta-analysis of breast cancer microarray studies in conjunction with conserved cis-elements suggest patterns for coordinate regulation

    Lundberg Cathryn


    Full Text Available Abstract Background Gene expression measurements from breast cancer (BrCa tumors are established clinical predictive tools to identify tumor subtypes, identify patients showing poor/good prognosis, and identify patients likely to have disease recurrence. However, diverse breast cancer datasets in conjunction with diagnostic clinical arrays show little overlap in the sets of genes identified. One approach to identify a set of consistently dysregulated candidate genes in these tumors is to employ meta-analysis of multiple independent microarray datasets. This allows one to compare expression data from a diverse collection of breast tumor array datasets generated on either cDNA or oligonucleotide arrays. Results We gathered expression data from 9 published microarray studies examining estrogen receptor positive (ER+ and estrogen receptor negative (ER- BrCa tumor cases from the Oncomine database. We performed a meta-analysis and identified genes that were universally up or down regulated with respect to ER+ versus ER- tumor status. We surveyed both the proximal promoter and 3' untranslated regions (3'UTR of our top-ranking genes in each expression group to test whether common sequence elements may contribute to the observed expression patterns. Utilizing a combination of known transcription factor binding sites (TFBS, evolutionarily conserved mammalian promoter and 3'UTR motifs, and microRNA (miRNA seed sequences, we identified numerous motifs that were disproportionately represented between the two gene classes suggesting a common regulatory network for the observed gene expression patterns. Conclusion Some of the genes we identified distinguish key transcripts previously seen in array studies, while others are newly defined. Many of the genes identified as overexpressed in ER- tumors were previously identified as expression markers for neoplastic transformation in multiple human cancers. Moreover, our motif analysis identified a collection of

  9. MRE: a web tool to suggest foreign enzymes for the biosynthesis pathway design with competing endogenous reactions in mind.

    Kuwahara, Hiroyuki; Alazmi, Meshari; Cui, Xuefeng; Gao, Xin


    To rationally design a productive heterologous biosynthesis system, it is essential to consider the suitability of foreign reactions for the specific endogenous metabolic infrastructure of a host. We developed a novel web server, called MRE, which, for a given pair of starting and desired compounds in a given chassis organism, ranks biosynthesis routes from the perspective of the integration of new reactions into the endogenous metabolic system. For each promising heterologous biosynthesis pathway, MRE suggests actual enzymes for foreign metabolic reactions and generates information on competing endogenous reactions for the consumption of metabolites. These unique, chassis-centered features distinguish MRE from existing pathway design tools and allow synthetic biologists to evaluate the design of their biosynthesis systems from a different angle. By using biosynthesis of a range of high-value natural products as a case study, we show that MRE is an effective tool to guide the design and optimization of heterologous biosynthesis pathways. The URL of MRE is

  10. MRE: a web tool to suggest foreign enzymes for the biosynthesis pathway design with competing endogenous reactions in mind

    Kuwahara, Hiroyuki


    To rationally design a productive heterologous biosynthesis system, it is essential to consider the suitability of foreign reactions for the specific endogenous metabolic infrastructure of a host. We developed a novel web server, called MRE, which, for a given pair of starting and desired compounds in a given chassis organism, ranks biosynthesis routes from the perspective of the integration of new reactions into the endogenous metabolic system. For each promising heterologous biosynthesis pathway, MRE suggests actual enzymes for foreign metabolic reactions and generates information on competing endogenous reactions for the consumption of metabolites. These unique, chassis-centered features distinguish MRE from existing pathway design tools and allow synthetic biologists to evaluate the design of their biosynthesis systems from a different angle. By using biosynthesis of a range of high-value natural products as a case study, we show that MRE is an effective tool to guide the design and optimization of heterologous biosynthesis pathways. The URL of MRE is

  11. A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions

    Zhao, Bin; Sun, Zhigang; Guo, Hua


    A new algorithm is proposed to compute quantum mechanically state-to-state differential cross sections for reactions involving four atoms in full dimensionality. This algorithm, which is based on the propagation of an initial state specific wave packet exclusively in reactant coordinates, extracts the S-matrix elements in the product channel by first interpolating the time-dependent wave packet using a collocation method at selected time intervals on the product coordinate grid and then projecting out the contributions of all final product states. This approach is efficient and accurate, particularly for reactions that are dominated by a product well or long-range interactions. Validation of this approach is demonstrated for the H2 + OH → H + H2O reaction.

  12. Modelling choice and reaction time during arbitrary visuomotor learning through the coordination of adaptive working memory andreinforcement learning

    Guillaume eViejo


    Full Text Available Current learning theory provides a comprehensive description of how we and other animalslearn, and places behavioral flexibility and automaticity at heart of adaptive behaviors. However, the computations supporting the interactions between goal-directed and habitual decision-making systems are still poorly understood. Previous functional magnetic resonance imaging(fMRI results suggest that the brain hosts complementary computations that may differentiallysupport goal-directed and habitual processes in the form of a dynamical interplay rather than aserial recruitment of strategies. To better elucidate the computations underlying flexible behavior, we develop a dual-system computational model which can predict both performance (i.e.,participants’ choices and modulations in reaction times during learning of a stimulus-response association task. The habitual system is modelled with a simple Q-learning algorithm (QL.For the goal-directed system, we propose a new Bayesian Working Memory (BWM modelwhich searches for information in the history of previous trials in order to minimize Shannonentropy. We propose a model for QL and BWM coordination such that the expensive memorymanipulation is under control of, among others, the level of convergence of the habitual learning.We test the ability of QL or BWM alone to explain human behavior, and compare them with theperformance of model combinations, to highlight the need for such combinations to explainbehavior. Two of the tested combination models are derived from the literature, the latter beingour new proposal. In conclusion, all subjects were better explained by model combinations, andthe majority of them by our new coordination proposal.

  13. The impact of hypnotic suggestions on reaction times in continuous performance test in adults with ADHD and healthy controls.

    Maarit Virta

    Full Text Available Attention is one of the key factors in both hypnotic processes and patients with ADHD. In addition, the brain areas associated with hypnosis and ADHD overlap in many respects. However, the use of hypnosis in ADHD patients has still received only minor attention in research. The main purpose of the present work was to investigate whether hypnosis and hypnotic suggestions influence the performance of adult ADHD (n = 27 and control participants (n = 31 in the continuous performance test (CPT. The hypnotic susceptibility of the participants was measured by the Harvard Group Scale of Hypnotic Susceptibility (HGSHS:A and the attentional task was a three minute long auditory version of the CPT. The CPT task was administered four times: before hypnosis (CPT1, after a hypnotic induction (CPT2, after suggestions about speed and accuracy (CPT3, and after the termination of hypnosis (CPT4. The susceptibility of the groups measured by HGSHS:A did not differ. There was a statistically significant decrease in reaction times in both ADHD and control groups between CPT2 and CPT3. The differences between CPT1 and CPT2, even though non-significant, were different in the two groups: in the ADHD group reaction times decreased whereas in the control group they increased. Both groups made very few errors in the short CPT. This study indicates that hypnotic suggestions have an effect on reaction times in the sustained attention task both in adult ADHD patients and control subjects. The theoretical and clinical implications are discussed.

  14. Cation coordination reactions on nanocrystals: surface/interface, doping control and advanced photocatalysis applications (Conference Presentation)

    Zhang, Jiatao


    Abstract: Including the shape and size effect, the controllable doping, hetero-composite and surface/interface are the prerequisite of colloidal nanocrystals for exploring their optoelectronic properties, such as fluorescence, plasmon-exciton coupling, efficient electron/hole separation, and enhanced photocatalysis applications. By controlling soft acid-base coordination reactions between cation molecular complexes and colloidal nanocrystals, we showed that chemical thermodynamics could drive nanoscale monocrystalline growth of the semiconductor shell on metal nano-substrates and the substitutional heterovalent doping in semiconductor nanocrystals. We have demonstrated evolution of relative position of Au and II-VI semiconductor in Au-Semi from symmetric to asymmetric configuration, different phosphines initiated morphology engineering, oriented attachment of quantum dots into micrometer nanosheets with synergistic control of surface/interface and doing, which can further lead to fine tuning of plasmon-exciton coupling. Therefore, different hydrogen photocatalytic performance, Plasmon enhanced photocatalysis properties have been achieved further which lead to the fine tuning of plasmon-exciton coupling. Substitutional heterovalent doping here enables the tailoring of optical, electronic properties and photocatalysis applications of semiconductor nanocrystals because of electronic impurities (p-, n-type doping) control. References: (1) J. Gui, J. Zhang*, et al. Angew. Chem. Int. Ed. 2015, 54, 3683. (2) Q. Zhao, J. Zhang*, etc., Adv. Mater. 2014, 26, 1387. (3) J. Liu, Q. Zhao, S. G. Wang*, J. Zhang*, etc., Adv. Mater. 2015, 27-2753-2761. (4) H. Qian, J. Zhang*, etc., NPG Asia Mater. (2015) 7, e152. (5) M. Ji, M. Xu, etc., J. Zhang*, Adv. Mater. 2016, in proof. (6) S. Yu, J. T. Zhang, Y. Tang, M. Ouyang*, Nano Lett. 2015, 15, 6282-6288. (7) J. Zhang, Y. Tang, K. Lee and M. Ouyang*, Science 2010, 327, 1634. (8) J. Zhang, Y. Tang, K. Lee, M. Ouyang*, Nature 2010, 466

  15. Major Reaction Coordinates Linking Transient Amyloid-β Oligomers to Fibrils Measured at Atomic Level.

    Chandra, Bappaditya; Bhowmik, Debanjan; Maity, Barun Kumar; Mote, Kaustubh R; Dhara, Debabrata; Venkatramani, Ravindra; Maiti, Sudipta; Madhu, Perunthiruthy K


    The structural underpinnings for the higher toxicity of the oligomeric intermediates of amyloidogenic peptides, compared to the mature fibrils, remain unknown at present. The transient nature and heterogeneity of the oligomers make it difficult to follow their structure. Here, using vibrational and solid-state nuclear magnetic resonance spectroscopy, and molecular dynamics simulations, we show that freely aggregating Aβ40 oligomers in physiological solutions have an intramolecular antiparallel configuration that is distinct from the intermolecular parallel β-sheet structure observed in mature fibrils. The intramolecular hydrogen-bonding network flips nearly 90°, and the two β-strands of each monomeric unit move apart, to give rise to the well-known intermolecular in-register parallel β-sheet structure in the mature fibrils. Solid-state nuclear magnetic resonance distance measurements capture the interstrand separation within monomer units during the transition from the oligomer to the fibril form. We further find that the D23-K28 salt-bridge, a major feature of the Aβ40 fibrils and a focal point of mutations linked to early onset Alzheimer's disease, is not detectable in the small oligomers. Molecular dynamics simulations capture the correlation between changes in the D23-K28 distance and the flipping of the monomer secondary structure between antiparallel and parallel β-sheet architectures. Overall, we propose interstrand separation and salt-bridge formation as key reaction coordinates describing the structural transition of the small Aβ40 oligomers to fibrils. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  16. Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffs

    Nitschke, Naomi; Atkovska, Kalina; Hub, Jochen S.


    Molecular dynamics simulations are capable of predicting the permeability of lipid membranes for drug-like solutes, but the calculations have remained prohibitively expensive for high-throughput studies. Here, we analyze simple measures for accelerating potential of mean force (PMF) calculations of membrane permeation, namely, (i) using smaller simulation systems, (ii) simulating multiple solutes per system, and (iii) using shorter cutoffs for the Lennard-Jones interactions. We find that PMFs for membrane permeation are remarkably robust against alterations of such parameters, suggesting that accurate PMF calculations are possible at strongly reduced computational cost. In addition, we evaluated the influence of the definition of the membrane center of mass (COM), used to define the transmembrane reaction coordinate. Membrane-COM definitions based on all lipid atoms lead to artifacts due to undulations and, consequently, to PMFs dependent on membrane size. In contrast, COM definitions based on a cylinder around the solute lead to size-independent PMFs, down to systems of only 16 lipids per monolayer. In summary, compared to popular setups that simulate a single solute in a membrane of 128 lipids with a Lennard-Jones cutoff of 1.2 nm, the measures applied here yield a speedup in sampling by factor of ˜40, without reducing the accuracy of the calculated PMF.

  17. Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates

    García-Meseguer, Rafael; Martí, Sergio; Ruiz-Pernía, J. Javier; Moliner, Vicent; Tuñón, Iñaki


    Conformational changes are known to be able to drive an enzyme through its catalytic cycle, allowing, for example, substrate binding or product release. However, the influence of protein motions on the chemical step is a controversial issue. One proposal is that the simple equilibrium fluctuations incorporated into transition-state theory are insufficient to account for the catalytic effect of enzymes and that protein motions should be treated dynamically. Here, we propose the use of free-energy surfaces, obtained as a function of both a chemical coordinate and an environmental coordinate, as an efficient way to elucidate the role of protein structure and motions during the reaction. We show that the structure of the protein provides an adequate environment for the progress of the reaction, although a certain degree of flexibility is needed to attain the full catalytic effect. However, these motions do not introduce significant dynamical corrections to the rate constant and can be described as equilibrium fluctuations.

  18. Energetics, transition states, and intrinsic reaction coordinates for reactions associated with O(3P) processing of hydrocarbon materials

    Yan, Tianying; Hase, William L.; Doubleday, Charles


    Electronic structure calculations based on multiconfiguration wave functions are used to investigate a set of archetypal reactions relevant to O(3P) processing of hydrocarbon molecules and surfaces. These include O(3P) reactions with methane and ethane to give OH plus methyl or ethyl radicals, O(3P)+ethane to give CH3O+CH3, and secondary reactions of the OH product radical with ethane and the ethyl radical. Geometry optimization is carried out with CASSCF/cc-pVTZ for all reactions, and with CASPT2/cc-pVTZ for O(3P)+methane/ethane. Single-point energy corrections are applied with CASPT2, CASPT3, and MRCI+Q with the cc-pVTZ and cc-pVQZ basis sets, and the energies extrapolated to the complete basis set limit (CBL). Where comparison of computed barriers and energies of reaction with experiment is possible, the agreement is good to excellent. The best agreement (within experimental error) is found for MRCI+Q/CBL applied to O(3P)+methane. For the other reactions, CASPT2/CBL and MRCI+Q/CBL predictions differ from experiment by 1-5 kcal/mol for 0 K enthalpies of reaction, and are within 1 kcal/mol of the best-estimate experimental range of 0 K barriers for O(3P)+ethane and OH+ethane. The accuracy of MRCI+Q/CBL is limited mainly by the quality of the active space. CASPT2/CBL barriers are consistently lower than MRCI+Q/CBL barriers with identical reference spaces.

  19. Evidence of click and coordination reactions on a self-assembled monolayer by synchrotron radiation based XPS and NEXAFS

    Darlatt, Erik [BAM - Bundesanstalt fuer Materialforschung und -pruefung, 12200 Berlin (Germany); Traulsen, Christoph H.-H.; Poppenberg, Johannes; Richter, Sebastian [Institut fuer Chemie und Biochemie, Freie Universitaet Berlin, Takustrasse 3, 14195 Berlin (Germany); Kuehn, Julius [BAM - Bundesanstalt fuer Materialforschung und -pruefung, 12200 Berlin (Germany); Schalley, Christoph A., E-mail: [Institut fuer Chemie und Biochemie, Freie Universitaet Berlin, Takustrasse 3, 14195 Berlin (Germany); Unger, Wolfgang E.S., E-mail: [BAM - Bundesanstalt fuer Materialforschung und -pruefung, 12200 Berlin (Germany)


    Highlights: Black-Right-Pointing-Pointer Ethynyl terpyridines were clicked to azide-terminated SAMs on gold. Black-Right-Pointing-Pointer Azides and clicked terpyridines were characterized by N and C K-NEXAFS and N 1s XPS. Black-Right-Pointing-Pointer S 1s + S 2p XPS was used to characterize the buried gold-sulfur interface of the SAM. Black-Right-Pointing-Pointer Higher click reaction temperature leads to an increased amount of terpyridyl groups. Black-Right-Pointing-Pointer Introduced terpyridyl groups are accessible for Pd(II) ion coordination. - Abstract: An ethynylterpyridine was 'clicked' to an azide-terminated self-assembled monolayer on gold and characterized by synchrotron radiation based surface analysis as NEXAFS and XPS. The detection of azide and terpyridine signatures confirmed a partial click reaction at room temperature. The absence of the azides after reaction at 50 Degree-Sign C indicates an almost complete conversion. For the latter case successful Pd(II) coordination has been proven. The Au-S interface of the SAMs has been characterized by S 1s and S 2p XPS.

  20. IAEA coordinated research project on nuclear data for charged-particle monitor reactions and medical isotope production

    Capote, Roberto; Nichols, Alan L.; Nortier, Francois Meiring; Carlson, Brett V.; Engle, Jonathan W.; Hermanne, Alex; Hussain, Mazhar; Ignatyuk, Anatoly V.; Kellett, Mark A.; Kibédi, Tibor; Kim, Guinyun; Kondev, Filip G.; Lebeda, Ondrej; Luca, Aurelian; Naik, Haladhara; Nagai, Yasuki; Spahn, Ingo; Suryanarayana, Saraswatula V.; Tárkányi, Ferenc T.; Verpelli, Marco


    An IAEA coordinated research project was launched in December 2012 to establish and improve the nuclear data required to characterise charged-particle monitor reactions and extend data for medical radionuclide production. An international team was assembled to undertake work addressing the requirements for more accurate cross-section data over a wide range of targets and projectiles, undertaken in conjunction with a limited number of measurements and more extensive evaluations of the decay data of specific radionuclides. These studies are nearing completion, and are briefly described below.

  1. Homochiral coordination polymers constructed from aminocarboxylate derivates: Effect of bipyridine on the amidation reaction

    Chen Jianshan; Sheng Tianlu; Hu Shengmin; Xiang Shengchang; Fu Ruibiao; Zhu Qilong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Wu Xintao, E-mail: [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)


    Using aminocarboxylate derivates (S)-N-(4-cyanobenzoic)-glutamic acid (denoted as cbg, 1a) and (S)-N-(4-nitrobenzoic)-glutamic acid (denoted as nbg, 1b) as chiral ligands, five new homochiral coordination polymers formulated as [Cu(cbg)(H{sub 2}O){sub 2}]{sub n} (3), [Cu(cbop){sub 2}(4,4 Prime -bipy)(H{sub 2}O)]{sub n} (4) (cbop=(S)-N-(4-cyanobenzoic)-5-oxoproline, 4,4 Prime -bipy=4,4 Prime -bipyridine), {l_brace}[Cu(nbop){sub 2}(4,4 Prime -bipy)]{center_dot}4H{sub 2}O{r_brace}{sub n} (5) (nbop=(S)-N-(4-nitrobenzoic)-5-oxoproline), {l_brace}[Cd(nbop){sub 2}(4,4 Prime -bipy)]{center_dot}2H{sub 2}O{r_brace}{sub n} (6), and [Ni(nbop){sub 2}(4,4 Prime -bipy)(H{sub 2}O){sub 2}]{sub n} (7) have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction study reveals that the original chirality of aminocarboxylate derivates is maintained in all these complexes. Complexes 3, 4, and 7 are one-dimensional infinite chain coordination polymers, while complexes 5 and 6 possess two-dimensional network structures. In situ cyclization of 1a and 1b was taken place in the formation of complexes 4-7, which may be due to the competition of 4,4 Prime -bipyridine with chiral ligands during the coordination process. Preliminary optical behavior investigation indicates that ligands 1a, 1b, and complexes 6, 7 are nonlinear optical active. - Graphical abstract: Using aminocarboxylate derivates as chiral ligands, five new homochiral coordination polymers possessing second harmonic generation activities have been hydrothermally synthesized. Highlights: Black-Right-Pointing-Pointer Two new chiral aminocarboxylate derivates were firstly synthesized. Black-Right-Pointing-Pointer Five new homochiral metal organic complexes were obtained hydrothermally based on these ligands. Black-Right-Pointing-Pointer Intramolecular amidation was taken place on the aminocarboxylate derivates during the formation of these complexes. Black-Right-Pointing-Pointer In situ

  2. Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow protein

    Vreede, J.; Juraszek, J.; Bolhuis, P.G.


    Understanding the dynamics of large-scale conformational changes in proteins still poses a challenge for molecular simulations. We employ transition path sampling of explicit solvent molecular dynamics trajectories to obtain atomistic insight in the reaction network of the millisecond timescale part

  3. Preparing for severe contrast media reactions in children - results of a national survey, a literature review and a suggested protocol

    Lindsay, R., E-mail: [Imaging Centre, Royal Victoria Hospital, Belfast, Northern Ireland (United Kingdom); Paterson, A. [Radiology Department, The Royal Belfast Hospital for Sick Children, Belfast, Northern Ireland (United Kingdom); Edgar, D. [Immunology Department, Royal Victoria Hospital, Belfast, Northern Ireland (United Kingdom)


    Aim: To identify current practices within paediatric radiology in the UK with regard to the use of prophylactic medication, prior to administering intravenous (IV) radiocontrast medium (RCM). In addition, the pre-injection risk management strategies of the departments questioned was to be evaluated, and using consensus opinion, a protocol for managing patients identified as being at high risk for an adverse reaction to RCM was to be outlined. Materials and methods: An online survey of paediatric radiology consultants representing all geographic regions of the UK was carried out. The questions asked included an assessment of the risk factors for adverse reactions to RCM, and how such reactions are anticipated and managed. The questionnaire asked about the perceived indications for, and the use of prophylactic medication prior to RCM administration. Results: A response rate of 51% was achieved. The majority of respondents felt that a history of previous RCM reaction was an indication to administer prophylactic drugs prior to a further dose of RCM. No other risk factor was believed to require prophylactic medication. Conclusion: Using information obtained from the survey, a literature search was performed to assess the evidence available in support of each practice. A protocol was devised to identify children at risk of an adverse reaction to RCM, and guide the use of prophylactic medication in this group of patients. The survey highlighted considerable variability in the risk-assessment and management practices within paediatric radiology in the UK. The derived protocol may guide radiologists' management of children at risk for an RCM reaction.

  4. Histopathology and immune histochemistry of red tattoo reactions. Interface dermatitis is the lead pathology, with increase in T-lymphocytes and Langerhans cells suggesting an allergic pathomechanism

    Høgsberg, T; Thomsen, B M; Serup, J


    BACKGROUND: The majority of tattoo reactions are affiliated to red pigmented areas and often suspected to be allergic in nature. A sizeable series of biopsies of such reactions has not previously been performed. The aim of this study was to type and grade epidermal and dermal changes in tattoo...... reactions to red/red nuances by microscopy and immunochemistry relevant for the assessment of a possible allergic pathomechanism. METHODS: Skin biopsies were taken from red tattoo reactions, graded by conventional microscopy and stained for T and B-lymphocytes, Langerhans cells, macrophages and tumour......-α was common. CONCLUSION: The predominant histological pattern of chronic tattoo reactions in red/red nuances is interface dermatitis. T-lymphocytes and Langerhans cells are increased suggesting an allergic pathomechanism. TNF-α may contribute to reactions. In many cases, overlapping reactive patterns were...

  5. New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals

    Weymuth, Thomas; Chen, Peter; Reiher, Markus


    We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals. We analyze nine popular functionals, namely BP86, BP86-D3, B3LYP, B3LYP-D3, B97-D-D2, PBE, TPSS, PBE0, and TPSSh by mutual comparison and by comparison to experimental gas-phase data measured with well-known precision. The comparison of all calculated data reveals a large, system-dependent scattering of results with nonnegligible consequences for computational chemistry studies on transition metal compounds. Considering further the comparison with experiment, the non-empirical functionals PBE and TPSS turn out to be among the best functionals for our reference data set. The deviation can be lowered further by including Hartree--Fock exchange. Accordingly, PBE0 and TPSSh are the two most accurate functionals for our test set, but also these functionals exhibit deviations from experiment by up to 50 kJ/mol for individual reactions. A...

  6. Reactions of nitrogen oxides with the five-coordinate Fe(III)(porphyrin) nitrito intermediate Fe(Por)(ONO) in sublimed solids.

    Kurtikyan, Tigran S; Hovhannisyan, Astghik A; Hakobyan, Manya E; Patterson, James C; Iretskii, Alexei; Ford, Peter C


    Detailed experimental studies are described for reactions of several nitrogen oxides with iron porphyrin models for heme/NxOy systems. It is shown by FTIR and optical spectroscopy and by isotope labeling experiments that reaction of small increments of NO2 with sublimed thin layers of the iron(II) complex Fe(Por) (Por = meso-tetraphenylporphyrinato dianion, TPP, or meso-tetra-p-tolylporphyrinato dianion, TTP) leads to formation of the 5-coordinate nitrito complexes Fe(Por)(eta1-ONO) (1), which are fairly stable but very slowly decompose under vacuum giving mostly the corresponding nitrosyl complexes Fe(Por)(NO). Further reaction of 1 with new NO2 increments leads to formation of the nitrato complex Fe(Por)(eta2-O2NO) (2). The interaction of NO with 1 at low temperature involves ligand addition to give the nitrito-nitrosyl complexes Fe(Por)(eta1-ONO)(NO) (3); however, these isomerize to the nitro-nitrosyl analogs Fe(Por)(eta1-NO2)(NO) (4) upon warming. Experiments with labeled nitrogen oxides argue for an intramolecular isomerization ("flipping") mechanism rather than one involving dissociation and rebinding of NO2. The Fe(III) centers in the 6-coordinate species 3 and 4 are low spin in contrast to 1, which appears to be high-spin, although DFT computations of the porphinato models Fe(P)(nitrite) suggest that the doublet nitro species and the quartet and sextet nitrito complexes are all relatively close in energy. The nitro-nitrosyl complex 4 is stable under an NO atmosphere but decomposes under intense pumping to give a mixture of the ferrous nitrosyl complex Fe(Por)(NO) and the ferric nitrito complex Fe(Por)(eta1-ONO) indicating the competitive dissociation of NO and NO2. Hence, loss of NO from 4 is accompanied with nitro --> nitrito isomerization consistent with 1 being the more stable of the 5-coordinate NO2 complexes of iron porphyrins.

  7. Formation of diphenylphosphanylbutadienyl complexes by insertion of two P-coordinated alkynylphosphanes into a PtbondC6F5 bond: detection of intermediate and reaction products.

    Ara, Irene; Forniés, Juan; García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M Teresa


    The reactions between cis-[M(C(6)F(5))(2)(PPh(2)CtriplebondCR)(2)] (M=Pt, Pd; R=Ph, tBu, Tol 2, 3) or cis-[Pt(C(6)F(5))(2)(PPh(2)CtriplebondCR)(PPh(2)CtriplebondCtBu)] (R=Ph 4, Tol 5) and cis-[Pt(C(6)F(5))(2)(thf)(2)] 1 have been investigated. Whereas [M](PPh(2)CtriplebondCtBu)(2) ([M]=cis-M(C(6)F(5))(2)) is inert towards 1, the analogous reactions starting from [M](PPh(2)CtriplebondCR)(2) or [Pt](PPh(2)CtriplebondCR)(PPh(2)CtriplebondCtBu) (R=Ph, Tol) afford unusual binuclear species [Pt(C(6)F(5))(S)mu-[C(R')dbondC(PPh(2))C(PPh(2))doublebondC(R)(C(6)F(5))]M(C(6)F(5))(2)] (R=R'=Ph, Tol, M=Pt 6 a,c, M=Pd 7 a,c; M=Pt, R'=tBu, R=Ph 8, Tol 9) containing a bis(diphenylphosphanyl)butadienyl bridging ligand formed by an unprecedented sequential insertion reaction of two P-coordinated PPh(2)CtriplebondCR ligands into a PtbondC(6)F(5) bond. Although in solution the presence of coordinated solvent S (S=(thf)(x)(H(2)O)(y)) in 6, 7 is suggested by NMR spectroscopy, X-ray diffraction analyses of different crystals of the mixed complex [Pt(C(6)F(5))mu-[C(tBu)doublebondC(PPh(2))C(PPh(2))doublebondC(Tol)(C(6)F(5))]Pt(C(6)F(5))(2)] 9 unequivocally establish that in the solid state the steric crowding of the new diphenylbutadienyl ligand formed stabilizes an unusual coordinatively unsaturated T-shaped 3-coordinated platinum(II) center. Structure determinations of the mononuclear precursors cis-[Pt(C(6)F(5))(2)(PPh(2)CtriplebondCR)(2)] (R=Ph, tBu, Tol) have been carried out to evaluate the factors affecting the insertion processes. The reactions of the platinum complexes 6 towards neutral ligands (L=CO, py, PPh(2)H, CNtBu) in a 1:1 molar ratio afford related diplatinum derivatives 10-13, whereas treatment with CNtBu (1:2 molar ratio) or 2,2'-bipy (1:1 molar ratio) results in the opening of the chelating ring to give cis,cis-[Pt(C(6)F(5))(L)(2)mu-[1-kappaC(1):2-kappaPP'-C(R)doublebondC(PPh(2))C(PPh(2))doublebondC(R)(C(6)F(5))]Pt(C(6)F(5))(2)] (14, 15). The unsaturated or solvento

  8. Suggested safeguards an

    MJM Venter

    ... COORDINATION. (FACILITATION OR CASE MANAGEMENT) IN SOUTH AFRICA ... SUGGESTED SAFEGUARDS AND LIMITATIONS FOR EFFECTIVE AND .... professional practice.27 They have to assess the situation; educate the parents.

  9. Rupturing the hemi-fission intermediate in membrane fission under tension: Reaction coordinates, kinetic pathways, and free-energy barriers.

    Zhang, Guojie; Müller, Marcus


    Membrane fission is a fundamental process in cells, involved inter alia in endocytosis, intracellular trafficking, and virus infection. Its underlying molecular mechanism, however, is only incompletely understood. Recently, experiments and computer simulation studies have revealed that dynamin-mediated membrane fission is a two-step process that proceeds via a metastable hemi-fission intermediate (or wormlike micelle) formed by dynamin's constriction. Importantly, this hemi-fission intermediate is remarkably metastable, i.e., its subsequent rupture that completes the fission process does not occur spontaneously but requires additional, external effects, e.g., dynamin's (unknown) conformational changes or membrane tension. Using simulations of a coarse-grained, implicit-solvent model of lipid membranes, we investigate the molecular mechanism of rupturing the hemi-fission intermediate, such as its pathway, the concomitant transition states, and barriers, as well as the role of membrane tension. The membrane tension is controlled by the chemical potential of the lipids, and the free-energy landscape as a function of two reaction coordinates is obtained by grand canonical Wang-Landau sampling. Our results show that, in the course of rupturing, the hemi-fission intermediate undergoes a "thinning → local pinching → rupture/fission" pathway, with a bottle-neck-shaped cylindrical micelle as a transition state. Although an increase of membrane tension facilitates the fission process by reducing the corresponding free-energy barrier, for biologically relevant tensions, the free-energy barriers still significantly exceed the thermal energy scale kBT.

  10. Nonequilibrium thermodynamics in the strong coupling and non-Markovian regime based on a reaction coordinate mapping

    Strasberg, Philipp; Schaller, Gernot; Lambert, Neill; Brandes, Tobias


    We propose a method to study the thermodynamic behaviour of small systems beyond the weak coupling and Markovian approximation, which is different in spirit from conventional approaches. The idea is to redefine the system and environment such that the effective, redefined system is again coupled weakly to Markovian residual baths and thus, allows to derive a consistent thermodynamic framework for this new system-environment partition. To achieve this goal we make use of the reaction coordinate (RC) mapping, which is a general method in the sense that it can be applied to an arbitrary (quantum or classical and even time-dependent) system coupled linearly to an arbitrary number of harmonic oscillator reservoirs. The core of the method relies on an appropriate identification of a part of the environment (the RC), which is subsequently included as a part of the system. We demonstrate the power of this concept by showing that non-Markovian effects can significantly enhance the steady state efficiency of a three-level-maser heat engine, even in the regime of weak system-bath coupling. Furthermore, we show for a single electron transistor coupled to vibrations that our method allows one to justify master equations derived in a polaron transformed reference frame.

  11. Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopy.

    Borgia, Alessandro; Wensley, Beth G; Soranno, Andrea; Nettels, Daniel; Borgia, Madeleine B; Hoffmann, Armin; Pfeil, Shawn H; Lipman, Everett A; Clarke, Jane; Schuler, Benjamin


    Theory, simulations and experimental results have suggested an important role of internal friction in the kinetics of protein folding. Recent experiments on spectrin domains provided the first evidence for a pronounced contribution of internal friction in proteins that fold on the millisecond timescale. However, it has remained unclear how this contribution is distributed along the reaction and what influence it has on the folding dynamics. Here we use a combination of single-molecule Förster resonance energy transfer, nanosecond fluorescence correlation spectroscopy, microfluidic mixing and denaturant- and viscosity-dependent protein-folding kinetics to probe internal friction in the unfolded state and at the early and late transition states of slow- and fast-folding spectrin domains. We find that the internal friction affecting the folding rates of spectrin domains is highly localized to the early transition state, suggesting an important role of rather specific interactions in the rate-limiting conformational changes.

  12. Preparation and Reactions of the 1,1-Dithiolato Complexes of Ni(II). An Undergraduate Coordination Chemistry Experiment.

    Ballester, L.; Perpinan, M. F.


    Described is an undergraduate coordination chemistry experiment that enables students to relate concepts developed in class about the stereochemistry and coordination numbers to the interpretation of the electronic and infrared spectra and their magnetic behavior. Indicates that thermal decomposition and x-ray diffraction studies can also be…

  13. Temporal coordination between ground reaction forces generated by leading and trailing limbs for propulsion during double stance phase in human walking.

    Sato, Yoichiro; Yamada, Norimasa


    Although it was reported that ground reaction forces (GRFs) are generated simultaneously by the leading and trailing limbs during the double stance phase, the finding was not examined by temporal analyses. Therefore, the purpose of the present study is to clarify how GRFs can act to propel the body in a forward direction during the double stance phase. GRFs were recorded during the double stance phase in eleven healthy volunteers. We calculated the instantaneous phase of the GRFs for vertical and anterior-posterior (AP) components, and then calculated the relative phase between the leading and trailing limbs for each component. The relative phase of the vertical component was approximately 180° (i.e., anti-phase), indicating that the lower limb transfers weight smoothly from the trailing limb to the leading limb. The relative phase of the AP component ranged from 40 to 55°, indicating that the AP component of the forces do not occur simultaneously, but instead has a lag. This finding suggests that the forces exerted by the leading and trailing limbs would temporally coordinate to propel the body in the forward direction. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Room-Temperature Energy-Sampling Kβ X-ray Emission Spectroscopy of the Mn4Ca Complex of Photosynthesis Reveals Three Manganese-Centered Oxidation Steps and Suggests a Coordination Change Prior to O2 Formation.

    Zaharieva, Ivelina; Chernev, Petko; Berggren, Gustav; Anderlund, Magnus; Styring, Stenbjörn; Dau, Holger; Haumann, Michael


    In oxygenic photosynthesis, water is oxidized and dioxygen is produced at a Mn4Ca complex bound to the proteins of photosystem II (PSII). Valence and coordination changes in its catalytic S-state cycle are of great interest. In room-temperature (in situ) experiments, time-resolved energy-sampling X-ray emission spectroscopy of the Mn Kβ1,3 line after laser-flash excitation of PSII membrane particles was applied to characterize the redox transitions in the S-state cycle. The Kβ1,3 line energies suggest a high-valence configuration of the Mn4Ca complex with Mn(III)3Mn(IV) in S0, Mn(III)2Mn(IV)2 in S1, Mn(III)Mn(IV)3 in S2, and Mn(IV)4 in S3 and, thus, manganese oxidation in each of the three accessible oxidizing transitions of the water-oxidizing complex. There are no indications of formation of a ligand radical, thus rendering partial water oxidation before reaching the S4 state unlikely. The difference spectra of both manganese Kβ1,3 emission and K-edge X-ray absorption display different shapes for Mn(III) oxidation in the S2 → S3 transition when compared to Mn(III) oxidation in the S1 → S2 transition. Comparison to spectra of manganese compounds with known structures and oxidation states and varying metal coordination environments suggests a change in the manganese ligand environment in the S2 → S3 transition, which could be oxidation of five-coordinated Mn(III) to six-coordinated Mn(IV). Conceivable options for the rearrangement of (substrate) water species and metal-ligand bonding patterns at the Mn4Ca complex in the S2 → S3 transition are discussed.

  15. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

    Zhao, Bin; Sun, Zhigang; Guo, Hua


    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

  16. Computational Analysis of AMPK-Mediated Neuroprotection Suggests Acute Excitotoxic Bioenergetics and Glucose Dynamics Are Regulated by a Minimal Set of Critical Reactions.

    Niamh M C Connolly

    Full Text Available Loss of ionic homeostasis during excitotoxic stress depletes ATP levels and activates the AMP-activated protein kinase (AMPK, re-establishing energy production by increased expression of glucose transporters on the plasma membrane. Here, we develop a computational model to test whether this AMPK-mediated glucose import can rapidly restore ATP levels following a transient excitotoxic insult. We demonstrate that a highly compact model, comprising a minimal set of critical reactions, can closely resemble the rapid dynamics and cell-to-cell heterogeneity of ATP levels and AMPK activity, as confirmed by single-cell fluorescence microscopy in rat primary cerebellar neurons exposed to glutamate excitotoxicity. The model further correctly predicted an excitotoxicity-induced elevation of intracellular glucose, and well resembled the delayed recovery and cell-to-cell heterogeneity of experimentally measured glucose dynamics. The model also predicted necrotic bioenergetic collapse and altered calcium dynamics following more severe excitotoxic insults. In conclusion, our data suggest that a minimal set of critical reactions may determine the acute bioenergetic response to transient excitotoxicity and that an AMPK-mediated increase in intracellular glucose may be sufficient to rapidly recover ATP levels following an excitotoxic insult.

  17. Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions

    Zheng, Yao


    Organometallic complexes with metal-nitrogen/carbon (M-N/C) coordination are the most important alternatives to precious metal catalysts for oxygen reduction and evolution reactions (ORR and OER) in energy conversion devices. Here, we designed and developed a range of molecule-level graphitic carbon nitride (g-C3N4) coordinated transition metals (M-C3N4) as a new generation of M-N/C catalysts for these oxygen electrode reactions. As a proof-of-concept example, we conducted theoretical evaluation and experimental validation on a cobalt-C3N4 catalyst with a desired molecular configuration, which possesses comparable electrocatalytic activity to that of precious metal benchmarks for the ORR and OER in alkaline media. The correlation of experimental and computational results confirms that this high activity originates from the precise M-N2 coordination in the g-C3N4 matrix. Moreover, the reversible ORR/OER activity trend for a wide variety of M-C3N4 complexes has been constructed to provide guidance for the molecular design of this promising class of catalysts.

  18. Guiyang modern logistics industry and regional economic coordinated development of the Current Situation and Suggestions%贵阳市现代物流业与区域经济协调发展现状及对策建议



    根据现代物流业与区域经济协调发展的重要性和内在机理,对贵阳市现代物流业与区域经济发展现状进行调研,针对存在的问题,提出了相关对策建议。%According to the importance of the modem logistics industry and the coordinated development of regional economy and the internal mechanism of Guiyang City, the modem logistics industry and regional economic development research, development and put forward relevant suggestions for possible problems.

  19. Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(II) in pyridine N-oxide copper(II) complexes.

    Beyeh, Ngong Kodiah; Puttreddy, Rakesh


    Pyridine and 2-picolinic acid N-oxides form 2 : 2 and 2 : 1 ligand : metal (L : M) discrete L2M2 and polymeric complexes with CuCl2 and Cu(NO3)2, respectively, with copper(ii) salts. The N-oxides also form 1 : 1 host-guest complexes with methylresorcinarene. In combination, the three components form a unique 2 : 2 : 1 host-ligand-metal complex. The methylresorcinarene acts as a reaction vessel/protecting group to control the coordination of copper(ii) from cis-see-saw to trans-square planar, and from octahedral to square planar coordination geometry. These processes were studied in solution and in the solid state via(1)H NMR spectroscopy and single crystal X-ray diffraction.

  20. Investigation of coordination of Mg(II) cations to 2-pyrimidinyloxy-N-arylbenzylamines by electrospray mass spectrometry: insights for Mg(II) catalyzed Smiles rearrangement reactions.

    Wang, Haoyang; Xu, Chu; Zhang, Li; Tang, Qinghong; Guo, Yinlong; Lu, Long


    The CH(3)OH solutions of pyrimidinyloxy-N-arylbenzylamines (1-5) in the presence of Mg(II)X(2) salts (X = Cl or ClO(4)) were investigated by electrospray ionization mass spectrometry and tandem mass spectrometry (MS/MS) subsequently, showing that the cationic Mg(II) complexes 1-5·MgX(+) were important active complexes or intermediates for initiating interesting Smiles rearrangement reactions in both the gas and solution phases. By using different MgX(2) salts and selecting a set of reactants with different substitutes, the role of the counter-ion (X(-)) and the structure effect of the reactants on the Mg(II) catalyzed Smiles rearrangement reactions were studied. Moreover, the solvent effect on Mg(II) catalyzed Smiles rearrangement reactions was revealed by studying the CH(3)OH adduct complexes of 1-5·MgCl(+), which showed that the coordination of CH(3)OH to the Mg(II) center in the complexes decreased the reaction tendency. The mechanisms involved in the gas-phase Mg(II) catalyzed Smiles rearrangement reactions were proposed on the basis of MS/MS experiments and theoretical computations, showing some unique chemistries initiated by introducing Mg(II) into the template molecules.

  1. Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination

    Bisson, Claudine; Britton, K. Linda; Sedelnikova, Svetlana E.; Rodgers, H. Fiona; Eadsforth, Thomas C.; Viner, Russell C.; Hawkes, Tim R.; Baker, Patrick J.; Rice, David W.


    Summary Imidazoleglycerol-phosphate dehydratase (IGPD) catalyzes the Mn(II)-dependent dehydration of imidazoleglycerol phosphate (IGP) to 3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate during biosynthesis of histidine. As part of a program of herbicide design, we have determined a series of high-resolution crystal structures of an inactive mutant of IGPD2 from Arabidopsis thaliana in complex with IGP. The structures represent snapshots of the enzyme trapped at different stages of the catalytic cycle and show how substrate binding triggers a switch in the coordination state of an active site Mn(II) between six- and five-coordinate species. This switch is critical to prime the active site for catalysis, by facilitating the formation of a high-energy imidazolate intermediate. This work not only provides evidence for the molecular processes that dominate catalysis in IGPD, but also describes how the manipulation of metal coordination can be linked to discrete steps in catalysis, demonstrating one way that metalloenzymes exploit the unique properties of metal ions to diversify their chemistry. PMID:26095028

  2. Coordination Chemistry of [Co(acac)2 ] with N-Doped Graphene: Implications for Oxygen Reduction Reaction Reactivity of Organometallic Co-O4 -N Species.

    Han, Jongwoo; Sa, Young Jin; Shim, Yeonjun; Choi, Min; Park, Noejung; Joo, Sang Hoon; Park, Sungjin


    Hybridization of organometallic complexes with graphene-based materials can give rise to enhanced catalytic performance. Understanding the chemical structures within hybrid materials is of primary importance. In this work, archetypical hybrid materials are synthesized by the reaction of an organometallic complex, [Co(II) (acac)2 ] (acac=acetylacetonate), with N-doped graphene-based materials at room temperature. Experimental characterization of the hybrid materials and theoretical calculations reveal that the organometallic cobalt-containing species is coordinated to heterocyclic groups in N-doped graphene as well as to its parental acac ligands. The hybrid material shows high electrocatalytic activity for the oxygen reduction reaction (ORR) in alkaline media, and superior durability and methanol tolerance to a Pt/C catalyst. Based on the chemical structures and ORR experiments, the catalytically active species is identified as a Co-O4 -N structure.

  3. Light-induced copper(II) coordination by a bicyclic tetraaza chelator through a ligand-to-metal charge-transfer reaction.

    Holm-Jørgensen, Jacob R; Jensen, Mikael; Bjerrum, Morten J


    To enable utilization of the broad potential of copper isotopes in nuclear medicine, rapid and robust chelation of the copper is required. Bowl adamanzanes (bicyclic tetraaza ligands) can form kinetically stable copper complexes, but they are usually formed at low rates unless high pH values and high temperatures are applied. We have investigated the effects of the variation in the pH, different anions, and UV irradiation on the chelation rate. UV spectra of mixtures of Cu(2+) and [2(4).3(1)]adz in water show the existence of a long-lived two-coordinated copper(II) intermediate (only counting coordinated amine groups) at pH above 6. These findings are supported by pH titrations of mixtures of Cu(2+) and [2(4).3(1)]adz in water. Irradiation of this complex in the ligand-to-metal charge-transfer (LMCT) band by a diode-array spectrophotometer leads to photodeprotonation and subsequently to formation of the four-coordinated copper(II) complex at a rate up to 7800-fold higher at 25 °C than in the dark. Anions in the solution were found to have three major effects: competitive inhibition due to Cu(II) binding anions, inhibition of the photoinduced transchelation from UV-absorbing anions, and photoredox inhibition from acido ligands capable of acting as electron donors in LMCT reactions. Dissolved O(2) was also found to result in photoredox inhibition.

  4. Investigation and Suggestions on Developmenting Situation of Epidemic Prevention Coordinator in Villages from Weibin District%渭滨区村级防疫员发展状况的调查与建议

    李超; 牛建宁


    作者走访全区三个镇67个村,67位村级防疫员,并从年龄结构、文化程度、工作年限、工作内容几方面进行调查统计分析,结果显示,目前尚存一些亟待解决的问题。建议今后①提高防疫员的待遇;②加强现有防疫员的业务、政治培训。%The author had surveyed 67 epidemic prevention coordinators who worked at 67 villages be-longing to three town in Weibin district,and analyzed the age structure,education level,work experience and working content.The analysis result displayed there were still some problems which should be solved at present.Two suggestions were given:the first one was lift the salary of epidemic prevention coordinator working at village;the another one was to strengthen training involving in special techniques and political recognition.

  5. Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path.

    Daschakraborty, Snehasis; Kiefer, Philip M; Miller, Yifat; Motro, Yair; Pines, Dina; Pines, Ehud; Hynes, James T


    The protonation of methylamine base CH3NH2 by carbonic acid H2CO3 within a hydrogen (H)-bonded complex in aqueous solution was studied via Car-Parrinello dynamics in the preceding paper (Daschakraborty, S.; Kiefer, P. M.; Miller, Y.; Motro, Y.; Pines, D.; Pines, E.; Hynes, J. T. J. Phys. Chem. B 2016, DOI: 10.1021/acs.jpcb.5b12742). Here some important further details of the reaction path are presented, with specific emphasis on the water solvent's role. The overall reaction is barrierless and very rapid, on an ∼100 fs time scale, with the proton transfer (PT) event itself being very sudden (water solvent changes little until the actual PT occurrence; this results from the very strong driving force for the reaction, as indicated by the very favorable acid-protonated base ΔpKa difference. Further solvent rearrangement follows immediately the sudden PT's production of an incipient contact ion pair, stabilizing it by establishment of equilibrium solvation. The solvent water's short time scale ∼120 fs response to the incipient ion pair formation is primarily associated with librational modes and H-bond compression of water molecules around the carboxylate anion and the protonated base. This is consistent with this stabilization involving significant increase in H-bonding of hydration shell waters to the negatively charged carboxylate group oxygens' (especially the former H2CO3 donor oxygen) and the nitrogen of the positively charged protonated base's NH3(+).

  6. Influence of chlorine coordination number on the catalytic mechanism of ruthenium chloride catalysts in the acetylene hydrochlorination reaction: a DFT study.

    Han, You; Sun, Mengxia; Li, Wei; Zhang, Jinli


    The catalytic mechanism of Ru-based catalysts in the acetylene hydrochlorination reaction has been investigated via the density functional theory (DFT) method. To study the effect of the chlorine coordination number on the catalytic mechanism, Ru3Cl9, Ru3Cl7, Ru5Cl7, Ru3Cl3 and Ru3 clusters were chosen as the catalytic models. Our results show that the energy barrier for acetylene hydrochlorination on Ru3Cl9 was as high as 1.51 eV at 458 K. When the chlorine coordination number decreased, the energy barriers on Ru3Cl7, Ru5Cl7, Ru3Cl3 and Ru3 were 1.29, 0.89, 1.01 and 1.42 eV, respectively. On Ru3Cl9, the H and Cl atoms of HCl were simultaneously added to C2H2 to form C2H3Cl, while the reaction was divided into two steps on Ru3Cl7, Ru3Cl3 and Ru3 clusters. The first step was the addition of H atom of HCl to C2H2 to form C2H3˙, and the second step was the addition of Cl atom to C2H3˙ to form C2H3Cl. The step involving the addition of Cl was the rate-controlling step during the whole reaction. On Ru5Cl7 cluster, there was an additional step before the steps involving the addition of H and Cl: the transfer of H atom from HCl to Ru atom. This step was the rate-controlling step during the reaction of acetylene hydrochlorination on Ru5Cl7 and its energy barrier was the lowest among all the above-mentioned catalytic models. Therefore, the Ru5Cl7 cluster played the most predominant role in acetylene hydrochlorination with the largest reaction rate constant kTST of 10(3).

  7. Coordination polymer derived cobalt embedded in nitrogen-doped carbon nanotubes for efficient electrocatalysis of oxygen evolution reaction

    Cong, Jingkun; Li, Changqing; Zhao, Tao; Wu, Jin; Zhang, Rui; Ren, Wenjing; Wang, Shunli; Gao, Junkuo; Liu, Yi; Yao, Juming


    In this paper, we reported the fabrication of Co-embedded nitrogen-doped carbon nanotube (Co-NCNT) by using Co-melamine coordination polymer (CP) as precursor. The sample was well characterized via SEM, TEM, XRD, XPS and BET methods. The Co-NCNT shows excellent and stable catalytic performance for OER. The overpotential of Co-NCNT at 10 mA cm-2 is 370 mV (vs RHE). The current density of Co-NCNT could reach 100 mA cm-2 at overpotential of 520 mV, which showed much better performance than RuO2, while the largest current density of RuO2 could reach is only 44 mA cm-2. The Tafel slope of Co-NCNT is 56 mV dec-1, which is smaller than that of commercial RuO2 (58 mV dec-1). The results indicate that metal-melamine based CPs or MOFs can be promising precursors for the preparation of efficient metal-embedded nitrogen-doped carbon materials for electrocatalysis.

  8. L-亮氨酸与醋酸铜固相配位反应的热化学研究%Study on Thermochemistry of Solid State Coordination Reaction of L-Leucine with Copper Acetate

    周传佩; 陈文生; 刘义; 屈松生


    The reaction enthalpy of solid-solid coordination reaction of L-Leucine with copper acetate is determined by solution calorimetry in an isoperibel reaction calorimeter. The calorimetric solvent is the solution of hydrochloric acid(4 mol/L), a new thermochemical cycle is designed. The values of △fHθm=1S. 64 kJ/mol, △fHθm(trans-Cu(L-Leu)2,s)=-1194. 7 kJ/mol are evalcated.

  9. Coordination polymers of Fe(iii) and Al(iii) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction.

    Dhara, Barun; Sappati, Subrahmanyam; Singh, Santosh K; Kurungot, Sreekumar; Ghosh, Prasenjit; Ballav, Nirmalya


    Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(iii) and Al(iii) based coordination polymers in the form of metal-organic gels with the 4,4',4''-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

  10. Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions

    Wang, Jin-Hua; Zhang, E.; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng


    Three new metal coordination complexes, namely, [Co(BPO)2(H2O)4](BS)2(H2O)2 (1), [Co(BPO)2(H2O)4](ABS)2(H2O)2 (2), [Co(BPO)2(H2O)4](MBS)2(H2O)2 (3) [BPO=2,5-di(pyridin-4-yl)-1,3,4-oxadiazole, BS=benzenesulphonate, ABS=4-aminobenzenesulphonate, MBS=4-methylbenzenesulphonate] were obtained under hydrothermal conditions. Complexes 1-3 were structurally characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR and thermogravimetric analyses (TGA). All of them display a zero-dimensional motif, in which strong intermolecular hydrogen bonding interactions (O-H···O/N) and packing interactions (C-H···π and π···π) make them achieve a three-dimensional supramolecular architecture. The primary catalytic results of these three complexes show that high efficiency for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones was observed under solvent free conditions through Biginelli reactions. The present catalytic protocols exhibit advantages such as excellent yield, easy isolation, eco-friendly conditions, and short reaction time.

  11. Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D(+)+H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface.

    Ghosh, Sandip; Sahoo, Tapas; Adhikari, Satrajit; Sharma, Rahul; Varandas, António J C


    We implement a coupled three-dimensional (3D) time-dependent wave packet formalism for the 4D reactive scattering problem in hyperspherical coordinates on the accurate double many body expansion (DMBE) potential energy surface (PES) for the ground and first two singlet states (1(1)A', 2(1)A', and 3(1)A') to account for nonadiabatic processes in the D(+) + H2 reaction for both zero and nonzero values of the total angular momentum (J). As the long-range interactions in D(+) + H2 contribute significantly due to nonadiabatic effects, the convergence profiles of reaction probabilities for the reactive noncharge transfer (RNCT), nonreactive charge transfer (NRCT), and reactive charge transfer (RCT) processes are shown for different collisional energies with respect to the helicity (K) and total angular momentum (J) quantum numbers. The total and state-to-state cross sections are presented as a function of the collision energy for the initial rovibrational state v = 0, j = 0 of the diatom, and the calculated cross sections compared with other theoretical and experimental results.

  12. Tissue-Specific Transcriptome and Hormonal Regulation of Pollinated and Parthenocarpic Fig (Ficus carica L. Fruit Suggest that Fruit Ripening is Coordinated by the Reproductive Part of the Syconium

    Yogev Rosianski


    Full Text Available In the unconventional climacteric fig (Ficus carica fruit, pollinated and parthenocarpic fruit of the same genotype exhibit different ripening characteristics. Integrative comparative analyses of tissue-specific transcript and of hormone levels during fruit repining from pollinated vs. parthenocarpic fig fruit were employed to unravel the similarities and differences in their regulatory processes during fruit repining. Assembling tissue-specific transcripts into 147,000 transcripts with 53,000 annotated genes provided new insights into the spatial distribution of many classes of regulatory and structural genes, including those related to color, taste and aroma, storage, protein degradation, seeds and embryos, chlorophyll, and hormones. Comparison of the pollinated and parthenocarpic tissues during fruit ripening showed differential gene expression, especially in the fruit inflorescence. The distinct physiological green phase II and ripening phase III differed significantly in their gene-transcript patterns in both pulp and inflorescence tissues. Gas chromatographic analysis of whole fruits enabled the first determination of ripening-related hormone levels from pollinated and non-pollinated figs. Ethylene and auxin both increased during fruit ripening, irrespective of pollination, whereas no production of active gibberellins or cytokinins was found in parthenocarpic or pollinated ripening fruit. Tissue-specific transcriptome revealed apparent different metabolic gene patterns for ethylene, auxin and ABA in pollinated vs. parthenocarpic fruit, mostly in the fruit inflorescence. Our results demonstrate that the production of abscisic acid (ABA, non-active ABA–GE conjugate and non-active indoleacetic acid (IAA–Asp conjugate in pollinated fruits is much higher than in parthenocarpic fruits. We suggest that fruit ripening is coordinated by the reproductive part of the syconium and the differences in ABA production between pollinated and

  13. A New Bioinspired Perchlorate Reduction Catalyst with Significantly Enhanced Stability via Rational Tuning of Rhenium Coordination Chemistry and Heterogeneous Reaction Pathway.

    Liu, Jinyong; Han, Mengwei; Wu, Dimao; Chen, Xi; Choe, Jong Kwon; Werth, Charles J; Strathmann, Timothy J


    Rapid reduction of aqueous ClO4(-) to Cl(-) by H2 has been realized by a heterogeneous Re(hoz)2-Pd/C catalyst integrating Re(O)(hoz)2Cl complex (hoz = oxazolinyl-phenolato bidentate ligand) and Pd nanoparticles on carbon support, but ClOx(-) intermediates formed during reactions with concentrated ClO4(-) promote irreversible Re complex decomposition and catalyst deactivation. The original catalyst design mimics the microbial ClO4(-) reductase, which integrates Mo(MGD)2 complex (MGD = molybdopterin guanine dinucleotide) for oxygen atom transfer (OAT). Perchlorate-reducing microorganisms employ a separate enzyme, chlorite dismutase, to prevent accumulation of the destructive ClO2(-) intermediate. The structural intricacy of MGD ligand and the two-enzyme mechanism for microbial ClO4(-) reduction inspired us to improve catalyst stability by rationally tuning Re ligand structure and adding a ClOx(-) scavenger. Two new Re complexes, Re(O)(htz)2Cl and Re(O)(hoz)(htz)Cl (htz = thiazolinyl-phenolato bidentate ligand), significantly mitigate Re complex decomposition by slightly lowering the OAT activity when immobilized in Pd/C. Further stability enhancement is then obtained by switching the nanoparticles from Pd to Rh, which exhibits high reactivity with ClOx(-) intermediates and thus prevents their deactivating reaction with the Re complex. Compared to Re(hoz)2-Pd/C, the new Re(hoz)(htz)-Rh/C catalyst exhibits similar ClO4(-) reduction activity but superior stability, evidenced by a decrease of Re leaching from 37% to 0.25% and stability of surface Re speciation following the treatment of a concentrated "challenge" solution containing 1000 ppm of ClO4(-). This work demonstrates the pivotal roles of coordination chemistry control and tuning of individual catalyst components for achieving both high activity and stability in environmental catalyst applications.

  14. Reactions

    Søndergaard, Morten


      My concern is to understand augmentation as an emergent modality - among many others in ‘the expanding digital field' (Søndergaard M. , Transformative Creativity in the Expanded Digital Field, 2009)' - attributed to the production of contemporary art and the ‘archive of knowledge' in the (art......) museum. Augmentation, in this expanding digital field, is part of a production of new public spaces, as well as a new reality that affects and traverses art and institutions immanently and througout. The expanding digital field is transforming art and the art museum in a number of fundamental ways, a few...... that ties together ... (Robert J.K. Jacob, 2008) I suggest that a negotiation between reality-based interaction and a digital dialectic (Lunenfeld, 1999)(Søndergaard M. o., 2008) is becoming still more evident, on two levels: 1) As an investigation into (the visuality of) a digital reality under...

  15. 氯化镧与甘氨酸配位反应的热化学研究%Thermochemical Study of the Reaction of Lanthanum Chloride Coordinated with Glycine

    周传佩; 陈文生; 刘义; 李林尉; 屈松生


    The reaction enthalpy of coordination reaction of lanthanum chloride with Glycine is determined by solution calorimetry in an isoperibel reaction calorimeter. The calormetric solvent is the solution of hydrochloric acid (2 mol·L- 1), a new thermochemical cycle is designed. According to the results, the following date:()(298.2 K)=- 4.310 kJ·mol- 1()(La(Gly)3Cl3· 5H2O, s, 298.2 K)=- 4222.93 kJ·mol- 1 were obtained.


    温德才; 刘义; 胡立新; 李昕; 屈松生


    The reaction enthalpy of solid-solid coordination reaction of 8-hoxine with zinc acetate is determined by solution calorimetry in an isoperibel reaction calorimeter. The calorimetric solvent is the solution of hydrochloric acid (4 mol·L-1). According to the results, the value ΔrH(-○m)=-1.002 kJ·mol-1ΔfH(-○m)(Zn(oxin)2·H2O)=-582.123 kJ·mol-1 are recommended.

  17. Discovery and synthetic applications of novel silicon-carbon bond cleavage reactions based on the coordination number change of organosilicon compounds

    Tamao, Kohei


    Some synthetically useful transformations of organosilicon compounds have been developed since the mid 1970s, based on the new concept that the silicon-carbon bonds are activated toward electrophilic cleavage via the formation of penta- and hexa-coordinate species. This review mainly consists of the following aspects: (1) a general concept for the activation of the silicon-carbon bond via penta- and hexa-coordinate species, (2) synthetic application of hexa-coordinate organopentafluorosilicat...

  18. New class of phosphine oxide donor-based supramolecular coordination complexes from an in situ phosphine oxidation reaction or phosphine oxide ligands.

    Shankar, Bhaskaran; Elumalai, Palani; Shanmugam, Ramasamy; Singh, Virender; Masram, Dhanraj T; Sathiyendiran, Malaichamy


    A one-pot, multicomponent, coordination-driven self-assembly approach was used to synthesize the first examples of neutral bridging phosphine oxide donor-based supramolecular coordination complexes. The complexes were self-assembled from a fac-Re(CO)3 acceptor, an anionic bridging O donor, and a neutral soft phosphine or hard phosphine oxide donor.

  19. Five-coordinate [Pt(II)(bipyridine)2(phosphine)](n+) complexes: long-lived intermediates in ligand substitution reactions of [Pt(bipyridine)2](2+) with phosphine ligands.

    Lo, Warrick K C; Cavigliasso, Germán; Stranger, Robert; Crowley, James D; Blackman, Allan G


    The reaction of [Pt(N-N)2](2+) [N-N = 2,2'-bipyridine (bpy) or 4,4'-dimethyl-2,2'-bipyridine (4,4'-Me2bpy)] with phosphine ligands [PPh3 or PPh(PhSO3)2(2-)] in aqueous or methanolic solutions was studied by multinuclear ((1)H, (13)C, (31)P, and (195)Pt) NMR spectroscopy, X-ray crystallography, UV-visible spectroscopy, and high-resolution mass spectrometry. NMR spectra of solutions containing equimolar amounts of [Pt(N-N)2](2+) and phosphine ligand give evidence for rapid formation of long-lived, 5-coordinate [Pt(II)(N-N)2(phosphine)](n+) complexes. In the presence of excess phosphine ligand, these intermediates undergo much slower entry of a second phosphine ligand and loss of a bpy ligand to give [Pt(II)(N-N)(phosphine)2](n+) as the final product. The coordination of a phosphine ligand to the Pt(II) ion in the intermediate [Pt(N-N)2(phosphine)](n+) complexes is supported by the observation of (31)P-(195)Pt coupling in the (31)P NMR spectra. The 5-coordinate nature of [Pt(bpy)2{PPh(PhSO3)2}] is confirmed by X-ray crystallography. X-ray crystal structural analysis shows that the Pt(II) ion in [Pt(bpy)2{PPh(PhSO3)2}]·5.5H2O displays a distorted square pyramidal geometry, with one bpy ligand bound asymmetrically. These results provide strong support for the widely accepted associative ligand substitution mechanism for square planar Pt(II) complexes. X-ray structural characterization of the distorted square planar complex [Pt(bpy)(PPh3)2](ClO4)2 confirms this as the final product of the reaction of [Pt(bpy)2](2+) with PPh3 in CD3OD. The results of density functional calculations on [Pt(bpy)2](2+), [Pt(bpy)2(phosphine)](n+), and [Pt(bpy)(phosphine)2](n+) indicate that the bonding energy follows the trend of [Pt(bpy)(phosphine)2](n+) > [Pt(bpy)2(phosphine)](n+) > [Pt(bpy)2](2+) for stability and that the formation reactions of [Pt(bpy)2(phosphine)](n+) from [Pt(bpy)2](2+) and [Pt(bpy)(phosphine)2](n+) from [Pt(bpy)2(phosphine)](n+) are energetically favorable. These

  20. Systematic Investigation of Reaction-Time Dependence of Three Series of Copper-Lanthanide/Lanthanide Coordination Polymers: Syntheses, Structures, Photoluminescence, and Magnetism.

    Zhang, Ju-Wen; Kan, Xiao-Min; Liu, Bin-Qiu; Liu, Guo-Cheng; Tian, Ai-Xiang; Wang, Xiu-Li


    Three series of copper-lanthanide/lanthanide coordination polymers (CPs) Ln(III) Cu(II) Cu(I) (bct)3 (H2 O)2 [Ln=La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9), Er (10), Yb (11), and Lu (12), H2 bct=2,5-bis(carboxymethylmercapto)-1,3,4-thiadiazole acid], Ln(III) Cu(I) (bct)2 [Ln=Ce (2 a), Pr (3 a), Nd (4 a), Sm (5 a), Eu (6 a), Gd (7 a), Tb (8 a), Dy (9 a), Er (10 a), Yb (11 a), and Lu (12 a)], and Ln(III) 2 (bct)3 (H2 O)5 [Ln=La (1 b), Ce (2 b), Pr (3 b), Nd (4 b), Sm (5 b), Eu (6 b), Gd (7 b), Tb (8 b), and Dy (9 b)] have been successfully constructed under hydrothermal conditions by modulating the reaction time. Structural characterization has revealed that CPs 1-12 possess a unique one-dimensional (1D) strip-shaped structure containing two types of double-helical chains and a double-helical channel. CPs 2 a-12 a show a three-dimensional (3D) framework formed by Cu(I) linking two types of homochiral layers with double-helical channels. CPs 1 b-9 b exhibit a 3D framework with single-helical channels. CPs 6 b and 8 b display visible red and green luminescence of the Eu(III) and Tb(III) ions, respectively, sensitized by the bct ligand, and microsecond-level lifetimes. CP 8 b shows a rare magnetic transition between short-range ferromagnetic ordering at 110 K and long-range ferromagnetic ordering below 10 K. CPs 9 a and 9 b display field-induced single-chain magnet (SCM) and/or single-molecule magnet (SMM) behaviors, with Ueff values of 51.7 and 36.5 K, respectively.

  1. Preparation of Porous Anodic Alumina/Zinc Oxide Nanowire Arrays by a Coordination Reaction Method%利用配位反应法制备多孔阳极氧化铝/氧化锌纳米线阵列

    张灵翠; 阮永丰; 王丹丽; 邱春霞


    A novel method named “coordination reaction method” was developed to fabricate zinc oxide (ZnO) nanowire arrays. The ZnO nanowires in the holes of the porous anodic alumina (PAA) template were synthesized with ammonia as a coordination agent and zinc- amino complex as a precursor by the coordination reaction method. The growth mechanism of ZnO nanowires and the conditions of the coordination reaction were also discussed. The microstructures and morphology of PAA/ZnO assembly were characterized by X-ray diffractometer, scanning electron microscope and transmission electron microscope. The results show that the ZnO nanowires prepared are a polycrystalline structure, and the nanowire arrays possess a periodic array of structure with the same morphological characteristics of PAA template.%研究了一种新型的制备氧化锌(ZnO)纳米线的配位反应法.以氨水为配位剂、氨水与可溶性的锌盐反应配制的锌氨配合物溶液为前驱液,在多孔阳极氧化铝(porous anodic alumina,PAA)模板中沉积了ZnO纳米线.研究了ZnO纳米线的生长机理和配位反应条件.用X射线衍射仪、扫描电子显微镜和透射电子显微镜对PAA/ZnO组装体的组成和形貌进行了表征.结果表明:所制备的ZnO纳米线为多晶结构,纳米线阵列具有周期排列结构,与多孔氧化铝模板形态特征一致.

  2. A molecular orbital study of a model of the Mg2+ coordination complex of the self splicing reaction of ribosomal RNA

    McCourt, M.; Shibata, M.; McIver, J. W.; Rein, R.


    Recent discoveries have established the fact that RNA is capable of acting as an enzyme. In this study two different types of molecular orbital calculations, INDO and ab initio, were used in an attempt to assess the structural/functional role of the Mg2+ hydrated complex in ribozyme reactions. Preliminary studies indicate that the reaction is multistep and that the Mg2+ complex exerts a stabilizing effect on the intermediate or midpoint of the reaction.

  3. Carbon-carbon cross-coupling reactions catalyzed by a two-coordinate nickel(II)-bis(amido) complex via observable Ni(I) , Ni(II) , and Ni(III) intermediates.

    Lipschutz, Michael I; Tilley, T Don


    Recently, the development of more sustainable catalytic systems based on abundant first-row metals, especially nickel, for cross-coupling reactions has attracted significant interest. One of the key intermediates invoked in these reactions is a Ni(III) -alkyl species, but no such species that is part of a competent catalytic cycle has yet been isolated. Herein, we report a carbon-carbon cross-coupling system based on a two-coordinate Ni(II) -bis(amido) complex in which a Ni(III) -alkyl species can be isolated and fully characterized. This study details compelling experimental evidence of the role played by this Ni(III) -alkyl species as well as those of other key Ni(I) and Ni(II) intermediates. The catalytic cycle described herein is also one of the first examples of a two-coordinate complex that competently catalyzes an organic transformation, potentially leading to a new class of catalysts based on the unique ability of first-row transition metals to accommodate two-coordinate complexes.

  4. Testing the nature of reaction coordinate describing interaction of H2 with carbonyl carbon, activated by Lewis acid complexation, and the Lewis basic solvent: A Born-Oppenheimer molecular dynamics study with explicit solvent

    Heshmat, Mojgan; Privalov, Timofei


    Using Born-Oppenheimer molecular dynamics (BOMD), we explore the nature of interactions between H2 and the activated carbonyl carbon, C(carbonyl), of the acetone-B(C6F5)3 adduct surrounded by an explicit solvent (1,4-dioxane). BOMD simulations at finite (non-zero) temperature with an explicit solvent produced long-lasting instances of significant vibrational perturbation of the H—H bond and H2-polarization at C(carbonyl). As far as the characteristics of H2 are concerned, the dynamical transient state approximates the transition-state of the heterolytic H2-cleavage. The culprit is the concerted interactions of H2 with C(carbonyl) and a number of Lewis basic solvent molecules—i.e., the concerted C(carbonyl)⋯H2⋯solvent interactions. On one hand, the results presented herein complement the mechanistic insight gained from our recent transition-state calculations, reported separately from this article. But on the other hand, we now indicate that an idea of the sufficiency of just one simple reaction coordinate in solution-phase reactions can be too simplistic and misleading. This article goes in the footsteps of the rapidly strengthening approach of investigating molecular interactions in large molecular systems via "computational experimentation" employing, primarily, ab initio molecular dynamics describing reactants-interaction without constraints of the preordained reaction coordinate and/or foreknowledge of the sampling order parameters.

  5. WHO co-ordinated short-term double-blind trial with thalidomide in the treatment of acute lepra reactions in male lepromatous patients.

    Iyer, C G; Languillon, J; Ramanujam, K; Tarabini-Castellani, G; De las Aguas, J T; Bechelli, L M; Uemura, K; Martinez Dominguez, V; Sundaresan, T


    The treatment of lepra reactions constitutes one of the most serious problems in leprosy. For this reason, the first reports in 1965 of the favourable results obtained with thalidomide aroused considerable interest and led WHO, in 1967, to carry out a trial with the co-operation of four centres. A short-term double-blind trial was designed to study the effect of thalidomide, in comparison with acetylsalicylic acid, in the treatment of acute lepra reactions in male lepromatous patients. Acetylsalicylic acid was used instead of a placebo because of its antipyretic and analgesic activity. Because of the severe adverse reactions that may be caused by thalidomide, mainly the teratogenic effects, only males were included in the trial.The results of this short-term study seem to confirm previous reports of the efficacy of thalidomide and indicate that acetylsalicylic acid also seems to be helpful in the management of certain symptoms of lepra reactions.

  6. Hydrogen transfer reactions in viscous media — Potential and free energy surfaces in solvent–solute coordinates and their kinetic implications

    Wiebe, Heather; Prachnau, Melissa; Weinberg, Noham


    Two-dimensional potential energy and free energy surfaces are obtained using quantum mechanical and molecular dynamics calculations for four hydrogen transfer reactions in n-hexane solvent: the methyl–methane, n-propyl–n-propane, n-pentyl...

  7. Mechanisms that underlie coordination in children with developmental coordination disorder.

    O'Brien, Jane Clifford; Williams, Harriet G; Bundy, Anita; Lyons, Jim; Mittal, Amita


    The authors examined potential mechanisms underlying motor coordination in children with developmental coordination disorder (DCD). Because children with DCD experience difficulty processing visual, auditory, and vibrotactile information, the authors explored patterns of choice reaction time (RT) in young (6-7 years) and older (9-10 years) children with and without DCD by using a compatibility-incompatibility paradigm and different sensory modalities. Young children responded more slowly than older children to visual, auditory, and vibrotactile stimuli. Children with DCD took longer than typical children to process visual and vibrotactile stimuli under more complex stimulus-response mappings. Young children with DCD responded more slowly than typical children to visual and vibrotactile information under incompatible conditions. Children with DCD responded faster than unaffected children to auditory stimuli. The results suggest that there is a developmental nature in the processing of visual and auditory input and imply that the vibrotactile sensory modality may be key to the motor coordination difficulties of children with DCD.

  8. Poisson Coordinates.

    Li, Xian-Ying; Hu, Shi-Min


    Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

  9. Reactions with a Metalloid Tin Cluster {Sn10[Si(SiMe3)3]4}(2-): Ligand Elimination versus Coordination Chemistry.

    Schrenk, Claudio; Gerke, Birgit; Pöttgen, Rainer; Clayborne, Andre; Schnepf, Andreas


    Chemistry that uses metalloid tin clusters as a starting material is of fundamental interest towards understanding the reactivity of such compounds. Since we identified {Sn10[Si(SiMe3)3]4}(2-) 7 as an ideal candidate for such reactions, we present a further step in the understanding of metalloid tin cluster chemistry. In contrast to germanium chemistry, ligand elimination seems to be a major reaction channel, which leads to the more open metalloid cluster {Sn10[Si(SiMe3)3]3}(-) 9, in which the Sn core is only shielded by three Si(SiMe3)3 ligands. Compound 9 is obtained through different routes and is crystallised together with two different countercations. Besides the structural characterisation of this novel metalloid tin cluster, the electronic structure is analysed by (119)Sn Mössbauer spectroscopy. Additionally, possible reaction pathways are discussed. The presented first step into the chemistry of metalloid tin clusters thus indicates that, with respect to metalloid germanium clusters, more reaction channels are accessible, thereby leading to a more complex reaction system.

  10. Light-Induced Copper(II) Coordination by a Bicyclic Tetraaza Chelator through a Ligand-to-Metal Charge-Transfer Reaction

    Holm-Jørgensen, Jacob Rørdam; Jensen, Mikael; Bjerrum, Morten


    To enable utilization of the broad potential of copper isotopes in nuclear medicine, rapid and robust chelation of the copper is required. Bowl adamanzanes (bicyclic tetraaza ligands) can form kinetically stable copper complexes, but they are usually formed at low rates unless high pH values...... and high temperatures are applied. We have investigated the effects of the variation in the pH, different anions, and UV irradiation on the chelation rate. UV spectra of mixtures of Cu2+ and [24.31]adz in water show the existence of a longlived two-coordinated copper(II) intermediate (only counting...

  11. Increased coordination in public transport – which mechanisms are available?

    Sørensen, Claus Hedegaard; Longva, Frode


    After several years of New Public Management reforms within public transport, coordination seems to receive increased attention. With examples of actual as well as suggested changes taken from Denmark, Sweden and the UK the aim of the article is to analyse and classify the mechanisms utilized...... and suggested to increase coordination between core stakeholders within passenger railway services and bus services. Four distinctive mechanisms of coordination are suggested, namely organisational coordination, contractual coordination, partnership coordination and discursive coordination. Each coordination...

  12. Uranyl ion coordination

    Evans, H.T.


    A review of the known crystal structures containing the uranyl ion shows that plane-pentagon coordination is equally as prevalent as plane-square or plane-hexagon. It is suggested that puckered-hexagon configurations of OH - or H2O about the uranyl group will tend to revert to plane-pentagon coordination. The concept of pentagonal coordination is invoked for possible explanations of the complex crystallography of the natural uranyl hydroxides and the unusual behavior of polynuclear ions in hydrolyzed uranyl solutions.

  13. Coordination of NO(2)(-) ligand to Cu(I) ion in an O,O-bidentate fashion that evolves NO gas upon protonation: a model reaction relevant to the denitrification process.

    Chen, Chi-Shian; Yeh, Wen-Yann


    [(2,6-(Ph(2)P(o-C(6)H(4))CH=N)(2)C(5)H(3)N)(2)Cu(2)](BF(4))(2) (2) has been prepared by treating 2,6-(Ph(2)P(o-C(6)H(4))CH=N)(2)C(5)H(3)N (1) with [Cu(NCMe)(4)]BF(4). Reaction of 2 and [Ph(3)PNPPh(3)]NO(2) produces (2,6-(Ph(2)P(o-C(6)H(4))CH=N)(2)C(5)H(3)N)Cu(NO(2)) (3), with the nitrite ligand in a unique eta(2)-O,O coordination mode. Protonation of 3 releases NO gas, which mimics the reactivity of the Type 2 Cu-NiRs.

  14. Preparation, Crystal Structure and Enthalpy Change of Formation of the Reaction in Liquid Phase of a New Three-Dimensional Mixed-Ligand Holmium(Ⅲ) Coordination Polymer Based on Strong π-π Stacking Interactions

    REN,Yi-Xia; CHEN,San-Ping; GAO,Sheng-Li


    A new three-dimensional coordination polymer, [Ho(5-nip)(phen)(NO3)(DMF)] (5-nip=5-nitroisophthalic acid and phen=1,10-phenanthroline), was prepared and characterized by single crystal X-ray diffraction, elemental analysis, IR spectrum and DTG-DSC techniques. The results show that the title complex crystallizes in space group P2/m with a= 1.0906(3) nm, b=1.2804 (3) nm, c= 1.6987(4) nm,β=91.400(5)°, Z=4, Dc= 1.931 Mg/m3, F(000)=1352. Each Ho(Ⅲ) ion is nine-coordinated by one chelating bidentate and two monodentate bridging carboxylate groups, one chelating bidentate NO3- anion, one DMF molecule and one 1,10-phenanthroline molecule. The complex is constructed with one-dimensional ribbons featuring dinuclear units and the one-dimensional ribbons are further assembled into two-dimensional networks by strong π-π stacking interactions with the distance of 0.327 nm,then the networks are arranged into three-dimensional structure according to ABAB fashion. The complex exhibits high stability up to 600 ℃. Its enthalpy change of formation of the reaction in liquid-phase in solvent DMF was measured using an RD496-Ⅲ type microcalorimeter with a value of (-11.016±0.184) kJ·mol-1.

  15. Synthesis, Characterization, and Crystal Structure of a Novel Copper(II) Complex with an Asymmetric Coordinated 2,2'-Bipyridine Derivative: A Model for the Associative Complex in the Ligand-Substitution Reactions of [Cu(tren)L](2+)?

    Lu Zl, Zhong-lin; Duan Cy, Chun-ying; Tian Yp, Yu-peng; You Xz, Xiao-zeng; Huang Xy, Xiao-ying


    The titled compound, (tris(2-aminoethyl)amine)(4,5-diazafluoren-9-one) copper(II) perchlorate, [Cu(C(6)H(18)N(4))(C(11)H(6)N(2)O)(ClO(4))(2)], 1, has been designed, synthesized, and characterized. The electronic and ESR spectra are very different from those of [Cu(tren)L](2+) complexes where L is monodentate ligand. The X-ray analysis revealed that the complex crystallizes in the monoclinic space group P2(1)/c, with a = 10.726(6) Å, b = 14.921(7) Å, c = 14.649(4) Å, beta = 95.13(3) degrees, and Z = 4. The copper(II) ion is coordinated by four nitrogen atoms from tris(2-aminoethyl)amine (tren) and two nitrogen atoms from 4,5-diazafluoren-9-one (dzf) to form an unusual six-coordinate (4 + 1 + 1') geometry. The structure is very rare, and to our knowledge, it is the first example of an asymmetric bidentate phenanthroline derivative metal complex. The structure could be used as a model of the associative complex in the ligand-exchange and ligand-substitution reactions of [Cu(tren)L](2+) and the catalytic mechanisms of enzymes involving copper sites. From the electronic and variable-temperature ESR spectra in solution, the possible mechanism of these reactions has also been proposed. As a comparison, the complex [Cu(tren)(ImH)(ClO(4))(2)], 2, was also synthesized and characterized, where ImH is imidazole.

  16. Hypnosis, suggestion, and suggestibility: an integrative model.

    Lynn, Steven Jay; Laurence, Jean-Roch; Kirsch, Irving


    This article elucidates an integrative model of hypnosis that integrates social, cultural, cognitive, and neurophysiological variables at play both in and out of hypnosis and considers their dynamic interaction as determinants of the multifaceted experience of hypnosis. The roles of these variables are examined in the induction and suggestion stages of hypnosis, including how they are related to the experience of involuntariness, one of the hallmarks of hypnosis. It is suggested that studies of the modification of hypnotic suggestibility; cognitive flexibility; response sets and expectancies; the default-mode network; and the search for the neurophysiological correlates of hypnosis, more broadly, in conjunction with research on social psychological variables, hold much promise to further understanding of hypnosis.


    A. Ball

    Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

  18. Atomic resolution structures of discrete stages on the reaction coordinate of the [Fe4S4] enzyme IspG (GcpE)

    Quitterer, Felix


    IspG is the penultimate enzyme in non-mevalonate biosynthesis of the universal terpene building blocks isopentenyl diphosphate and dimethylallyl diphosphate. Its mechanism of action has been the subject of numerous studies but remained unresolved due to difficulties in identifying distinct reaction intermediates. Using a moderate reducing agent as well as an epoxide substrate analogue, we were now able to trap and crystallographically characterize various stages in the IspG catalyzed conversion of 2-C-methyl-D-erythritol-2,4-cyclo-diphosphate (MEcPP) to (E)-1-hydroxy-2-methylbut-2-enyl-4-diphosphate (HMBPP). In addition, the enzyme’s structure was determined in complex with several inhibitors. These results, combined with recent electron paramagnetic resonance data, allowed us to deduce a detailed and complete IspG catalytic mechanism which describes all stages from initial ring opening to formation of HMBPP via discrete radical and carbanion intermediates. The data presented in this article provide a guide for the design of selective drugs against many pro- and eukaryotic pathogens to which the non-mevalonate pathway is essential for survival and virulence.

  19. Adaptive group coordination and role differentiation.

    Michael E Roberts

    Full Text Available Many real world situations (potluck dinners, academic departments, sports teams, corporate divisions, committees, seminar classes, etc. involve actors adjusting their contributions in order to achieve a mutually satisfactory group goal, a win-win result. However, the majority of human group research has involved situations where groups perform poorly because task constraints promote either individual maximization behavior or diffusion of responsibility, and even successful tasks generally involve the propagation of one correct solution through a group. Here we introduce a group task that requires complementary actions among participants in order to reach a shared goal. Without communication, group members submit numbers in an attempt to collectively sum to a randomly selected target number. After receiving group feedback, members adjust their submitted numbers until the target number is reached. For all groups, performance improves with task experience, and group reactivity decreases over rounds. Our empirical results provide evidence for adaptive coordination in human groups, and as the coordination costs increase with group size, large groups adapt through spontaneous role differentiation and self-consistency among members. We suggest several agent-based models with different rules for agent reactions, and we show that the empirical results are best fit by a flexible, adaptive agent strategy in which agents decrease their reactions when the group feedback changes. The task offers a simple experimental platform for studying the general problem of group coordination while maximizing group returns, and we distinguish the task from several games in behavioral game theory.

  20. Effect of head and neck position on vertical ground reaction forces and interlimb coordination in the dressage horse ridden at walk and trot on a treadmill.

    Weishaupt, M A; Wiestner, T; von Peinen, K; Waldern, N; Roepstorff, L; van Weeren, R; Meyer, H; Johnston, C


    Little is known in quantitative terms about the influence of different head-neck positions (HNPs) on the loading pattern of the locomotor apparatus. Therefore it is difficult to predict whether a specific riding technique is beneficial for the horse or if it may increase the risk for injury. To improve the understanding of forelimb-hindlimb balance and its underlying temporal changes in relation to different head and neck positions. Vertical ground reaction force and time parameters of each limb were measured in 7 high level dressage horses while being ridden at walk and trot on an instrumented treadmill in 6 predetermined HNPs: HNP1 - free, unrestrained with loose reins; HNP2 - neck raised, bridge of the nose in front of the vertical; HNP3 - neck raised, bridge of the nose behind the vertical; HNP4 - neck lowered and flexed, bridge of the nose considerably behind the vertical; HNP5 - neck extremely elevated and bridge of the nose considerably in front of the vertical; HNP6 - neck and head extended forward and downward. Positions were judged by a qualified dressage judge. HNPs were assessed by comparing the data to a velocity-matched reference HNP (HNP2). Differences were tested using paired t test or Wilcoxon signed rank test (Pwalk, stride duration and overreach distance increased in HNP1, but decreased in HNP3 and HNP5. Stride impulse was shifted to the forehand in HNP1 and HNP6, but shifted to the hindquarters in HNP5. At the trot, stride duration increased in HNP4 and HNP5. Overreach distance was shorter in HNP4. Stride impulse shifted to the hindquarters in HNP5. In HNP1 peak forces decreased in the forelimbs; in HNP5 peak forces increased in fore- and hindlimbs. HNP5 had the biggest impact on limb timing and load distribution and behaved inversely to HNP1 and HNP6. Shortening of forelimb stance duration in HNP5 increased peak forces although the percentage of stride impulse carried by the forelimbs decreased. An extremely high HNP affects functionality much

  1. Size Determination of Catena-&mgr;-2,5-dihydroxy-p-benzoquinonatonickel(II) Coordination Polymer Colloid and Its Photochemical Reaction

    Miyoshi; Matsumoto; Kanda


    Electric birefringence and streaming dichroism measurements of catena-&mgr;-2,5-dihydroxy-p-benzoquinonatonickel(II) [dhqNi(II)] aqua sol suggested that the average length of the sol particles was ca. 380 nm and the axial ratio was 2.0-2.3 as the prolate spheroid. The average particle length in the scanning microscopic images was 370 ± 60 nm and the axial ratio 2.3 ± 0.6. This aqua colloid was decomposed by UV irradiation under an O2 gas atmosphere, but under a N2 gas atmosphere its decomposition was depressed. Furthermore, addition of sacrificial reagents such as l-ascorbic acid depressed the decomposition. These facts suggested that the photogenerated electron originating from the irradiated dhqNi(II) colloidal particle reduced O2, while the positive hole on the colloid oxidized dhqNi(II) itself. It was found that the reduction product from O2 reduced Cr6+ (in Cr2O72-) to Cr3+, and the oxidized dhqNi(II) oxidized I- to I2/2. Therefore, H2O2 formation was proposed as the photochemical reduction product. Copyright 1997Academic Press

  2. Increased coordination in public transport – which mechanisms are available?

    Sørensen, Claus Hedegaard; Longva, Frode


    mechanism has its strengths and failures. The article also debates to what extent the mechanisms conflict with three core characteristics of New Public Management: Unbundling of the public sector into corporatized units; more contract-based competitive provision; and greater emphasis on output controls....... and suggested to increase coordination between core stakeholders within passenger railway services and bus services. Four distinctive mechanisms of coordination are suggested, namely organisational coordination, contractual coordination, partnership coordination and discursive coordination. Each coordination...


    A. Ball


    Operational Experience At the end of the first full-year running period of LHC, CMS is established as a reliable, robust and mature experiment. In particular common systems and infrastructure faults accounted for <0.6 % CMS downtime during LHC pp physics. Technical operation throughout the entire year was rather smooth, the main faults requiring UXC access being sub-detector power systems and rack-cooling turbines. All such problems were corrected during scheduled technical stops, in the shadow of tunnel access needed by the LHC, or in negotiated accesses or access extensions. Nevertheless, the number of necessary accesses to the UXC averaged more than one per week and the technical stops were inevitably packed with work packages, typically 30 being executed within a few days, placing a high load on the coordination and area management teams. It is an appropriate moment for CMS Technical Coordination to thank all those in many CERN departments and in the Collaboration, who were involved in CMS techni...

  4. Spectral Study on Coordination Reaction between metMyoglobin and Nitric Oxide%光谱法研究高铁肌红蛋白活性中心与一氧化氮的配位反应

    唐乾; 张越; 曹洪玉; 史珊珊; 郑学仿


    As we all known ,the instantaneous reaction between protein and ligands are very important to adjust the normal pla‐ying of biological function .And nitric oxide interactions with iron are the most important biological reactions in which NO partic‐ipates .Unlike carbon monoxide or oxygen ,NO can also bind reversibly to ferric iron .In this paper ,UV‐Vis absorption and CD spectra were used to study coordination reaction process between horse heart metMb and NO ,to demonstrate the coordination reaction mechanism and to explore the influencing factors of metMb with NO .The experimental results showed that metMb could react with NO ,and obtained three new peaks at 420 nm ,534 and 568 nm ,respectively ,which implied metMb and NO have reacted and generated a new complex‐nitrosylmetmyoglobin (metMbNO) .Then as time went on ,NO concentration de‐creased in the solution ,and the Fe‐N bond fractured under the attack of H2O ,then NO leaves slowly from metMbNO ,and met‐Mb was regenerated .In this experiment ,we also found that external conditions such as buffer medium ,ionic strength ,pH , temperature ,etc ,had an important influence on the coordination reaction between metMb and NO .It was favorable for the coor‐dination reaction ,when the 0.01 mol・L -1 phosphate buffer solution is near neutral condition ,the temperature is 280 K ,the co‐ordination reaction could reach equilibrium at a fastest speed .In addition ,the CD date show that NO only reacts with Fe atom in the center of heme and has less effect on the secondary structuers of protein .The research of metMb and NO played an important role to further study the function of NO .Especially the establish of equilibrium reaction mechanism between NO and heme pro‐tein has an important research value on maintaining the balance of NO in vivo and keeping the normal function in the body ’s cells .%蛋白质与配体作用的瞬时性对调节生物功能的正常发挥至关重要。采用紫外‐可见

  5. Coordinate-Free Rotation Operator.

    Leubner, C.


    Suggests the use of a coordinate-free rotation operator for the teaching of rotations in Euclidean three space because of its twofold didactic advantage. Illustrates the potentialities of the coordinate-free rotation operator approach by a number of examples. (Author/GA)

  6. Coordination Capacity

    Cuff, Paul; Cover, Thomas


    We develop elements of a theory of cooperation and coordination in networks. Rather than considering a communication network as a means of distributing information, or of reconstructing random processes at remote nodes, we ask what dependence can be established among the nodes given the communication constraints. Specifically, in a network with communication rates between the nodes, we ask what is the set of all achievable joint distributions p(x1, ..., xm) of actions at the nodes on the network. Several networks are solved, including arbitrarily large cascade networks. Distributed cooperation can be the solution to many problems such as distributed games, distributed control, and establishing mutual information bounds on the influence of one part of a physical system on another.

  7. Theories of Suggestion.

    Brown, W


    The word "suggestion" has been used in educational, scientific and medical literature in slightly different senses. In psychological medicine the use of suggestion has developed out of the earlier use of hypnotic influence.Charcot defined hypnosis as an artificial hysteria, Bernheim as an artificially increased suggestibility. The two definitions need to be combined to give an adequate account of hypnosis. Moreover, due allowance should be made for the factors of dissociation and of rapport in hypnotic phenomena.The relationships between dissociation, suggestibility, and hypnotizability.Theories of suggestion propounded by Pierre Janet, Freud, McDougall, Pawlow and others. Ernest Jones's theory of the nature of auto-suggestion. Janet explains suggestion in terms of ideo-motor action in which the suggested idea, because of the inactivity of competing ideas, produces its maximum effect. Freud explains rapport in terms of the sex instinct "inhibited in its aim" (transference) and brings in his distinction of "ego" and "ego-ideal" (or "super-ego") to supplement the theory. Jones explains auto-suggestion in terms of narcissism. McDougall explains hypnotic suggestion in terms of the instinct of self-abasement. But different instincts may supply the driving power to produce suggestion-effects in different circumstances. Such instincts as those of self-preservation (fear) and gregariousness may play their part. Auto-suggestion as a therapeutic factor is badly named. It supplements, but does not supplant the will, and makes complete volition possible.


    C. Delaere


    Since the LHC ceased operations in February, a lot has been going on at Point 5, and Run Coordination continues to monitor closely the advance of maintenance and upgrade activities. In the last months, the Pixel detector was extracted and is now stored in the pixel lab in SX5; the beam pipe has been removed and ME1/1 removal has started. We regained access to the vactank and some work on the RBX of HB has started. Since mid-June, electricity and cooling are back in S1 and S2, allowing us to turn equipment back on, at least during the day. 24/7 shifts are not foreseen in the next weeks, and safety tours are mandatory to keep equipment on overnight, but re-commissioning activities are slowly being resumed. Given the (slight) delays accumulated in LS1, it was decided to merge the two global runs initially foreseen into a single exercise during the week of 4 November 2013. The aim of the global run is to check that we can run (parts of) CMS after several months switched off, with the new VME PCs installed, th...


    Christophe Delaere


    The focus of Run Coordination during LS1 is to monitor closely the advance of maintenance and upgrade activities, to smooth interactions between subsystems and to ensure that all are ready in time to resume operations in 2015 with a fully calibrated and understood detector. After electricity and cooling were restored to all equipment, at about the time of the last CMS week, recommissioning activities were resumed for all subsystems. On 7 October, DCS shifts began 24/7 to allow subsystems to remain on to facilitate operations. That culminated with the Global Run in November (GriN), which   took place as scheduled during the week of 4 November. The GriN has been the first centrally managed operation since the beginning of LS1, and involved all subdetectors but the Pixel Tracker presently in a lab upstairs. All nights were therefore dedicated to long stable runs with as many subdetectors as possible. Among the many achievements in that week, three items may be highlighted. First, the Strip...

  10. Manufacturer's Suggested Retail Prices

    Rosenkranz, S.


    Based on arguments of the `reference- dependent' theory of consumer choice we assume that a retailer's discount of a manufacturer's suggested retail price changes consumers' demand. We can show that the producer benefits from suggesting a retail price. If consumers are additionally sufficiently `los

  11. Research Suggestions for Students

    Holland, John L.


    Describes how to perform accurate research. Also includes suggestions for specific research projects under such headings as: (1) types; (2) environments; (3) interactions; (4) classification; (5) hexagonal model; and (6) differentiation. (HMV)

  12. Open to Suggestion.

    Journal of Reading, 1984


    Contributors offer suggestions concerning parents as reading stimulators, book discussions, a test bank for the secondary school/college reading lab, standardized reading tests, television reading, plagiarism, vocabulary development, and book reports. (FL)

  13. Open To Suggestion.

    Journal of Reading, 1988


    Suggests class activities in three short articles including: (1) "Students Evaluate Reading," by Lenore Sandel; (2) "Solving Verbal Analogies," by Edward J. Dwyer; and (3) "Becoming Testwise," by Dean Schoen. (RS)

  14. Motor coordination: a local hub for coordination.

    Calabrese, Ronald L


    A local interneuron of a crayfish central pattern generator serves as a hub that integrates ascending and descending coordinating information and passes it on to a local oscillatory microcircuit to coordinate a series of segmental appendages known as swimmerets.

  15. Attitudes to Suggestions



    As an Australian expat teaching English in China for over four years, I often encourage my students to not only learn the English language but also try to understand Western culture. This includes the fact that Westerners frequently initiate proactive suggestions on any aspects of soci-

  16. Exraction and separation of CERIUM(IV)/FLUORINE in fluoride-bearing cerium sulfate solution with fluoride coordination agent

    Li, Y; J. G. He; X. X. Xue; Ru, H. Q.; X. W. Huang; Yang, H.


    In this paper the extraction and separation of cerium/fluorine in fluoride-bearing cerium sulfate solution with fluoride coordination agent has been studied. The UV-vis spectra suggest that Zr6+ and Al3+ can scrub the F- from [CeF2] 2+ complex. The separation and conductivity studies show that aluminum salt is the most suitable fluoride coordination agent, and an ion-exchange reaction is involved between Ce4+/ [CeF2] 2+ and hydrogen ion.

  17. Suggestions for Teaching Practice

    ZHAN Na-na


    Teacher development and teaching practice(TP) have caught the eyes of researchers at home and abroad for many years. Many western scholars hold that reflective teaching is an efficient way to promote teacher development, but traditional TP is prevailing in China. Based on the merits and demerits of traditional TP and reflective TP, the author hopes to provide some suggestions for the people involved to promote the development of teacher education.

  18. Cognition in Action: the Interplay of Attention and Bimanual Coordination Dynamics

    Temprado, Jean-Jacques

    Studies on motor coordination and on attentional load have developed into separate fields of investigation, bringing out findings, methods, and theories in almost perfect isolation. Sitting at their intersection, this chapter addresses the issue of behavioral flexibility by investigating how intention modifies the stability of existing patterns of coordination between moving limbs. Moreover, it addresses the issue, largely ignored until now, of the attentional cost incurred by the Central Nervous System (CNS) in maintaining a coordination pattern at a given level of stability, in particular under different attentional priority requirements. The experimental paradigm adopted in this study provides an original mix of a classical measure of attentional load, namely, Reaction Time (RT), and of a dynamic approach to coordination, most suitable for characterizing the dynamic properties of coordinated behavior and behavioral change. This paradigm may constitute a first attempt to bridge the gap between a conceptualization of coordination in terms of information processing and another, more recent framework rooted in self-organization theories and dynamical systems models. The present studies establish that central cost and pattern stability covary, suggesting that bimanual coordination and the coupling activity ensured by the CNS to maintain such coordination bear on the same underlying dynamics.

  19. Limitations of Radar Coordinates

    Bini, Donato; Lusanna, Luca; Mashhoon, Bahram


    The construction of a radar coordinate system about the world line of an observer is discussed. Radar coordinates for a hyperbolic observer as well as a uniformly rotating observer are described in detail. The utility of the notion of radar distance and the admissibility of radar coordinates are investigated. Our results provide a critical assessment of the physical significance of radar coordinates.

  20. Adverse drug reaction suggests by a clinical vignette

    Finestone AJ


    Full Text Available Albert J FinestoneTemple University School of Medicine, Philadelphia, PA, USAI had a three-lobe pneumonia and toxic encephalopathy in 2004. A lumbar puncture did not show meningitis. Magnetic resonance imaging showed a macroadenoma of the pituitary gland. Prolactin level was significantly elevated, making the diagnosis a functioning prolactinoma requiring treatment. Initially, I was treated with the dopamineagonist cabergoline, which is also used in much larger doses to treat Parkinsonism. Recent reports have indicated heart valve damage in Parkinsonism patients treated with ergot-derived dopamine-receptor agonists.

  1. Novel Intramolecular Coordination Chemistry of Some New Metallocene Complexes

    钱延龙; 黄吉玲


    This article summarizes the recent results of systematic study on the novel intramolecular cordination chemistry of some new substituted metallocene complexes made by our research group.It deals with the syntheses,reactions,structures of 65 new substituted metallocene complexes and some application of such coordination in homogeneous ctalysis,especially the structural chemistry of such novel intramolecular coordination complexes,and the mechanism of elimination and cyclization of such coordination compounds,as well as their control action in catalytic reactions.

  2. From Coordination Polymer to Monomeric Complex: Two Cobalt Complexes from a Single Demko-Sharpless's Tetrazole Synthesis Reaction%从配位聚合物到单分子化合物的转化:Demko-Sharpless四唑合成法制备两个新颖的Co(Ⅱ)配合物



    The reaction of CoCl2· 6H2O with 4-cyanopyridine N-oxide in the present of NaN3 affords two novel complexes, {[(POTZ)(H2O)2N3]Co(H2O)} (1) and Co(POTZ)2(H2O)4 (2) (POTZ=4-tetrazolyl pyridine N-oxide), which are two different phases yielded at different stages of a single Demko-Sharpless' tetrazole synthesis reaction.Surprisingly the 1D chain coordination polymer 1 is almost completely converted into monomeric complex 2 in this reaction, and, in a separate test, 2 also can be converted into 1. CCDC: 641222, 1; 641223, 2.

  3. Age-related Analysis of Strength, Coordination and Reaction Time of Lower Extremity in Elderly%老年人下肢肌力、协调性和反应时的年龄特征相关性

    王娜; 瓮长水; 朱才兴; 刘立明; 焦伟国; 王秋华; 郭燕梅


    Objective To study the relationship between age and lower limb neuromuscular function in elderly people under the closed chain environment. Methods 45 cases met the criteria for inclusion were divided into the 60-69 years group, 70~74 years group, and > 75 years group, 15 patients in each group. With the Functional Squat Systems (FSS), the subjects were measured isometric lower limb strength, reaction time and coordination. The maximum isometric extension strength standard value (MISS), the average isometric extension strength standard value (AISS), the overall average response time (OART), the average migration distance (AMD) were recorded. Results With the Pearson's correlation analysis, the age significantly correlated with all the other indexes (P75 years group. There was no significant difference between the 70-74 years group and >75 years group. Conclusion The lower limb neuromuscular function in elderly showed age-related significance.%目的 研究闭链动作下老年人下肢神经肌肉功能的年龄相关性.方法 45例符合人选条件的老年人分成60~69岁组、70~74岁组和≥75岁组,每组15例.应用功能性蹲屈测试系统(FSS)分别测试受试者下肢的等长肌力、反应时间和协调性.采集记录最大等长伸展肌力标准值、平均等长伸展肌力标准值、总体平均反应时间、平均偏移距离.结果 经Pearson相关分析,年龄与各项指标均有显著相关性(P<0.05~0.01);经组间方差分析,协调性在各组人群中均无显著性差异;最大肌力标准值和平均肌力标准值在60~69组均优于其他两组(P<0.05);60~69岁组的总体平均反应时间优于≥75岁组(P<0.05);70~74岁组与≥75岁组各项指标均无显著性差异(P>0.05).结论 老年人的下肢神经肌肉功能具有年龄相关性.

  4. Coordinated Exploration for Grand Challenges

    Ørding Olsen, Anders; Sofka, Wolfgang; Grimpe, Christoph


    on the acceptance and support of important stakeholders. In this study, we suggest that search consortia are more likely to receive funding when they include representatives of stakeholder concerns, so-called advocacy groups. We extend theory on coordinated exploration in joint search by integrating mechanisms from...

  5. Movement and Coordination

    ... Español Text Size Email Print Share Movement and Coordination Page Content Article Body At this age, your ... level will strengthen his body and develop his coordination. In the months ahead, your child’s running will ...

  6. Developmental coordination disorder

    ... page: // Developmental coordination disorder To use the sharing features on this page, please enable JavaScript. Developmental coordination disorder is a childhood disorder. It leads to ...

  7. Coordination and Cooperation

    Janssen, Maarten


    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can be rationalized on individualistic grounds. Finally, psychological game theory should consider how players perceive their gaming situation. ---------------------------------------------------------...

  8. Processing Coordination Ambiguity

    Engelhardt, Paul E.; Ferreira, Fernanda


    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based theories assume…

  9. Processing Coordination Ambiguity

    Engelhardt, Paul E.; Ferreira, Fernanda


    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based…

  10. Coordination and Cooperation

    M.C.W. Janssen (Maarten)


    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can

  11. Coordination and Cooperation

    M.C.W. Janssen (Maarten)


    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can

  12. Electron spin echo envelope modulation spectroscopy supports the suggested coordination of two histidine ligands to the Rieske Fe-S centers of the cytochrome b sub 6 f complex of spinach and the cytochrome bc sub 1 complexes of Rhodospirillum rubrum, Rhodobacter sphaeroides R-26, and bovine heart mitochondria

    Britt, R.D.; Sauer, K.; Klein, M.P. (Lawrence Berkeley Lab., CA (USA)); Knaff, D.B.; Kriauciunas, A. (Texas Tech Univ., Lubbock (USA)); Yu, Changan; Yu, Linda (Oklahoma State Univ., Stillwater (USA)); Malkin, R. (Univ. of California, Berkeley (USA))


    Electron spin echo envelope modulation (ESEEM) experiments performed on the Rieske Fe-S clusters of the cytochrome b{sub 6}f complex of spinach chloroplasts and of the cytochrome bc{sub 1} complexes of Rhodospirillum rubrum, Rhodobacter sphaeroides R-26, and bovine heart mitochondria show modulation components resulting from two distinct classes of {sup 14}N ligands. At the g = 1.92 region of the Rieske EPR spectrum of the cytochrome b{sub 6}f complex, the measured hyperfine couplings for the two classes of coupled nitrogens are A{sub 1} = 4.6 MHz and A{sub 2} = 3.8 MHz. Similar couplings are observed for the Rieske centers in the three cytochrome bc{sub 1} complexes. These ESEEM results indicate a nitrogen coordination environment for these Rieske Fe-S centers that is similar to that of the Fe-S cluster of a bacterial dioxygenase enzyme with two coordinated histidine ligands. The Rieske Fe-S cluster lacks modulation components from a weakly coupled peptide nitrogen observed in water-soluble spinach ferredoxin. Treatment with the quinone analogue inhibitor DBMIB causes a shift in the Rieske EPR spectrum to g = 1.95 with no alteration in the magnetic couplings to the two nitrogen atoms. However, the ESEEM pattern of the DBMIB-altered Rieske EPR signal shows evidence of an additional weakly coupled nitrogen similar to that observed in the spinach ferrodoxin ESEEM patterns.

  13. Impairments of social motor coordination in schizophrenia.

    Manuel Varlet

    Full Text Available It has been demonstrated that motor coordination of interacting people plays a crucial role in the success of social exchanges. Abnormal movements have been reported during interpersonal interactions of patients suffering from schizophrenia and a motor coordination breakdown could explain this social interaction deficit, which is one of the main and earliest features of the illness. Using the dynamical systems framework, the goal of the current study was (i to investigate whether social motor coordination is impaired in schizophrenia and (ii to determine the underlying perceptual or cognitive processes that may be affected. We examined intentional and unintentional social motor coordination in participants oscillating hand-held pendulums from the wrist. The control group consisted of twenty healthy participant pairs while the experimental group consisted of twenty participant pairs that included one participant suffering from schizophrenia. The results showed that unintentional social motor coordination was preserved while intentional social motor coordination was impaired. In intentional coordination, the schizophrenia group displayed coordination patterns that had lower stability and in which the patient never led the coordination. A coupled oscillator model suggests that the schizophrenia group coordination pattern was due to a decrease in the amount of available information together with a delay in information transmission. Our study thus identified relational motor signatures of schizophrenia and opens new perspectives for detecting the illness and improving social interactions of patients.

  14. Diazabutadienes as ligands.I. Compounds of aluminium: coordination of diazabutadienes to Al(CH3)3 and subsequent intramolecular insertion and rearrangement reactions leading to [(CH3)2Al(RNCH(CH3)C(R')=NR)] (R' = H, CH3) and (CH3)2AlRNCH2C(CH3) =NR

    Koten, G. van; Klerks, J.M.; Stufkens, D.J.; Vrieze, K.


    Reaction of R-N=CH-CH=N-R with [(CH{3}){3}Al]{2} affords the coordination product (CH{3}){3}AlRN=CH-CH=NR (A) for R = 2, 6-(CH{3}){2}C{6}H{3} and 2,4,6(CH{3}){3}C{6}H{2}. For R = 4 ClC{6}H{4}, 4-CH{3}C{6}H{4} and 4-CH{3}OC{6}H{4}, insertion takes place, giving the complexes (CH{3}){2}AlRN-CH(CH{3})-

  15. Efficient path sampling on multiple reaction channels

    van Erp, Titus S.


    Due to the time scale problem, rare events are not accessible by straight forward molecular dynamics. The presence of multiple reaction channels complicates the problem even further. The feasibility of the standard free energy based methods relies strongly on the success in finding a proper reaction coordinate. This can be very difficult task in high-dimensional complex systems and even more if several distinct reaction channels exist. Moreover, even if a proper reaction coordinate can be fou...

  16. Enhanced time overcurrent coordination

    Enriquez, Arturo Conde; Martinez, Ernesto Vazquez [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, Apdo. Postal 114-F, Ciudad Universitaria, CP 66450 San Nicolas de los Garza, Nuevo Leon (Mexico)


    In this paper, we recommend a new coordination system for time overcurrent relays. The purpose of the coordination process is to find a time element function that allows it to operate using a constant back-up time delay, for any fault current. In this article, we describe the implementation and coordination results of time overcurrent relays, fuses and reclosers. Experiments were carried out in a laboratory test situation using signals of a power electrical system physics simulator. (author)

  17. Characterizing traits of coordination

    Poss, R.


    How can one recognize coordination languages and technologies? As this report shows, the common approach that contrasts coordination with computation is intellectually unsound: depending on the selected understanding of the word "computation", it either captures too many or too few programming

  18. Coordination models and languages

    Papadopoulos, G.A.; Arbab, F.


    A new class of models, formalisms and mechanisms has recently evolved for describing concurrent and distributed computations based on the concept of ``coordination''. The purpose of a coordination model and associated language is to provide a means of integrating a number of possibly heterogeneous c

  19. Team coordination dynamics.

    Gorman, Jamie C; Amazeen, Polemnia G; Cooke, Nancy J


    Team coordination consists of both the dynamics of team member interaction and the environmental dynamics to which a team is subjected. Focusing on dynamics, an approach is developed that contrasts with traditional aggregate-static concepts of team coordination as characterized by the shared mental model approach. A team coordination order parameter was developed to capture momentary fluctuations in coordination. Team coordination was observed in three-person uninhabited air vehicle teams across two experimental sessions. The dynamics of the order parameter were observed under changes of a team familiarity control parameter. Team members returned for the second session to either the same (Intact) or different (Mixed) team. 'Roadblock' perturbations, or novel changes in the task environment, were introduced in order to probe the stability of team coordination. Nonlinear dynamic methods revealed differences that a traditional approach did not: Intact and Mixed team coordination dynamics looked very different; Mixed teams were more stable than Intact teams and explored the space of solutions without the need for correction. Stability was positively correlated with the number of roadblock perturbations that were overcome successfully. The novel and non-intuitive contribution of a dynamical analysis was that Mixed teams, who did not have a long history working together, were more adaptive. Team coordination dynamics carries new implications for traditional problems such as training adaptive teams.

  20. Coordinate measuring machines

    De Chiffre, Leonardo

    This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

  1. Social Postural Coordination

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.


    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and…

  2. Social Postural Coordination

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.


    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and…

  3. Mechanism and Experimental Observability of Global Switching Between Reactive and Nonreactive Coordinates at High Total Energies

    Teramoto, Hiroshi; Toda, Mikito; Takahashi, Masahiko; Kono, Hirohiko; Komatsuzaki, Tamiki


    We present a mechanism of global reaction coordinate switching, namely, a phenomenon in which the reaction coordinate dynamically switches to another coordinate as the total energy of the system increases. The mechanism is based on global changes in the underlying phase space geometry caused by a switching of dominant unstable modes from the original reactive mode to another nonreactive mode in systems with more than 2 degrees of freedom. We demonstrate an experimental observability to detect a reaction coordinate switching in an ionization reaction of a hydrogen atom in crossed electric and magnetic fields. For this reaction, the reaction coordinate is a coordinate along which electrons escape and its switching changes the escaping direction from the direction of the electric field to that of the magnetic field and, thus, the switching can be detected experimentally by measuring the angle-resolved momentum distribution of escaping electrons.

  4. Defining Service Coordination: A Social Work Perspective.

    Bunger, Alicia C


    To address fragmentation, social workers are encouraged to "coordinate." This pilot study explores the meaning of, and factors that facilitate or prevent "coordination" and is intended as a first step toward future conceptual refinement, theory development, and system interventions. Using data from treatment guidelines archived by the National Guideline Clearinghouse (n=9) and semi-structured interviews with social workers (n=4), themes related to the definition, indicators, and perceptions of coordination were explored using a grounded theory approach. Data suggest the need for coordination is driven by complex client needs, but the quality of providers' personal relationships influence coordination. Future research might examine the impact of standardization of roles, referral procedures, and treatment philosophies.

  5. Exraction and separation of CERIUM(IV/FLUORINE in fluoride-bearing cerium sulfate solution with fluoride coordination agent

    Y. Li


    Full Text Available In this paper the extraction and separation of cerium/fluorine in fluoride-bearing cerium sulfate solution with fluoride coordination agent has been studied. The UV-vis spectra suggest that Zr6+ and Al3+ can scrub the F- from [CeF2] 2+ complex. The separation and conductivity studies show that aluminum salt is the most suitable fluoride coordination agent, and an ion-exchange reaction is involved between Ce4+/ [CeF2] 2+ and hydrogen ion.

  6. Magnetic Coordinate Systems

    Laundal, K M


    Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the...

  7. Supercritical Airfoil Coordinates

    National Aeronautics and Space Administration — Rectangular Supercritical Wing (Ricketts) - design and measured locations are provided in an Excel file RSW_airfoil_coordinates_ricketts.xls . One sheet is with Non...

  8. Understanding social motor coordination.

    Schmidt, R C; Fitzpatrick, Paula; Caron, Robert; Mergeche, Joanna


    Recently there has been much interest in social coordination of motor movements, or as it is referred to by some researchers, joint action. This paper reviews the cognitive perspective's common coding/mirror neuron theory of joint action, describes some of its limitations and then presents the behavioral dynamics perspective as an alternative way of understanding social motor coordination. In particular, behavioral dynamics' ability to explain the temporal coordination of interacting individuals is detailed. Two experiments are then described that demonstrate how dynamical processes of synchronization are apparent in the coordination underlying everyday joint actions such as martial art exercises, hand-clapping games, and conversations. The import of this evidence is that emergent dynamic patterns such as synchronization are the behavioral order that any neural substrate supporting joint action (e.g., mirror systems) would have to sustain.

  9. Environmental Compliance Issue Coordination

    An order to establish the Department of Energy (DOE) requirements for coordination of significant environmental compliance issues to ensure timely development and consistent application of Departmental environmental policy and guidance

  10. [Coordination and donation].

    Elizalde, J; Lorente, M


    The progressive incorporation of organ transplants as a therapeutic resource resulted in organisational adaptation and overall transplant management, leading to the emergence of the figure of the transplant coordinator in the mid-1980s. In Spain, the National Organisation of Transplants (Organización Nacional de Transplantes - ONT) was created, establishing a system - called the "Spanish model" - based on a network of coordinators at three levels: national, the autonomous community and the hospital. This organisational structure is a point of reference at the world level. The prevalence of the Intensive Medicine specialisation amongst hospital transplant coordinators is remarkable. The majority of organs proceed from brain-dead patients with beating hearts and this requires the infrastructure offered by intensive care units. The functions of the coordinator can be summarised in guaranteeing a synchrony of all the elements and teams that come together in an organisational chain that has come to be called the "process of donation". Schematically, the crucial points that the hospital coordinator develops are the following: - Detection of the potential donor. - Maintenance of the donor. - Diagnosis of brain death. - Family consent. - Preparation of the hospital logistics. - Helping the relatives. - Direct involvement in the Program of Guarantee of Quality. - Person of reference in any activity related to the transplant. It would be desirable to achieve the creation of transplant coordination teams, with univocal messages, professionalism and a permanent input of the so-called "human factor", which is so necessary and also so close to the transplant world.

  11. Continuous parallel coordinates.

    Heinrich, Julian; Weiskopf, Daniel


    Typical scientific data is represented on a grid with appropriate interpolation or approximation schemes,defined on a continuous domain. The visualization of such data in parallel coordinates may reveal patterns latently contained in the data and thus can improve the understanding of multidimensional relations. In this paper, we adopt the concept of continuous scatterplots for the visualization of spatially continuous input data to derive a density model for parallel coordinates. Based on the point-line duality between scatterplots and parallel coordinates, we propose a mathematical model that maps density from a continuous scatterplot to parallel coordinates and present different algorithms for both numerical and analytical computation of the resulting density field. In addition, we show how the 2-D model can be used to successively construct continuous parallel coordinates with an arbitrary number of dimensions. Since continuous parallel coordinates interpolate data values within grid cells, a scalable and dense visualization is achieved, which will be demonstrated for typical multi-variate scientific data.

  12. Magnetic Coordinate Systems

    Laundal, K. M.; Richmond, A. D.


    Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the full IGRF into account and define magnetic latitude and longitude such that they are constant along field lines. These coordinate systems, which are useful at ionospheric altitudes, are non-orthogonal. We show how to handle vectors and vector calculus in such coordinates, and discuss how systematic errors may appear if this is not done correctly.

  13. Insights into water coordination associated with the Cu(II)/Cu(I) electron transfer at a biomimetic Cu centre.

    Porras Gutiérrez, Ana Gabriela; Zeitouny, Joceline; Gomila, Antoine; Douziech, Bénédicte; Cosquer, Nathalie; Conan, Françoise; Reinaud, Olivia; Hapiot, Philippe; Le Mest, Yves; Lagrost, Corinne; Le Poul, Nicolas


    The coordination properties of the biomimetic complex [Cu(TMPA)(H2O)](CF3SO3)2 (TMPA = tris(2-pyridylmethyl)amine) have been investigated by electrochemistry combined with UV-Vis and EPR spectroscopy in different non-coordinating media including imidazolium-based room-temperature ionic liquids, for different water contents. The solid-state X-ray diffraction analysis of the complex shows that the cupric centre lies in a N4O coordination environment with a nearly perfect trigonal bipyramidal geometry (TBP), the water ligand being axially coordinated to Cu(II). In solution, the coordination geometry of the complex remains TBP in all media. Neither the triflate ion nor the anions of the ionic liquids were found to coordinate the copper centre. Cyclic voltammetry in all media shows that the decoordination of the water molecule occurs upon monoelectronic reduction of the Cu(II) complex. Back-coordination of the water ligand at the cuprous state can be detected by increasing the water content and/or decreasing the timescale of the experiment. Numerical simulations of the voltammograms allow the determination of kinetics and thermodynamics for the water association-dissociation mechanism. The resulting data suggest that (i) the binding/unbinding of water at the Cu(I) redox state is relatively slow and equilibrated in all media, and (ii) the binding of water at Cu(I) is somewhat faster in the ionic liquids than in the non-coordinating solvents, while the decoordination process is weakly sensitive to the nature of the solvents. These results suggest that ionic liquids favour water exchange without interfering with the coordination sphere of the metal centre. This makes them promising media for studying host-guest reactions with biomimetic complexes.

  14. The Lanthanide Contraction beyond Coordination Chemistry.

    Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K; Olvera de la Cruz, Monica; Qiao, Baofu; Ellis, Ross J


    The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic liquid. The lanthanide contraction perturbs the weak interactions between molecular aggregates that drive mesoscale assembly and emergent behavior. The weak interactions correlate with lanthanide ion transport properties, suggesting new strategies for rare-earth separation that exploit forces outside of the coordination sphere.

  15. Deepening Sleep by Hypnotic Suggestion

    Cordi, Maren J.; Schlarb, Angelika A.; Rasch, Björn


    Study Objectives: Slow wave sleep (SWS) plays a critical role in body restoration and promotes brain plasticity; however, it markedly declines across the lifespan. Despite its importance, effective tools to increase SWS are rare. Here we tested whether a hypnotic suggestion to “sleep deeper” extends the amount of SWS. Design: Within-subject, placebo-controlled crossover design. Setting: Sleep laboratory at the University of Zurich, Switzerland. Participants: Seventy healthy females 23.27 ± 3.17 y. Intervention: Participants listened to an auditory text with hypnotic suggestions or a control tape before napping for 90 min while high-density electroencephalography was recorded. Measurements and Results: After participants listened to the hypnotic suggestion to “sleep deeper” subsequent SWS was increased by 81% and time spent awake was reduced by 67% (with the amount of SWS or wake in the control condition set to 100%). Other sleep stages remained unaffected. Additionally, slow wave activity was significantly enhanced after hypnotic suggestions. During the hypnotic tape, parietal theta power increases predicted the hypnosis-induced extension of SWS. Additional experiments confirmed that the beneficial effect of hypnotic suggestions on SWS was specific to the hypnotic suggestion and did not occur in low suggestible participants. Conclusions: Our results demonstrate the effectiveness of hypnotic suggestions to specifically increase the amount and duration of slow wave sleep (SWS) in a midday nap using objective measures of sleep in young, healthy, suggestible females. Hypnotic suggestions might be a successful tool with a lower risk of adverse side effects than pharmacological treatments to extend SWS also in clinical and elderly populations. Citation: Cordi MJ, Schlarb AA, Rasch B. Deepening sleep by hypnotic suggestion. SLEEP 2014;37(6):1143-1152. PMID:24882909

  16. Mechanism of the reaction of the [W3S4H3(dmpe)3]+ cluster with acids: evidence for the acid-promoted substitution of coordinated hydrides and the effect of the attacking species on the kinetics of protonation of the metal-hydride bonds.

    Basallote, Manuel G; Feliz, Marta; Fernández-Trujillo, M Jesús; Llusar, Rosa; Safont, Vicent S; Uriel, Santiago


    The cluster [W(3)S(4)H(3)(dmpe)(3)](+) (1) (dmpe=1,2-bis(dimethylphosphino)ethane) reacts with HX (X=Cl, Br) to form the corresponding [W(3)S(4)X(3)(dmpe)(3)](+) (2) complexes, but no reaction is observed when 1 is treated with an excess of halide salts. Kinetic studies indicate that the hydride 1 reacts with HX in MeCN and MeCN-H(2)O mixtures to form 2 in three kinetically distinguishable steps. In the initial step, the W-H bonds are attacked by the acid to form an unstable dihydrogen species that releases H(2) and yields a coordinatively unsaturated intermediate. This intermediate adds a solvent molecule (second step) and then replaces the coordinated solvent with X(-) (third step). The kinetic results show that the first step is faster with HCl than with solvated H(+). This indicates that the rate of protonation of this metal hydride is determined not only by reorganization of the electron density at the M-H bonds but also by breakage of the H-X or H(+)-solvent bonds. It also indicates that the latter process can be more important in determining the rate of protonation.

  17. Zinc coordination spheres in protein structures.

    Laitaoja, Mikko; Valjakka, Jarkko; Jänis, Janne


    Zinc metalloproteins are one of the most abundant and structurally diverse proteins in nature. In these proteins, the Zn(II) ion possesses a multifunctional role as it stabilizes the fold of small zinc fingers, catalyzes essential reactions in enzymes of all six classes, or assists in the formation of biological oligomers. Previously, a number of database surveys have been conducted on zinc proteins to gain broader insights into their rich coordination chemistry. However, many of these surveys suffer from severe flaws and misinterpretations or are otherwise limited. To provide a more comprehensive, up-to-date picture on zinc coordination environments in proteins, zinc containing protein structures deposited in the Protein Data Bank (PDB) were analyzed in detail. A statistical analysis in terms of zinc coordinating amino acids, metal-to-ligand bond lengths, coordination number, and structural classification was performed, revealing coordination spheres from classical tetrahedral cysteine/histidine binding sites to more complex binuclear sites with carboxylated lysine residues. According to the results, coordination spheres of hundreds of crystal structures in the PDB could be misinterpreted due to symmetry-related molecules or missing electron densities for ligands. The analysis also revealed increasing average metal-to-ligand bond length as a function of crystallographic resolution, which should be taken into account when interrogating metal ion binding sites. Moreover, one-third of the zinc ions present in crystal structures are artifacts, merely aiding crystal formation and packing with no biological significance. Our analysis provides solid evidence that a minimal stable zinc coordination sphere is made up by four ligands and adopts a tetrahedral coordination geometry.

  18. Inorganic Reaction Mechanisms Part II: Homogeneous Catalysis

    Cooke, D. O.


    Suggests several mechanisms for catalysis by metal ion complexes. Discusses the principal factors of importance in these catalysis reactions and suggests reactions suitable for laboratory study. (MLH)

  19. Influence of an exhausting muscle exercise on bimanual coordination stability and attentional demands.

    Murian, Alexandre; Deschamps, Thibault; Bourbousson, Jérôme; Temprado, Jean Jacques


    The present study investigated the influence of a bilateral exhaustive exercise on the stability of bimanual anti-phase coordination pattern and attentional demands. Eight subjects performed the anti-phase coordination pattern in two sessions: an Exhausting Session and a Control Session. During the Exhausting Session, subjects performed the bimanual coordination after exhaustion of forearms muscles (i.e. endurance time test). For the Control Session, no endurance time test was previously designed before the performance of anti-phase coordination. Within these experimental sessions, two levels of load (loaded and unload) and two frequencies (1.75 and 2.25 Hz) were also manipulated during the bimanual task. Attentional demands associated with performing the anti-phase coordination pattern was measured via a probe reaction time task (RT). The results showed that relative phase variability was higher for the fastest frequency after the exhaustive exercise. Moreover, as a result of the previous muscle exercise, the observed phase coupling was less accurate. No significant effect was found concerning the attentional demands as assessed through RT. The present findings suggest that the muscle exhaustion affects bimanual performance at a more peripheral level.

  20. Ruthenium(II) coordination chemistry of a fused donor-acceptor ligand: synthesis, characterization, and photoinduced electron-transfer reactions of [{Ru(bpy)2}(n)(TTF-ppb)](PF6)(2n) (n = 1, 2).

    Goze, Christine; Dupont, Nathalie; Beitler, Elvira; Leiggener, Claudia; Jia, Hongpeng; Monbaron, Philippe; Liu, Shi-Xia; Neels, Antonia; Hauser, Andreas; Decurtins, Silvio


    A pi-extended, redox-active bridging ligand 4',5'-bis(propylthio)tetrathiafulvenyl[i]dipyrido[2,3-a:3',2'-c]phenazine (L) was prepared via direct Schiff-base condensation of the corresponding diamine-tetrathiafulvalene (TTF) precursor with 4,7-phenanthroline-5,6-dione. Reactions of L with [Ru(bpy)(2)Cl(2)] afforded its stable mono- and dinuclear ruthenium(II) complexes 1 and 2. They have been fully characterized, and their photophysical and electrochemical properties are reported together with those of [Ru(bpy)(2)(ppb)](2+) and [Ru(bpy)(2)(mu-ppb)Ru(bpy)(2)](4+) (ppb = dipyrido[2,3-a:3',2'-c]phenazine) for comparison. In all cases, the first excited state corresponds to an intramolecular TTF --> ppb charge-transfer state. Both ruthenium(II) complexes show two strong and well-separated metal-to-ligand charge-transfer (MLCT) absorption bands, whereas the (3)MLCT luminescence is strongly quenched via electron transfer from the TTF subunit. Clearly, the transient absorption spectra illustrate the role of the TTF fragment as an electron donor, which induces a triplet intraligand charge-transfer state ((3)ILCT) with lifetimes of approximately 200 and 50 ns for mono- and dinuclear ruthenium(II) complexes, respectively.

  1. Cobalt(II) and Cobalt(III) Coordination Compounds.

    Thomas, Nicholas C.; And Others


    Presents a laboratory experiment which illustrates the formation of tris(phenanthroline)cobalt complexes in the 2+ and 3+ oxidation states, the effect of coordination on reactions of the ligand, and the use of a ligand displacement reaction in recovering the transformed ligand. Uses IR, UV-VIS, conductivity, and NMR. (MVL)

  2. Coordinating Interactions: The Event Coordination Notation

    Kindler, Ekkart

    on a much more technical level. The Event Coordination Notation (ECNO) allows modelling the behaviour of an application on a high level of abstraction that is closer to the application’s domain than to the software realizing it. Still, these models contain all necessary details for actually executing...... implementation of ECNO, which consists of a modelling environment based on Eclipse and the Eclipse Modeling Framework (EMF) and an execution engine, which fully supports all the concepts and features of ECNO discussed in this technical report. All the examples are based on EMF, but the ECNO Engine can be used......The purpose of a domain model is to concisely capture the concepts of an application’s domain, and their relation among each other. Even though the main purpose of domain models is not on implementing the application, major parts of an application can be generated from the application’s domain...

  3. Linking homogeneous and heterogeneous enantioselective catalysis through a self-assembled coordination polymer.

    García, José I; López-Sánchez, Beatriz; Mayoral, José A


    Combining the advantages of homogeneous and heterogeneous enantioselective catalysis is possible through self-supported copper coordination polymers, based on a new kind of ditopic chiral ligand bearing two azabis(oxazoline) moieties. When the coordination polymer is used to catalyze a cyclopropanation reaction, it becomes soluble in reaction conditions but precipitates after reaction completion, allowing easy recovery and efficient reuse in the same reaction up to 14 times.

  4. Quantifying linguistic coordination

    Fusaroli, Riccardo; Tylén, Kristian

    ). We employ nominal recurrence analysis (Orsucci et al 2005, Dale et al 2011) on the decision-making conversations between the participants. We report strong correlations between various indexes of recurrence and collective performance. We argue this method allows us to quantify the qualities......Language has been defined as a social coordination device (Clark 1996) enabling innovative modalities of joint action. However, the exact coordinative dynamics over time and their effects are still insufficiently investigated and quantified. Relying on the data produced in a collective decision...

  5. Introduction to Coordination Chemistry

    Lawrance, Geoffrey Alan


    Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.

  6. Coordinate Standard Measurement Development

    Hanshaw, R.A.


    A Shelton Precision Interferometer Base, which is used for calibration of coordinate standards, was improved through hardware replacement, software geometry error correction, and reduction of vibration effects. Substantial increases in resolution and reliability, as well as reduction in sampling time, were achieved through hardware replacement; vibration effects were reduced substantially through modification of the machine component dampening and software routines; and the majority of the machine's geometry error was corrected through software geometry error correction. Because of these modifications, the uncertainty of coordinate standards calibrated on this device has been reduced dramatically.

  7. Topochemical control in desolvation of coordination polymers

    Matteo Lusi


    Reactions in the solid state are at the core of crystal engineering as they can result in new crystalline phases that are not always accessible by traditional solution methods. The work of Brammer and co-workers [Wright et al. (2015), IUCrJ, 2, 188–197] represents a clear example of this potential as applied to the synthesis of a silver–phenazine coordination polymer.

  8. [Suggestion and hypnosis in hysteria].

    Berner, P


    Suggestive influences allow to resolve ambiguities. Normally they are only accepted if they correspond with the knowledge and believes of the subject. Under hypnosis or under the impact of serious psychic perturbations one may take up reality constructions which are not in conformity with these criteria. The restriction of consciousness and the ignoring of certain functions permitting this are the common basis of hypnosis and hysteria. But suggestions do not cause the later; they may only shape the symptomatology. Hypnosis can create a terrain facilitating the resolution of the problems underlying hysteria but it does not represent the treatment of hysteria.

  9. Language as a coordination tool evolves slowly


    Social living ultimately depends on coordination between group members, and communication is necessary to make this possible. We suggest that this might have been the key selection pressure acting on the evolution of language in humans and use a behavioural coordination model to explore the impact of communication efficiency on social group coordination. We show that when language production is expensive but there is an individual benefit to the efficiency with which individuals coordinate their behaviour, the evolution of efficient communication is selected for. Contrary to some views of language evolution, the speed of evolution is necessarily slow because there is no advantage in some individuals evolving communication abilities that much exceed those of the community at large. However, once a threshold competence has been achieved, evolution of higher order language skills may indeed be precipitate. PMID:28083091

  10. Hybrid Optimized and Localized Vibrational Coordinates.

    Klinting, Emil Lund; König, Carolin; Christiansen, Ove


    We present a new type of vibrational coordinates denoted hybrid optimized and localized coordinates (HOLCs) aiming at a good set of rectilinear vibrational coordinates supporting fast convergence in vibrational stucture calculations. The HOLCs are obtained as a compromise between the recently promoted optimized coordinates (OCs) and localized coordinates (LCs). The three sets of coordinates are generally different from each other and differ from standard normal coordinates (NCs) as well. In determining the HOLCs, we optimize the vibrational self-consistent field (VSCF) energy with respect to orthogonal transformation of the coordinates, which is similar to determining OCs but for HOLCs we additionally introduce a penalty for delocalization, by using a measure of localization similar to that employed in determining LCs. The same theory and implementation covers OCs, LCs, and HOLCs. It is shown that varying one penalty parameter allows for connecting OCs and LCs. The HOLCs are compared to NCs, OCs, and LCs in their nature and performance as basis for vibrational coupled cluster (VCC) response calculations of vibrational anharmonic energies for a small set of simple systems comprising water, formaldehyde, and ethylene. It is found that surprisingly good results can be obtained with HOLCs by using potential energy surfaces as simple as quadratic Taylor expansions. Quite similar coordinates are found for the already established OCs but obtaining these OCs requires much more elaborate and expensive potential energy surfaces and localization is generally not guaranteed. The ability to compute HOLCs for somewhat larger systems is demonstrated for coumarin and the alanine quadramer. The good agreement between HOLCs and OCs, together with the much easier applicability of HOLCs for larger systems, suggests that HOLCs may be a pragmatically very interesting option for anharmonic calculations on medium to large molecular systems.

  11. Coordination failure caused by sunspots

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose


    In a coordination game with Pareto-ranked equilibria, we study whether a sunspot can lead to either coordination on an inferior equilibrium (mis-coordination) or to out-of equilibrium behavior (dis-coordination). While much of the literature searches for mechanisms to attain coordination...... on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

  12. Coordinating Work with Groupware

    Pors, Jens Kaaber; Simonsen, Jesper


    One important goal of employing groupware is to make possible complex collaboration between geographically distributed groups. This requires a dual transformation of both technology and work practice. The challenge is to re­duce the complexity of the coordination work by successfully inte­grating...

  13. Rockin' Readers Coordinator Handbook.

    Alachua County Schools, Gainesville, FL.

    This coordinator's handbook describes the "Rockin' Readers" program, in which senior-citizen volunteers are matched with specifically targeted at-risk children (usually of kindergarten age or slightly older) in Alachua County, Florida, who tested below their peer group in language development and reading readiness skills. The handbook…

  14. Explicit Spin Coordinates

    Hunter, G; Hunter, Geoffrey; Schlifer, Ian


    The recently established existence of spherical harmonic functions, $Y_\\ell^{m}(\\theta,\\phi)$ for half-odd-integer values of $\\ell$ and $m$, allows for the introduction into quantum chemistry of explicit electron spin-coordinates; i.e. spherical polar angles $\\theta_s, \\phi_s$, that specify the orientation of the spin angular momentum vector in space. In this coordinate representation the spin angular momentum operators, $S^2, S_z$, are represented by the usual differential operators in spherical polar coordinates (commonly used for $L^2, L_z$), and their electron-spin eigenfunctions are $\\sqrt{\\sin\\theta_s} \\exp(\\pm\\phi_s/2)$. This eigenfunction representation has the pedagogical advantage over the abstract spin eigenfunctions, $\\alpha, \\beta,$ that ``integration over spin coordinates'' is a true integration (over the angles $\\theta_s, \\phi_s$). In addition they facilitate construction of many electron wavefunctions in which the electron spins are neither parallel nor antiparallel, but inclined at an interme...

  15. Equilibria with Coordination Failures

    Herings, P.J.J.; van der Laan, G.; Talman, A.J.J.


    This paper extends the recent literature on equilibria with coordination failures to arbitrary convex sets of admissible prices.We introduce a new equilibrium concept, called quantity constrained equilibrium (QCE), giving a uni.ed treatment to all cases considered in the literature so far.At a QCE

  16. Block coordination copolymers

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R


    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  17. Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand

    McGinley, John; McKee, Vickie; Toftlund, Hans


    The simple ligand N-(2-aminoethyl)-2-hydroxy-5-nitrobenzamide () exhibits several coordination modes depending on the reaction conditions, acting as a zwitterion on its own or being ionic in the presence of acid and depending on the concentration of metal present in a reaction, it can coordinate ...

  18. Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories.

    Zhang, Jun; Yang, Y Isaac; Yang, Lijiang; Gao, Yi Qin


    High potential energy barriers and engagement of solvent coordinates set challenges for in silico studies of chemical reactions, and one is quite commonly limited to study reactions along predefined reaction coordinate(s). A systematic protocol, QM/MM MD simulations using enhanced sampling of reactive trajectories (ESoRT), is established to quantitatively study chemical transitions in complex systems. A number of trajectories for Claisen rearrangement in water and toluene were collected and analyzed, respectively. Evidence was found that the bond making and breaking during this reaction are concerted processes in solutions, preferentially through a chairlike configuration. Water plays an important dynamic role that helps stabilize the transition sate, and the dipole-dipole interaction between water and the solute also lowers the transition barrier. The calculated rate coefficient is consistent with the experimental measurement. Compared with water, the reaction pathway in toluene is "narrower" and the reaction rate is slower by almost three orders of magnitude due to the absence of proper interactions to stabilize the transition state. This study suggests that the "in-water" nature of the Claisen rearrangement in aqueous solution influences its thermodynamics, kinetics, as well as dynamics.

  19. A Highly Reactive Seven-Coordinate Osmium(V) Oxo Complex: [Os(V)(O)(qpy)(pic)Cl](2+).

    Liu, Yingying; Ng, Siu-Mui; Lam, William W Y; Yiu, Shek-Man; Lau, Tai-Chu


    Seven-coordinate ruthenium oxo species have been proposed as active intermediates in catalytic water oxidation by a number of highly active ruthenium catalysts, however such species have yet to be isolated. Reported herein is the first example of a seven-coordinate group 8 metal-oxo species, [Os(V)(O)(qpy)(pic)Cl](2+) (qpy = 2,2':6',2'':6'',2'''-quaterpyridine, pic = 4-picoline). The X-ray crystal structure of this complex shows that it has a distorted pentagonal bipyramidal geometry with an Os=O distance of 1.7375 Å. This oxo species undergoes facile O-atom and H-atom-transfer reactions with various organic substrates. Notably it can abstract H atoms from alkylaromatics with C-H bond dissociation energy as high as 90 kcal mol(-1). This work suggests that highly active oxidants may be designed based on group 8 seven-coordinate metal oxo species.

  20. Navy-NGO Coordination for Health-Related HCA Missions: A Suggested Planning Framework


    Macrae and Adele Harmer (eds.). Humanitarian Action and the "Global War on Terror": A Revierv of Trends and Issues, 2003 (Overseas Development...Disaster and Humanitarian Assistance Medicine PowerPoint presentation) [28] Victoria Wheeler and Adele Harmer . Resetting the Rules of Engagement

  1. Suggestions on photons and fermions

    Alvargonzalez, R


    In this paper we suggest a configuration of photons consistent with a spin $\\hbar$, and a configuration of the fermions coherent with a spin $\\hbar/2$. These suggested configurations open the way to further analyses which lead to the following conclusions: - There cannot exist elementary particles of spin $\\hbar/2$ with a mass inferior to $1m_e$ or with a radius greater than $1l_e$. - The electrostatic force derives from the centrifugal forces inherent to the spin and are propagated by photons. - The derivation of the electrostatic force explains the existence of positive and negative charges and Coulomb's law. - The enormous differences between the centrifugal forces and the centripetal forces at the surface of the protons give rise to quantic fluctuations of space which generate the energy flows necessary for equilibrium. These energy flows can explain gravitation and the strong force. - The mass of the proton, $m_p$, and the mass of the neutron, $m_n$, must each have a concrete value required for the cohes...

  2. Modeling the Coordinated Operation between Bus Rapid Transit and Bus

    Jiaqing Wu


    Full Text Available The coordination between bus rapid transit (BRT and feeder bus service is helpful in improving the operational efficiency and service level of urban public transport system. Therefore, a coordinated operation model of BRT and bus is intended to develop in this paper. The total costs are formulated and optimized by genetic algorithm. Moreover, the skip-stop BRT operation is considered when building the coordinated operation model. A case of the existing bus network in Beijing is studied, the proposed coordinated operation model of BRT and bus is applied, and the optimized headway and costs are obtained. The results show that the coordinated operation model could effectively decrease the total costs of the transit system and the transfer time of passengers. The results also suggest that the coordination between the skip-stop BRT and bus during peak hour is more effective than non-coordination operation.

  3. Global Coordinate System


    Time in hours at Oh UT is GAST (hours) = GMST + E (41) GAST in radians is GASTo (radians) = GAST (hours) L (42) The angle e required for transforming...inertial coordinates to ECEF is- 6(radians) GASTo + 6.3003880.99 (ti - th) (43) o ~ooUT Mod ( E 27) where St.i - tohLjT = (JD -2.4 106). (JDOE -2.4 x

  4. International Monetary Policy Coordination

    Carlberg, Michael


    This paper studies the international coordination of monetary policies in the world economy. It carefully discusses the process of policy competition and the structure of policy cooperation. As to policy competition, the focus is on monetary competition between Europe and America. Similarly, as to policy cooperation, the focus is on monetary cooperation between Europe and America. The spillover effects of monetary policy are negative. The policy targets are price stability and full employment.

  5. Syntheses,Structure and Oxidation Reaction of Two 1D Copper(Ⅱ)Coordination Polymers with H2O2%两个一维铜配位聚合物的合成、晶体结构及其与双氧水的氧化反应

    陈志明; 倪天军; 宫腾; 赵永梅; 朱守荣


    Two 1D copper coordination polymers,{[Cu2L(4,4′-bipy)(H2O)2]·2.5H2O}n(1)and {[Cu2L(mbix)(H2O)2]·3H2O}n(2)(H4L=N,N,N′,N′-m-xylylenediamine tetracetic acid,mbix=m-bis(imidazol-1-ylmethyl)benzene)have been synthesized for the continuance of our research work on the coordination frameworks and oxidation reaction of copper(Ⅱ)complexes with ligand L4-.Compound 1 crystallizes in monoclinic system with space group P21/c and compound 2 crystallizes in space group P(1)with triclinic system,and they both form a 1D zigig-like chain.Interchain hydrogen-bonding interactions further extend the 1D arrangement to generate a 3D supramolecular architecture for 1 and 2.UV-Vis spectra shows that compound 1 and 2 both can hydroxylate the xylyl linker in the supporting ligand L4-in spite of chemical degradation of the two compounds by reaction with H2O2.CCDC:888051,1; 888052,2.%本文利用柔性的N,N,N′,N′-间-二甲苯二胺四乙酸(H4L)及不同的氮杂环配体如刚性的4-4′-联吡啶(4,4′-bipy)及柔性的间-二(咪唑-1-亚甲基)苯(mbix)构筑了2个新的一维铜配位聚合物{[Cu2L(4,4 ′-bipy)(H2O)2]·2.5H2O}n(1)和{[Cu2L(mbix)(H2O)2]·3H2O}n(2),并对其进行了元素分析、红外光谱和X-ray单晶衍射表征.另外利用紫外-可见光谱的方法对2个化合物与H2O2的氧化反应进行了研究,结果表明虽然化合物1和2在高浓度的H2O2条件下均发生了分子断裂,但仍能使配体L4-中二甲苯基联接体C2位置发生羟基化.

  6. Global coordination: weighted voting

    Jan-Erik Lane


    Full Text Available In order to halt the depletion of global ecological capital, a number of different kinds of meetings between Governments of countries in the world has been scheduled. The need for global coordination of environmental policies has become ever more obvious, supported by more and more evidence of the running down of ecological capital. But there are no formal or binding arrangements in sight, as global environmental coordination suffers from high transaction costs (qualitative voting. The CO2 equivalent emissions, resulting in global warming, are driven by the unstoppable economic expansion in the global market economy, employing mainly fossil fuel generated energy, although at the same time lifting sharply the GDP per capita of several emerging countries. Only global environmental coordination on the successful model of the World Band and the IMF (quantitative voting can stem the rising emissions numbers and stop further environmental degradation. However, the system of weighted voting in the WB and the IMF must be reformed by reducing the excessive voting power disparities, for instance by reducing all member country votes by the cube root expression.

  7. Universal mechatronics coordinator

    Muir, Patrick F.


    Mechatronic systems incorporate multiple actuators and sensor which must be properly coordinated to achieve the desired system functionality. Many mechatronic systems are designed as one-of-a-kind custom projects without consideration for facilitating future system or alterations and extensions to the current syste. Thus, subsequent changes to the system are slow, different, and costly. It has become apparent that manufacturing processes, and thus the mechatronics which embody them, need to be agile in order to more quickly and easily respond to changing customer demands or market pressures. To achieve agility, both the hardware and software of the system need to be designed such that the creation of new system and the alteration and extension of current system is fast and easy. This paper describes the design of a Universal Mechatronics Coordinator (UMC) which facilitates agile setup and changeover of coordination software for mechatronic systems. The UMC is capable of sequencing continuous and discrete actions that are programmed as stimulus-response pairs, as state machines, or a combination of the two. It facilitates the modular, reusable programing of continuous actions such as servo control algorithms, data collection code, and safety checking routines; and discrete actions such as reporting achieved states, and turning on/off binary devices. The UMC has been applied to the control of a z- theta assembly robot for the Minifactory project and is applicable to a spectrum of widely differing mechatronic systems.

  8. Improving Project Manufacturing Coordination

    Korpivaara Ville


    Full Text Available The objective of this research is to develop firms’ project manufacturing coordination. The development will be made by centralizing the manufacturing information flows in one system. To be able to centralize information, a deep user need assessment is required. After user needs have been identified, the existing system will be developed to match these needs. The theoretical background is achieved through exploring the literature of project manufacturing, development project success factors and different frameworks and tools for development project execution. The focus of this research is rather in customer need assessment than in system’s technical expertise. To ensure the deep understanding of customer needs this study is executed by action research method. As a result of this research the information system for project manufacturing coordination was developed to respond revealed needs of the stakeholders. The new system improves the quality of the manufacturing information, eliminates waste in manufacturing coordination processes and offers a better visibility to the project manufacturing. Hence it provides a solid base for the further development of project manufacturing.

  9. Pattern Genes Suggest Functional Connectivity of Organs

    Qin, Yangmei; Pan, Jianbo; Cai, Meichun; Yao, Lixia; Ji, Zhiliang


    Human organ, as the basic structural and functional unit in human body, is made of a large community of different cell types that organically bound together. Each organ usually exerts highly specified physiological function; while several related organs work smartly together to perform complicated body functions. In this study, we present a computational effort to understand the roles of genes in building functional connection between organs. More specifically, we mined multiple transcriptome datasets sampled from 36 human organs and tissues, and quantitatively identified 3,149 genes whose expressions showed consensus modularly patterns: specific to one organ/tissue, selectively expressed in several functionally related tissues and ubiquitously expressed. These pattern genes imply intrinsic connections between organs. According to the expression abundance of the 766 selective genes, we consistently cluster the 36 human organs/tissues into seven functional groups: adipose & gland, brain, muscle, immune, metabolism, mucoid and nerve conduction. The organs and tissues in each group either work together to form organ systems or coordinate to perform particular body functions. The particular roles of specific genes and selective genes suggest that they could not only be used to mechanistically explore organ functions, but also be designed for selective biomarkers and therapeutic targets.

  10. Adsorption Kinetics in Nanoscale Porous Coordination Polymers

    Nune, Satish K.; Thallapally, Praveen K.; McGrail, Benard Peter; Annapureddy, Harsha V. R.; Dang, Liem X.; Mei, Donghai; Karri, Naveen; Alvine, Kyle J.; Olszta, Matthew J.; Arey, Bruce W.; Dohnalkova, Alice


    Nanoscale porous coordination polymers were synthesized using simple wet chemical method. The effect of various polymer surfactants on colloidal stability and shape selectivity was investigated. Our results suggest that the nanoparticles exhibited significantly improved adsorption kinetics compared to bulk crystals due to decreased diffusion path lengths and preferred crystal plane interaction.

  11. Symmetric two-coordinate photodiode

    Dobrovolskiy Yu. G.


    Full Text Available The two-coordinate photodiode is developed and explored on the longitudinal photoeffect, which allows to get the coordinate descriptions symmetric on the steepness and longitudinal resistance great exactness. It was shown, that the best type of the coordinate description is observed in the case of scanning by the optical probe on the central part of the photosensitive element. The ways of improvement of steepness and linear of its coordinate description were analyzed.

  12. Invariant Manifolds and Collective Coordinates

    Papenbrock, T


    We introduce suitable coordinate systems for interacting many-body systems with invariant manifolds. These are Cartesian in coordinate and momentum space and chosen such that several components are identically zero for motion on the invariant manifold. In this sense these coordinates are collective. We make a connection to Zickendraht's collective coordinates and present certain configurations of few-body systems where rotations and vibrations decouple from single-particle motion. These configurations do not depend on details of the interaction.

  13. Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis

    Plapp, Bryce V.; Savarimuthu, Baskar Raj; Ferraro, Daniel J.; Rubach, Jon K.; Brown, Eric N.; Ramaswamy, S. (Iowa)


    During catalysis by liver alcohol dehydrogenase (ADH), a water bound to the catalytic zinc is replaced by the oxygen of the substrates. The mechanism might involve a pentacoordinated zinc or a double-displacement reaction with participation by a nearby glutamate residue, as suggested by studies of human ADH3, yeast ADH1, and some other tetrameric ADHs. Zinc coordination and participation of water in the enzyme mechanism were investigated by X-ray crystallography. The apoenzyme and its complex with adenosine 5'-diphosphoribose have an open protein conformation with the catalytic zinc in one position, tetracoordinated by Cys-46, His-67, Cys-174, and a water molecule. The bidentate chelators 2,2'-bipyridine and 1,10-phenanthroline displace the water and form a pentacoordinated zinc. The enzyme–NADH complex has a closed conformation similar to that of ternary complexes with coenzyme and substrate analogues; the coordination of the catalytic zinc is similar to that found in the apoenzyme, except that a minor, alternative position for the catalytic zinc is ~1.3 Å from the major position and closer to Glu-68, which could form the alternative coordination to the catalytic zinc. Complexes with NADH and N-1-methylhexylformamide or N-benzylformamide (or with NAD+ and fluoro alcohols) have the classical tetracoordinated zinc, and no water is bound to the zinc or the nicotinamide rings. The major forms of the enzyme in the mechanism have a tetracoordinated zinc, where the carboxylate group of Glu-68 could participate in the exchange of water and substrates on the zinc. Hydride transfer in the Michaelis complexes does not involve a nearby water.

  14. Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis.

    Plapp, Bryce V; Savarimuthu, Baskar Raj; Ferraro, Daniel J; Rubach, Jon K; Brown, Eric N; Ramaswamy, S


    During catalysis by liver alcohol dehydrogenase (ADH), a water bound to the catalytic zinc is replaced by the oxygen of the substrates. The mechanism might involve a pentacoordinated zinc or a double-displacement reaction with participation by a nearby glutamate residue, as suggested by studies of human ADH3, yeast ADH1, and some other tetrameric ADHs. Zinc coordination and participation of water in the enzyme mechanism were investigated by X-ray crystallography. The apoenzyme and its complex with adenosine 5'-diphosphoribose have an open protein conformation with the catalytic zinc in one position, tetracoordinated by Cys-46, His-67, Cys-174, and a water molecule. The bidentate chelators 2,2'-bipyridine and 1,10-phenanthroline displace the water and form a pentacoordinated zinc. The enzyme-NADH complex has a closed conformation similar to that of ternary complexes with coenzyme and substrate analogues; the coordination of the catalytic zinc is similar to that found in the apoenzyme, except that a minor, alternative position for the catalytic zinc is ∼1.3 Å from the major position and closer to Glu-68, which could form the alternative coordination to the catalytic zinc. Complexes with NADH and N-1-methylhexylformamide or N-benzylformamide (or with NAD(+) and fluoro alcohols) have the classical tetracoordinated zinc, and no water is bound to the zinc or the nicotinamide rings. The major forms of the enzyme in the mechanism have a tetracoordinated zinc, where the carboxylate group of Glu-68 could participate in the exchange of water and substrates on the zinc. Hydride transfer in the Michaelis complexes does not involve a nearby water.

  15. Coordination Processes in International Organisations

    Nedergaard, Peter


    to coordinate relatively elaborate agreements due to the strength of its coordination as far as professional or technical and political activities (excepting the ILO budget) are concerned. In other more clear-cut or 'simple' policy areas such as the ILO budget, the EU coordination is weak: this contrast...

  16. Coordination functionalization of graphene oxide with tetraazamacrocyclic complexes of nickel(II): Generation of paramagnetic centers

    Basiuk, Vladimir A., E-mail: [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Alzate-Carvajal, Natalia [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Henao-Holguín, Laura V. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Rybak-Akimova, Elena V. [Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Basiuk, Elena V., E-mail: [Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico)


    Highlights: • [Ni(cyclam)]{sup 2+} and [Ni(tet b)]{sup 2+} cations coordinate to carboxylic groups of GO. • The coordination takes place under basic conditions in aqueous-based medium. • The coordination results in the conversion from low-spin to high-spin Ni(II). • Functionalized GO samples were characterized by various instrumental techniques. - Abstract: We describe a novel approach to functionalization of graphene oxide (GO) which allows for a facile generation of paramagnetic centers from two diamagnetic components. Coordination attachment of [Ni(cyclam)]{sup 2+} or [Ni(tet b)]{sup 2+} tetraazamacrocyclic cations to carboxylic groups of GO takes place under basic conditions in aqueous-based reaction medium. The procedure is very straightforward and does not require high temperatures or other harsh conditions. Changing the coordination geometry of Ni(II) from square-planar tetracoordinated to pseudooctahedral hexacoordinated brings about the conversion from low-spin to high-spin state of the metal centers. Even though the content of tetraazamacrocyclic complexes in functionalized GO samples was found to be relatively low (nickel content of ca. 1 wt%, as determined by thermogravimetric analysis, elemental analysis and energy dispersive X-ray spectroscopy), room temperature magnetic susceptibility measurements easily detected the appearance of paramagnetic properties in GO + [Ni(cyclam)] and GO + [Ni(tet b)] nanohybrids, with effective magnetic moments of 1.95 BM and 2.2 BM for, respectively. According to density functional theory calculations, the main spin density is localized at the macrocyclic complexes, without considerable extension to graphene sheet, which suggests insignificant ferromagnetic coupling in the nanohybrids, in agreement with the results of magnetic susceptibility measurements. The coordination attachment of Ni(II) tetraazamacrocycles to GO results in considerable changes in Fourier-transform infrared and X-ray photoelectron spectra

  17. Orbital Energy-Based Reaction Analysis of SN2 Reactions

    Takao Tsuneda


    Full Text Available An orbital energy-based reaction analysis theory is presented as an extension of the orbital-based conceptual density functional theory. In the orbital energy-based theory, the orbitals contributing to reactions are interpreted to be valence orbitals giving the largest orbital energy variation from reactants to products. Reactions are taken to be electron transfer-driven when they provide small variations for the gaps between the contributing occupied and unoccupied orbital energies on the intrinsic reaction coordinates in the initial processes. The orbital energy-based theory is then applied to the calculations of several S N2 reactions. Using a reaction path search method, the Cl− + CH3I → ClCH3 + I− reaction, for which another reaction path called “roundabout path” is proposed, is found to have a precursor process similar to the roundabout path just before this SN2 reaction process. The orbital energy-based theory indicates that this precursor process is obviously driven by structural change, while the successor SN2 reaction proceeds through electron transfer between the contributing orbitals. Comparing the calculated results of the SN2 reactions in gas phase and in aqueous solution shows that the contributing orbitals significantly depend on solvent effects and these orbitals can be correctly determined by this theory.

  18. Investigating the Constrained Action Hypothesis: A Movement Coordination and Coordination Variability Approach.

    Vidal, Anthony; Wu, Will; Nakajima, Mimi; Becker, James


    The purpose of this study was to examine the effects of focus of attention cues on movement coordination and coordination variability in the lower extremity. Twenty participants performed the standing long jump under both internal and external focus of attention conditions. A modified vector coding technique was used to evaluate the influence of attentional focus cues on lower extremity coordination patterns and coordination variability during the jumps. Participants jumped significantly further under an external focus of attention condition compared with an internal focus of attention condition (p = .035, effect size = .29). Focus of attention also influenced coordination between the ankle and knee, F(6, 19) = 2.87, p = .012, effect size = .388, with participants primarily using their knees under the internal focus of attention, and using both their ankles and knees under the external focus of attention. Attentional focus cues did not influence ankle-knee, F(1, 19) = 0.02, p = .98, effect size = .02, or hip-knee, F(1, 19) = 5.00, p = .49, effect size = .16, coordination variability. Results suggest that while attentional focus may not directly influence movement coordination condition, there is still a change in movement strategy resulting in greater jump distances following an external focus of attention.

  19. Work Coordination Engine

    Zendejas, Silvino; Bui, Tung; Bui, Bach; Malhotra, Shantanu; Chen, Fannie; Kim, Rachel; Allen, Christopher; Luong, Ivy; Chang, George; Sadaqathulla, Syed


    The Work Coordination Engine (WCE) is a Java application integrated into the Service Management Database (SMDB), which coordinates the dispatching and monitoring of a work order system. WCE de-queues work orders from SMDB and orchestrates the dispatching of work to a registered set of software worker applications distributed over a set of local, or remote, heterogeneous computing systems. WCE monitors the execution of work orders once dispatched, and accepts the results of the work order by storing to the SMDB persistent store. The software leverages the use of a relational database, Java Messaging System (JMS), and Web Services using Simple Object Access Protocol (SOAP) technologies to implement an efficient work-order dispatching mechanism capable of coordinating the work of multiple computer servers on various platforms working concurrently on different, or similar, types of data or algorithmic processing. Existing (legacy) applications can be wrapped with a proxy object so that no changes to the application are needed to make them available for integration into the work order system as "workers." WCE automatically reschedules work orders that fail to be executed by one server to a different server if available. From initiation to completion, the system manages the execution state of work orders and workers via a well-defined set of events, states, and actions. It allows for configurable work-order execution timeouts by work-order type. This innovation eliminates a current processing bottleneck by providing a highly scalable, distributed work-order system used to quickly generate products needed by the Deep Space Network (DSN) to support space flight operations. WCE is driven by asynchronous messages delivered via JMS indicating the availability of new work or workers. It runs completely unattended in support of the lights-out operations concept in the DSN.

  20. The Spectroscopy and Reaction Kinetics of Coordinated Unsaturated Metal Carbonyls.


    liquid disso- ciation. I. Martyn Poliakoff and Eric Weitz, to be published in "Advances in Organo- metallic Chemistry" (1985). 2. A. J. Ouderkirk, P... Poliakoff and Eric Weitz, to be published in Annual Review of Organometallic Chemistry, 1985. c) Gas Phase Infrared Spectroscopy and Recombination of this work by the 7.. 7 donors of the Petroleum Research Fund, administered by the American Chemical * -Society. We thank Dr. Martyn Poliakoff

  1. The Spectroscopy and Reaction Kinetics of Coordinatively Unsaturated Metal Carbonyls.


    and Eric Weitz, J. Am. Chem. Soc. 105, 3354 (1983). 3. A. Ouderkirk and Eric Weitz, J. Chem. Phys. Z2, 1089 (1983). 4. M. Poliakoff and E. Weitz...Advances in Organometallic Chemistry 25, 277 V (1986). 5. Eric Weitz, J. Phys. Chem. 21, 3945 (1987). 6. Martyn Poliakoff and Eric Weitz, Accts. Chem. Res...Nazran, A. S.; Drouin, K.; Hackett, P. A. J. Phys. Chem, 1986, 90, 2982. 11. Barton, T. J.; Grinter, R.; Thomson, A. J.; Davies, B.; Poliakoff , M. J. C. S

  2. Advice for Coordination

    Hankin, Chris; Nielson, Flemming; Nielson, Hanne Riis


    demanding than the closed joinpoints in more traditional aspect oriented languages like AspectJ. The usefulness of our approach is demonstrated by mechanisms for discretionary and mandatory access control policies, as usually expressed by reference monitors, as well as mechanisms for logging actions.......We show how to extend a coordination language with support for aspect oriented programming. The main challenge is how to properly deal with the trapping of actions before the actual data have been bound to the formal parameters. This necessitates dealing with open joinpoints – which is more...

  3. Markov stochasticity coordinates

    Eliazar, Iddo


    Markov dynamics constitute one of the most fundamental models of random motion between the states of a system of interest. Markov dynamics have diverse applications in many fields of science and engineering, and are particularly applicable in the context of random motion in networks. In this paper we present a two-dimensional gauging method of the randomness of Markov dynamics. The method-termed Markov Stochasticity Coordinates-is established, discussed, and exemplified. Also, the method is tweaked to quantify the stochasticity of the first-passage-times of Markov dynamics, and the socioeconomic equality and mobility in human societies.

  4. Gold coordination during homogeneous alkyne and allene cyclisation catalysis: Coordination to substrates, to ancillary ligands and in intermediates

    Hubert Schmidbaur


    Full Text Available The ever-increasing role of homogeneous gold catalysis in organic synthesis and the consequent need to be able to rationally control the rate and outcome of such reactions has emphasised the importance of each successive metal–carbon coordination step. Concentrating on alkyne and allene cyclisation and upon reaction mechanisms postulated on the basis of empirical and theoretical results, we have examined the coordination of gold fragments to triple bonds, the modification of gold(I precatalysts to effect specific reaction pathways or enantioselectivity and the isolation of coordinated intermediates or model compounds thereof. Some of the recent advances that have been made in various laboratories are described in this compact review.

  5. PTPRR, cerebellum, and motor coordination.

    Schmitt, Ina; Bitoun, Emmanuelle; Manto, Mario


    Tyrosine phosphorylation is a powerful mechanism of modulation for proliferation, differentiation, and functioning of neurons. The protein products of the neuronal mouse gene PTPRR are physiological regulators of mitogen-activated protein kinase (MAPK) activities. PTPRR(-/-) mice display deficits of motor coordination and balance skills. PTPRR gene orthologues are found in many vertebrates. Recent observations suggest that the human episodic ataxia 2 (EA2) and spinocerebellar ataxia types 6 (SCA6), 12 (SCA12), and 14 (SCA14) might be associated with impaired phosphorylation levels of cerebellum calcium channels and receptors. The concept that MAPK signaling is a key process in tuning synaptic plasticity in cerebellar circuits is now emerging, with numerous implications for understanding cerebellar functions and cerebellar disorders.

  6. An end-on-coordinated As4 tetrahedron.

    Schwarzmaier, Christoph; Timoshkin, Alexey Y; Scheer, Manfred


    One time only: The reaction of [Cp*Ru(dppe)Cl] with the potent As4 transfer reagent [Ag(η(2)-As4)2](+)[pftb](-) leads to [Cp*Ru(dppe)(η(1)-As4)](+)[pftb](-) with an unprecedented end-on-coordinated As4 tetrahedron. Reaction with a second cationic ruthenium complex fragment does not lead to a second end-on coordination but to the cleavage of one basal As-As bond. This behavior, which differs from its phosphorus analogues, is rationalized by DFT calculations.

  7. Non covalent assembly of coordination superstructures

    Khlobystov, A N


    The main topic of this work is the design of discrete and polymeric multi-component coordination structures using non-covalent interactions between organic and inorganic molecular components. All of the structures described herein are based on transition metal cations and N-donor heterocyclic bis-exodentate ligands with different geometries and various spacer functionalities. The predominant method used for the structural characterisation of the complexes was single crystal X-ray crystallography. X-ray powder diffraction, IR and NMR spectroscopies and TEM and AFM imaging were used to characterise the bulk products from the reactions. Chapter 1 is a comparative review of non-covalent interactions relevant to coordination superstructures and covers the latest developments in the area of crystal engineering and supramolecular chemistry. The nature, geometry and relative energy of the non-covalent interactions are considered in detail in order to reveal their influence on the structure and properties of complexes...

  8. Postural coordination during socio-motor improvisation

    Mathieu Gueugnon


    Full Text Available Human interaction often relies on socio-motor improvisation. Creating unprepared movements during social interaction is not a random process but relies on rules of synchronization. These situations do not only involve people to be coordinated, but also require the adjustment of their posture in order to maintain balance and support movements. The present study investigated posture in such a context. More precisely, we first evaluated the impact of amplitude and complexity of arm movements on posture in solo situation. Then, we assessed the impact of interpersonal coordination on posture using the mirror game in which dyads performed improvised and synchronized movements (i.e., duo situation. Posture was measured through ankle-hip coordination in medio-lateral and antero-posterior directions (ML and AP respectively. Our results revealed the spontaneous emergence of in-phase pattern in ML direction and anti-phase pattern in AP direction for solo and duo situations. These two patterns respectively refer to the simultaneous flexion/extension of the ankles and the hips in the same or opposite direction. It suggests different functional roles of postural coordination patterns in each direction, with in-phase supporting task performance in ML (dynamical stability and antiphase supporting postural control in AP (mechanical stability. Although amplitude of movement did not influence posture, movement complexity disturbed postural stability in both directions. Conversely, interpersonal coordination promoted postural stability in ML but not in AP direction. These results are discussed in terms of the difference in coupling strength between ankle-hip coordination and interpersonal coordination.

  9. Postural Coordination during Socio-motor Improvisation.

    Gueugnon, Mathieu; Salesse, Robin N; Coste, Alexandre; Zhao, Zhong; Bardy, Benoît G; Marin, Ludovic


    Human interaction often relies on socio-motor improvisation. Creating unprepared movements during social interaction is not a random process but relies on rules of synchronization. These situations do not only involve people to be coordinated, but also require the adjustment of their posture in order to maintain balance and support movements. The present study investigated posture in such a context. More precisely, we first evaluated the impact of amplitude and complexity of arm movements on posture in solo situation. Then, we assessed the impact of interpersonal coordination on posture using the mirror game in which dyads performed improvised and synchronized movements (i.e., duo situation). Posture was measured through ankle-hip coordination in medio-lateral and antero-posterior directions (ML and AP respectively). Our results revealed the spontaneous emergence of in-phase pattern in ML direction and antiphase pattern in AP direction for solo and duo situations. These two patterns respectively refer to the simultaneous flexion/extension of the ankles and the hips in the same or opposite direction. It suggests different functional roles of postural coordination patterns in each direction, with in-phase supporting task performance in ML (dynamical stability) and antiphase supporting postural control in AP (mechanical stability). Although amplitude of movement did not influence posture, movement complexity disturbed postural stability in both directions. Conversely, interpersonal coordination promoted postural stability in ML but not in AP direction. These results are discussed in terms of the difference in coupling strength between ankle-hip coordination and interpersonal coordination.

  10. Coordination Processes in International Organisations

    Nedergaard, Peter


    The EU is not a member of the International Labour Organisation (ILO), but relatively elaborate EU coordination takes place anyway. This paper addresses two research questions: 1) How is it possible to evaluate the coordination of the EU in its specific observable configuration in the ILO?, and 2......) To what outcome does this coordination lead and why? Based on an analysis of EU coordination before and during the International Labour Conference in 2005, and on a comparison with coordination processes of the IMEC group, it is found that the Commission and the Presidency act as twin-agents vis...... by the principals. On the other hand, both before and during the Conference, the Member States accept the so-called discursive coordination of the Commission, which seems to be of great (but often neglected) importance. Owing to the organisational set-up in which coordination takes place, the EU is able...

  11. 中西药雾化吸入配合护理防治鼻咽癌放疗口腔不良反应30例%Atomization Inhalation of Combined Chinese and Western Drugs Coordinated by Nursing for Prevent-ing and Treating Oral Adverse Reactions after Nasopharyngeal Carcinoma Radiotherapy in 30 Cases



    Objective To observe the clinical effect of atomization inhalation of self-designed Qingreyangying Decoction and Vitamin C Injection coordinated by the nursing care for preventing and treating oral adverse reactions caused by radiotherapy in the patients with nasopharyngeal carcinoma(NPC). Methods 60 patients with NPC in the hospital from January 2012 to October 2012 were selected and randomly divided into the observation group and the control group,30 cases in each group. All the patients were given the comprehen-sive symptomatic treatment of anti-infection,analgesia,nutrition support,etc. ,and routine care,but the observation group was added with the atomization inhalation of self-designed Qingreyangying Decoction and Vitamin C Injection,and corresponding nursing process. Results The number of the patients appearing more than grade Ⅱof acute adverse reactions such as dry mouth,taste sense change,dys-phagia,oropharyngeal pain and oral mucosa reaction in the observation group was lower than that in the control group( P < 0. 05);the appearance of radiotherapeutical adverse reactions in the observation group was later than that in the control group,while the recovery in the observation group was faster than that in the control group and the survival quality was superior to the control group ( P < 0. 05);no adverse reactions related with self-designed Qingreyangying Decoction and Vitamin C Injection in the observation group occurred,the occurrence rates of adverse reactions in the radiotherapy and chemotherapy in the observation group were similar to those in the control group without statistical differences( P ? 0. 05). Conclusion Atomization inhalation of self-designed Qingre Yangyin Decoction and Vitamin C Injection coordinated by the nursing care for preventing and treating the radiotherapeutical complica-tions in the patients with NPC,slows down the response time,lightens the degree of oral mucosa reaction,improves the survival quality, has high safety and is

  12. Development of the Coordination between Posture and Manual Control

    Haddad, Jeffrey M.; Claxton, Laura J.; Keen, Rachel; Berthier, Neil E.; Riccio, Gary E.; Hamill, Joseph; Van Emmerik, Richard E. A.


    Studies have suggested that proper postural control is essential for the development of reaching. However, little research has examined the development of the coordination between posture and manual control throughout childhood. We investigated the coordination between posture and manual control in children (7- and 10-year-olds) and adults during…

  13. The dilemmas of tax coordination in the enlarged European Union

    Brøchner, Jens; Jensen, Jesper; Svensson, Patrik;


    elaborate compensation mechanisms. (iii) The large and diverse country effects suggest that Enhanced Cooperation for a subset of the Member States may be the most likely route towards tax coordination. (iv) Identifying winners and losers from coordination for the purpose of a compensation mechanism may...

  14. Solvent effect in the Walden inversion reactions

    Jaume, J.; Lluch, J. M.; Oliva, A.; Bertrán, J.


    The solvent effect on the fluoride exchange reaction has been studied by means of ab initio calculations using the 3-21G basis set. It is shown that the motion of the solvent molecules is an important part of the reaction coordinate.

  15. Moving attractive virtual agent improves interpersonal coordination stability.

    Zhao, Zhong; Salesse, Robin N; Gueugnon, Mathieu; Schmidt, Richard C; Marin, Ludovic; Bardy, Benoît G


    Interpersonal motor coordination is influenced not only by biomechanical factors such as coordination pattern, oscillating frequency, and individual differences, but also by psychosocial factor such as likability and social competences. Based on the social stereotype of "what is beautiful is good", the present study aimed at investigating whether people coordinate differently with physically attractive people compared to less attractive people. 34 participants were engaged in an interpersonal coordination task with different looking (virtual) agents while performing at the same time a reaction time task. Results showed that participants had more stable motor coordination with the moving attractive than with the less attractive agent, and that the difference in motor coordination could not be interpreted by a specific attention allocation strategy. Our findings provide the evidence that physical attractiveness genuinely affects how people interact with another person, and that the temporal-spatial coordinated movement varies with the partner's psychosocial characteristics. The study broadens the perspective of exploring the effect of additional psychosocial factors on social motor coordination.

  16. Overview of coordination contracts within forward and reverse supply chains

    Govindan, Kannan; Popiuc, M.N.; Diabat, A.


    Contracts are comprehensive coordination mechanisms used in both theory and practice to coordinate various supply chain structures. By focusing on the coordination by contracts of the forward and reverse supply chains, the intention of this paper is to (1) present an overview of contracting...... literature and (2) suggest a classification of coordination contracts and contracting literature in the form of classification schemes. The criteria used for contract classification are transfer payment contractual incentives and inventory risk sharing. The classification schemes are based on the level...... of detail used in designing the coordination models. The paper gives a complete overview of the literature that addresses coordination by contracts, structures and classifies the existing work, and draws a parallel between the research conducted on the forward supply chain and the research on the reverse...

  17. Calculation of turbulent reactive flows in general orthogonal coordinates

    Lai, M. K. Y.


    The mathematical and numerical methodology for an extended and enhanced version of the TURCOM computer code, called TURCOM-BFC, is presented. This code solves the conservation equations of multi-component chemically reactive and turbulent flows in general curvilinear orthogonal coordinates. The k-epsilon turbulence submodel is used. Flame chemistry assumes a number of species and chemical reactions. The latter are subdivided into finite-rate reaction steps and a one-step irreversible reaction, whose rate is controlled by a combination of mixing and global kinetics. Both the SIMPLE and PISO algorithms are implemented to solve the system of equations. The capability of TURCOM-BFC is tested and demonstrated by predicting 3-dimensional combustion flow inside a reaction furnace, where both polar-cylindrical and bipolar coordinates are used.

  18. Reaction Graph



    The paper proposes reaction graphs as graphical representations of computational objects.A reaction graph is a directed graph with all its arrows and some of its nodes labeled.Computations are modled by graph rewriting of a simple nature.The basic rewriting rules embody the essence of both the communications among processes and cut-eliminations in proofs.Calculi of graphs are ideentified to give a formal and algebraic account of reaction graphs in the spirit of process algebra.With the help of the calculi,it is demonstrated that reaction graphs capture many interesting aspects of computations.

  19. Coordination using Implicit Communication

    Cuff, Paul


    We explore a basic noise-free signaling scenario where coordination and communication are naturally merged. A random signal X_1,...,X_n is processed to produce a control signal or action sequence A_1,...,A_n, which is observed and further processed (without access to X_1,...,X_n) to produce a third sequence B_1,...,B_n. The object of interest is the set of empirical joint distributions p(x,a,b) that can be achieved in this setting. We show that H(A) >= I(X;A,B) is the necessary and sufficient condition for achieving p(x,a,b) when no causality constraints are enforced on the encoders. We also give results for various causality constraints. This setting sheds light on the embedding of digital information in analog signals, a concept that is exploited in digital watermarking, steganography, cooperative communication, and strategic play in team games such as bridge.

  20. On Coordinating Collaborative Objects

    Imine, Abdessamad


    A collaborative object represents a data type (such as a text document) designed to be shared by a group of dispersed users. The Operational Transformation (OT) is a coordination approach used for supporting optimistic replication for these objects. It allows the users to concurrently update the shared data and exchange their updates in any order since the convergence of all replicas, i.e. the fact that all users view the same data, is ensured in all cases. However, designing algorithms for achieving convergence with the OT approach is a critical and challenging issue. In this paper, we propose a formal compositional method for specifying complex collaborative objects. The most important feature of our method is that designing an OT algorithm for the composed collaborative object can be done by reusing the OT algorithms of component collaborative objects. By using our method, we can start from correct small collaborative objects which are relatively easy to handle and incrementally combine them to build more ...

  1. Coordinating Group report


    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup.

  2. Investigation at the atomic level of homologous enzymes reveals distinct reaction paths

    Zoi, Ioanna; Schwartz, Steven D.


    Bacterial enzymes Escherichia coli and Vibrio cholerae 5' -Methylthioadenosine nucleosidases (MTANs) have different binding affinities for the same transition state analogue. This was surprising as these enzymes share 60% sequence identity, have almost identical active sites and act under the same mechanism. We performed Transition Path Sampling simulations of both enzymes to reveal the atomic details of the catalytic chemical step, to explain the inhibitor affinity differences. Unlike EcMTAN, VcMTAN has multiple distinct transition states, which is an indication that multiple sets of coordinated protein motions can reach a transition state. We also identified the important residues that participate in each enzyme's reaction coordinate and explained their contribution. Subtle dynamic differences manifest in difference of reaction coordinate and transition state structure and also suggest that MTANs differ from most ribosyl transferases. As experimental approaches report averages regarding reaction coordinate information, this study offers, previously unavailable, detailed knowledge to the explanation of bacterial MTANs catalytic mechanism, and could have a significant impact on pharmaceutical design. We acknowledge the support of the National Institutes of Health through Grant GM068036.

  3. Chemical potential and reaction electronic flux in symmetry controlled reactions.

    Vogt-Geisse, Stefan; Toro-Labbé, Alejandro


    In symmetry controlled reactions, orbital degeneracies among orbitals of different symmetries can occur along a reaction coordinate. In such case Koopmans' theorem and the finite difference approximation provide a chemical potential profile with nondifferentiable points. This results in an ill-defined reaction electronic flux (REF) profile, since it is defined as the derivative of the chemical potential with respect to the reaction coordinate. To overcome this deficiency, we propose a new way for the calculation of the chemical potential based on a many orbital approach, suitable for reactions in which symmetry is preserved. This new approach gives rise to a new descriptor: symmetry adapted chemical potential (SA-CP), which is the chemical potential corresponding to a given irreducible representation of a symmetry group. A corresponding symmetry adapted reaction electronic flux (SA-REF) is also obtained. Using this approach smooth chemical potential profiles and well defined REFs are achieved. An application of SA-CP and SA-REF is presented by studying the Cs enol-keto tautomerization of thioformic acid. Two SA-REFs are obtained, JA'(ξ) and JA'' (ξ). It is found that the tautomerization proceeds via an in-plane delocalized 3-center 4-electron O-H-S hypervalent bond which is predicted to exist only in the transition state (TS) region. © 2016 Wiley Periodicals, Inc.

  4. Evidence of common and separate eye and hand accumulators underlying flexible eye-hand coordination.

    Jana, Sumitash; Gopal, Atul; Murthy, Aditya


    Eye and hand movements are initiated by anatomically separate regions in the brain, and yet these movements can be flexibly coupled and decoupled, depending on the need. The computational architecture that enables this flexible coupling of independent effectors is not understood. Here, we studied the computational architecture that enables flexible eye-hand coordination using a drift diffusion framework, which predicts that the variability of the reaction time (RT) distribution scales with its mean. We show that a common stochastic accumulator to threshold, followed by a noisy effector-dependent delay, explains eye-hand RT distributions and their correlation in a visual search task that required decision-making, while an interactive eye and hand accumulator model did not. In contrast, in an eye-hand dual task, an interactive model better predicted the observed correlations and RT distributions than a common accumulator model. Notably, these two models could only be distinguished on the basis of the variability and not the means of the predicted RT distributions. Additionally, signatures of separate initiation signals were also observed in a small fraction of trials in the visual search task, implying that these distinct computational architectures were not a manifestation of the task design per se. Taken together, our results suggest two unique computational architectures for eye-hand coordination, with task context biasing the brain toward instantiating one of the two architectures. Previous studies on eye-hand coordination have considered mainly the means of eye and hand reaction time (RT) distributions. Here, we leverage the approximately linear relationship between the mean and standard deviation of RT distributions, as predicted by the drift-diffusion model, to propose the existence of two distinct computational architectures underlying coordinated eye-hand movements. These architectures, for the first time, provide a computational basis for the flexible

  5. A Unified Theory of Chemical Reactions

    Aubry, S


    We propose a new and general formalism for elementary chemical reactions where quantum electronic variables are used as reaction coordinates. This formalism is in principle applicable to all kinds of chemical reactions ionic or covalent. Our theory reveals the existence of an intermediate situation between ionic and covalent which may be almost barrierless and isoenegetic and which should be of high interest for understanding biochemistry.

  6. Invariant manifolds and collective coordinates

    Papenbrock, T. [Centro Internacional de Ciencias, Cuernavaca, Morelos (Mexico); Institute for Nuclear Theory, University of Washington, Seattle, WA (United States); Seligman, T.H. [Centro Internacional de Ciencias, Cuernavaca, Morelos (Mexico); Centro de Ciencias Fisicas, University of Mexico (UNAM), Cuernavaca (Mexico)


    We introduce suitable coordinate systems for interacting many-body systems with invariant manifolds. These are Cartesian in coordinate and momentum space and chosen such that several components are identically zero for motion on the invariant manifold. In this sense these coordinates are collective. We make a connection to Zickendraht's collective coordinates and present certain configurations of few-body systems where rotations and vibrations decouple from single-particle motion. These configurations do not depend on details of the interaction. (author)

  7. Solvent viscosity dependence for enzymatic reactions

    Sitnitsky, A E


    A mechanism for relationship of solvent viscosity with reaction rate constant at enzyme action is suggested. It is based on fluctuations of electric field in enzyme active site produced by thermally equilibrium rocking (cranckshaft motion) of the rigid plane (in which the dipole moment $\\approx 3.6 D$ lies) of a favourably located and oriented peptide group (or may be a few of them). Thus the rocking of the plane leads to fluctuations of the electric field of the dipole moment. These fluctuations can interact with the reaction coordinate because the latter in its turn has transition dipole moment due to separation of charges at movement of the reacting system along it. The rocking of the plane of the peptide group is sensitive to the microviscosity of its environment in protein interior and the latter is a function of the solvent viscosity. Thus we obtain an additional factor of interrelationship for these characteristics with the reaction rate constant. We argue that due to the properties of the cranckshaft ...

  8. Effect of Mobile Use on Reaction Time

    Chinmay Shah


    Full Text Available The use of cellular phones has skyrocketed in recent years, with more than 118 million subscribers in the United States as of July 1, 2001. Recent estimates suggest that cell phone users spend 60% of their cell phone time while driving. Reaction time is one of the important methods used to study a person's central information processing speed and fast coordinated peripheral movement response. The purpose of this study was to compare the reaction time without mobile use and with mobile use. It can be concluded that the reaction time is a prolonged with mobile use. The results of the study that has been described carry two significant implications for use of cellular phones. First, all users of cellular phones should be advised not to engage in intense phone conversations while the vehicle is moving. Businesses whose employees regularly carry on transactions by means of cellular phones might advise, or even direct that protracted dealings over the phone be avoided while the vehicle is underway.

  9. Bimanual motor coordination controlled by cooperative interactions in intrinsic and extrinsic coordinates.

    Sakurada, Takeshi; Ito, Koji; Gomi, Hiroaki


    Although strong motor coordination in intrinsic muscle coordinates has frequently been reported for bimanual movements, coordination in extrinsic visual coordinates is also crucial in various bimanual tasks. To explore the bimanual coordination mechanisms in terms of the frame of reference, here we characterized implicit bilateral interactions in visuomotor tasks. Visual perturbations (finger-cursor gain change) were applied while participants performed a rhythmic tracking task with both index fingers under an in-phase or anti-phase relationship in extrinsic coordinates. When they corrected the right finger's amplitude, the left finger's amplitude unintentionally also changed [motor interference (MI)], despite the instruction to keep its amplitude constant. Notably, we observed two specificities: one was large MI and low relative-phase variability (PV) under the intrinsic in-phase condition, and the other was large MI and high PV under the extrinsic in-phase condition. Additionally, using a multiple-interaction model, we successfully decomposed MI into intrinsic components caused by motor correction and extrinsic components caused by visual-cursor mismatch of the right finger's movements. This analysis revealed that the central nervous system facilitates MI by combining intrinsic and extrinsic components in the condition with in-phases in both intrinsic and extrinsic coordinates, and that under-additivity of the effects is explained by the brain's preference for the intrinsic interaction over extrinsic interaction. In contrast, the PV was significantly correlated with the intrinsic component, suggesting that the intrinsic interaction dominantly contributed to bimanual movement stabilization. The inconsistent features of MI and PV suggest that the central nervous system regulates multiple levels of bilateral interactions for various bimanual tasks.

  10. Expanding coordination chemistry from protein to protein assembly.

    Sanghamitra, Nusrat J M; Ueno, Takafumi


    Bioinorganic chemistry is of growing importance in the fields of nanomaterial science and biotechnology. Coordination of metals by biological systems is a crucial step in intricate enzymatic reactions such as photosynthesis, nitrogen fixation and biomineralization. Although such systems employ protein assemblies as molecular scaffolds, the important roles of protein assemblies in coordination chemistry have not been systematically investigated and characterized. Many researchers are joining the field of bioinorganic chemistry to investigate the inorganic chemistry of protein assemblies. This area is emerging as an important next-generation research field in bioinorganic chemistry. This article reviews recent progress in rational design of protein assemblies in coordination chemistry for integration of catalytic reactions using metal complexes, preparation of mineral biomimetics, and mechanistic investigations of biomineralization processes with protein assemblies. The unique chemical properties of protein assemblies in the form of cages, tubes, and crystals are described in this review.

  11. Intact Procedural Motor Sequence Learning in Developmental Coordination Disorder

    Lejeune, Caroline; Catale, Corinne; Willems, Sylvie; Meulemans, Thierry


    The purpose of the present study was to explore the possibility of a procedural learning deficit among children with developmental coordination disorder (DCD). We tested 34 children aged 6-12 years with and without DCD using the serial reaction time task, in which the standard keyboard was replaced by a touch screen in order to minimize the impact…

  12. A one-dimensional barium(II) coordination polymer with a coordinated nitro group of 2-nitrobenzoate

    Bikshandarkoil R Srinivasan; Santosh Y Shetgaonkar; Pallepogu Raghavaiah


    The aqueous reaction of barium carbonate with 2-nitrobenzoic acid (2-nbaH) results in the formation of a one-dimensional coordination polymer, catena-poly[[hexa(aqua)dibarium(II)]bis[(2-2-nitrobenzoate-O,O,O-NO2)(2-2-nitrobenzoate-O,O,O')

  13. Coordination Control Of Complex Machines

    J.C.M. Baeten; B. van Beek; J. Markovski; L.J.A.M. Somers


    Control and coordination are important aspects of the development of complex machines due to an ever-increasing demand for better functionality, quality, and performance. In WP6 of the C4C project, we developed a synthesis-centric systems engineering framework suitable for supervisory coordination o

  14. Coordination of Conditional Poisson Samples

    Grafström Anton


    Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

  15. The coordinate system for force control.

    Saha, Devjani J; Hu, Xiao; Perreault, Eric; Murray, Wendy; Mussa-Ivaldi, Ferdinando A


    The primary objective of this study was to establish the coordinate frame for force control by observing how parameters of force that are not explicitly specified by a motor task vary across the workspace. We asked subjects to apply a force of a specific magnitude with their hand. Subjects could complete the task by applying forces in any direction of their choice in the transverse plane. They were tested with the arm in seven different configurations. To estimate whether contact forces are represented in extrinsic or intrinsic coordinates, we applied the parallel transport method of differential geometry to the net joint torques applied during the task. This approach allowed us to compare the force variability observed at different arm configurations with the force variability that would be expected if the control system were applying an invariant pattern of joint torques at the tested configurations. The results indicate that for the majority of the subjects, the predominant pattern was consistent with an invariant representation in joint coordinates. However, two out of eleven subjects also demonstrated a preference for extrinsic representation. These findings suggest that the central nervous system can represent contact forces in both coordinate frames, with a prevalence toward intrinsic representations.

  16. Investigating silver coordination to mixed chalcogen ligands.

    Knight, Fergus R; Randall, Rebecca A M; Wakefield, Lucy; Slawin, Alexandra M Z; Woollins, J Derek


    Six silver(I) coordination complexes have been prepared and structurally characterised. Mixed chalcogen-donor acenaphthene ligands L1-L3 [Acenap(EPh)(E'Ph)] (Acenap = acenaphthene-5,6-diyl; E/E' = S, Se, Te) were independently treated with silver(I) salts (AgBF₄/AgOTf). In order to keep the number of variables to a minimum, all reactions were carried out using a 1:1 ratio of Ag/L and run in dichloromethane. The nature of the donor atoms, the coordinating ability of the respective counter-anion and the type of solvent used in recrystallisation, all affect the structural architecture of the final silver(I) complex, generating monomeric, silver(I) complexes {[AgBF₄(L)₂] (1 L = L1; 2 L = L2; 3 L = L3), [AgOTf(L)₃] (4 L = L1; 5 L = L3), [AgBF₄(L)₃] (2a L = L1; 3a L = L3)} and a 1D polymeric chain {[AgOTf(L3)](n) 6}. The organic acenaphthene ligands L1-L3 adopt a number of ligation modes (bis-monodentate μ₂-η²-bridging, quasi-chelating combining monodentate and η⁶-E(phenyl)-Ag(I) and classical monodentate coordination) with the central silver atom at the centre of a tetrahedral or trigonal planar coordination geometry in each case. The importance of weak interactions in the formation of metal-organic structures is also highlighted by the number of short non-covalent contacts present within each complex.

  17. Investigating Silver Coordination to Mixed Chalcogen Ligands

    J. Derek Woollins


    Full Text Available Six silver(I coordination complexes have been prepared and structurally characterised. Mixed chalcogen-donor acenaphthene ligands L1–L3 [Acenap(EPh(E'Ph] (Acenap = acenaphthene-5,6-diyl; E/E' = S, Se, Te were independently treated with silver(I salts (AgBF4/AgOTf. In order to keep the number of variables to a minimum, all reactions were carried out using a 1:1 ratio of Ag/L and run in dichloromethane. The nature of the donor atoms, the coordinating ability of the respective counter-anion and the type of solvent used in recrystallisation, all affect the structural architecture of the final silver(I complex, generating monomeric, silver(I complexes {[AgBF4(L2] (1 L = L1; 2 L = L2; 3 L = L3, [AgOTf(L3] (4 L = L1; 5 L = L3, [AgBF4(L3] (2a L = L1; 3a L = L3} and a 1D polymeric chain {[AgOTf(L3]n 6}. The organic acenaphthene ligands L1-L3 adopt a number of ligation modes (bis-monodentate μ2-η2-bridging, quasi-chelating combining monodentate and η6-E(phenyl-Ag(I and classical monodentate coordination with the central silver atom at the centre of a tetrahedral or trigonal planar coordination geometry in each case. The importance of weak interactions in the formation of metal-organic structures is also highlighted by the number of short non-covalent contacts present within each complex.

  18. Comparative Reaction Diagrams for the SN2 Reaction Formulated According to the Leffler Analysis and the Hammond Postulate.

    Haddon, Robert C; Tian, Ziqi; Jiang, De-En


    The Hammond Postulate and the Leffler analysis have provided a cornerstone in the understanding of reaction processes in organic chemistry for over 60 years, yet quantitative applications of these methodologies over the range of reactions envisaged in the original works remain elusive. In the present paper, we analyze a series of SN2 reactions in three solvents that lead to endothermic and exothermic reaction processes, and we show that within the hybridization reaction coordinate the SN2 reaction is fully consistent with both treatments. We give new presentations of the reaction energies as a function of reaction progress, which allow the generation of unified reaction coordinate diagrams that show a linear relationship between the hybridization metric of reaction progress and the relative energies of the stationary points on the potential surface as a function of structure and solvent as originally envisaged by Leffler and Hammond.

  19. Enterprise Coordination on the Internet

    Charles Petrie


    Full Text Available Enterprises are now connected internally and externally to other Enterprises via the Internet in ways that are increasingly difficult to manage, especially as these interconnections become more dynamic. Current methods of coordinating the effects of change as they propagate through these networks of connections are not likely to scale. What is needed is a new paradigm for how the Internet supports such coordination. Indeed, the Internet should and could provide fundamental coordination functions that are missing today. In this paper, we describe how such a “Coordinated Internet” would work (this paper is an expanded version of [1]. The key functionality of a Coordinated Internet would be that the Internet actively watches what people do (analogous to search completion on desktops today, correlates these activities, and actively notifies people when and how their current tasks affect and are affected by the activities of other people. This would be accomplished by standard coordination functions implemented as a common Internet layer that can be used as a utility by more specialized applications. Such a Coordinated Internet would revolutionize enterprise management, for all enterprises, large and small, corporate and personal. For example, static workflows would become obsolete for all but the the most routine processes. Some solutions provide existence proofs of such a coordination substrate, such as the Redux solution in concurrent engineering, which we describe herein. However, foundational research remains to be done in the new field of Coordination Engineering in order to reach the goal of a future Internet in which coordination functions are fundamental.

  20. Differential changes in the development of motor coordination and executive functions in children with motor coordination impairments.

    Michel, Eva; Molitor, Sabine; Schneider, Wolfgang


    Cognitive and motor coordination skills of children with and without motor coordination impairments were examined with a one-year follow-up investigation. Initially, children were between 4 and 6 years old. Age-appropriate tests of executive functions (updating, switching, inhibition, interference control), motor coordination (the Movement Assessment Battery for Children-2) and fitness (the Körperkoordinations-Test für Kinder) were administered in two consecutive years. Several background variables (age, socioeconomic status, medical support, clinical interventions, leisure activities) and potential moderators (nonverbal intelligence, reaction time, visual perception) were controlled. The matched sample consisted of 48 control children and 48 children with motor coordination impairments. The children's executive functions dramatically improved during the one-year period. With regard to motor coordination performance, half of the impaired children caught up to the control children's level ("remission group"), while the remaining half showed no improvement ("persisting group"). Compared to the persisting group, the children in the remission group showed markedly better interference control at both measurement points. The correlation between executive functions and motor coordination is significant in the persisting group, but not in the remission group. The results of the study are discussed in the light of the role of executive functions, especially inhibition processes, for the automatization of motor coordination tasks.

  1. Theoretical Study on the NO2 + NO2- Electron Transfer Reaction

    ZHOU,Zheng-Yu(周正宇); GAO,Hong-Wei(高洪伟); XING,Yu-Mei(邢玉梅); GUO,Li(郭丽); QU,Yu-Hui(曲玉辉)


    The NO2 + NO2- electron transfer reaction was studied with DFT-B3LYP method at 6-311 + G* basis set level for the eight selected structures: four species favor the strucure of "head to head". The geometry of transition state was obtained by the linear coordinate method. Three parameters, non-adiahatic activation energy (Ead), coupling matrix element (Hif) and reorganization energy (λ) for electron transfer reaction can be calculated. According to the reorganization energy of the ET reaction, the values obtained from George-Griffith-Marcus (GGM) method (the contribution only from diagonal elements of force constant matrix) are larger than those obtained from Hessian matrix method (including the contribution from both diagonal and off-diagonal elements), which suggests that the coupling interactions between different vibrational modes are important to the inner-sphere reogrganization energy for the ET reactions in gaseous phase. The value of rate constant was obtained by using above three activation parameters.

  2. Design and synthesis of chiral Ti-1,1'-bi-2-naphthol coordination polymers for heterogeneous catalytic asymmetric oxidation of sulfides

    YUAN Xiao-ya; WANG Xiao-tian


    Polymer-immobilized catalysis has many advantages such as easy recovery and reuse of catalyst. We prepared three novel chiral 1,1'-bi-2-naphthol-Ti coordination polymers with properly designed ligands and Ti(OiPr)4 under mild conditions. The prepared polymers exhibited good activity and excellent enantioselectivity (over 99%ee) in catalyzing the asymmetric oxidation of sulfides. The bridge linker in the polymer and the reaction solvent noticeably affected the enantioselectivity. The chiral coordination polymer was very stable and easy to separate from catalyzed reaction systems, with no significant loss of activity or enantioselectivity after reuse for at least ten times. These findings suggest a promising type of catalysts for synthesizing the widely used sulfoxides by asymmetrically oxidizing sulfides.

  3. Keep Meaning in Conversational Coordination

    Elena Clare Cuffari


    Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

  4. Chinese geodetic coordinate system 2000

    YANG YuanXi


    The basic strategies In establishing the Chinese geodetic coordinate system 2000 have been summarized,including the definition of the coordinate system,the structure of the terrestrial reference frame,the functional and stochastic models involved in the realization of the reference frame as well as the Improvements of the adjustment procedures.First,the fundamental frame of the coordinate system is composed of the permanent GPS tracking network in China which is integrated into the international GPS service stations by combined adjustment,in order to guarantee the consistence between the international terrestrial reference system and the Chinese geodetic coordinate system.Second,the extended frame of the coordinate system is composed of the unified 2000' national GPS network which is Integrated by 6 nationwide GPS networks with more than 2500 stations under the controlling of the fundamental frame.Third,the densified frame is composed of national astronomical geodetic network with nearly 50 thousand stations which was updated by the combined adjustment with the 2000' national GPS network,thus the datum of the national astronomical geodetic network has been unified and the precision greatly improved.By the optimal data fusion method the influences of the datum errors,systematic errors and the outliers in the separated geodetic networks are weakened in the unified Chinese geodetic coordinate frame.The significance in application of the new geodetic coordinate system and the existing problems In the reference frame are described and analyzed.

  5. An Integrative Perspective on Interpersonal Coordination in Interactive Team Sports

    Silvan Steiner


    Full Text Available Interpersonal coordination is a key factor in team performance. In interactive team sports, the limited predictability of a constantly changing context makes coordination challenging. Approaches that highlight the support provided by environmental information and theories of shared mental models provide potential explanations of how interpersonal coordination can nonetheless be established. In this article, we first outline the main assumptions of these approaches and consider criticisms that have been raised with regard to each. The aim of this article is to define a theoretical perspective that integrates the coordination mechanisms of the two approaches. In doing so, we borrow from a theoretical outline of group action. According to this outline, group action based on a priori shared mental models is an example of how interpersonal coordination is established from the top down. Interpersonal coordination in reaction to the perception of affordances represents the bottom-up component of group action. Both components are inextricably involved in the coordination of interactive sports teams. We further elaborate on the theoretical outline to integrate a third, constructivist approach. Integrating this third approach helps to explain interpersonal coordination in game situations for which no shared mental models are established and game situations that remain ambiguous in terms of perceived affordances. The article describes how hierarchical, sequential, and complex dimensions of action organization are important aspects of this constructivist perspective and how mental models may be involved. A basketball example is used to illustrate how top-down, bottom-up and constructivist processes may be simultaneously involved in enabling interpersonal coordination. Finally, we present the implications for research and practice.

  6. Emergence and stability of interlimb coordination patterns in children with developmental coordination disorder.

    de Castro Ferracioli, Marcela; Hiraga, Cynthia Yukiko; Pellegrini, Ana Maria


    The purpose of this study was to investigate the emergence and stability of coordination patterns in children with developmental coordination disorder (DCD) when performing a rhythmic interlimb coordination task on rigid (floor) and elastic (mini-trampoline) surfaces. Twelve typically developing (TD) children and 12 children with DCD were required to clap while jumping under different conditions: in a chosen pattern - Free; when the feet touched the surface - Clapping-surface; when the body reached the maximum jumping height - Clapping-jump; and when the feet touched the surface and the body reached the maximum jumping height - Clapping-both. The results showed that the coordination pattern of children with DCD was more variable in the Free, Clapping-surface, and Clapping-jumping conditions and more variable on the mini-trampoline than on the floor under the Free condition when compared with the TD children. Clapping-jumping was more difficult to perform than Clapping-surface for both groups. These findings suggest that the children with DCD were less capable of rhythmically coordinating the jumping-clapping task because they used a type of exploratory strategy regarding the physical properties of the surfaces, whereas the TD children used a type of adaptive strategy displaying behavior that was more consistent across the tasks/environmental demands.

  7. Bimanual coordination: A missing piece of arm rehabilitation after stroke.

    Kantak, Shailesh; Jax, Steven; Wittenberg, George


    Inability to use the arm in daily actions significantly lowers quality of life after stroke. Most contemporary post-stroke arm rehabilitation strategies that aspire to re-engage the weaker arm in functional activities have been greatly limited in their effectiveness. Most actions of daily life engage the two arms in a highly coordinated manner. In contrast, most rehabilitation approaches predominantly focus on restitution of the impairments and unilateral practice of the weaker hand alone. We present a perspective that this misalignment between real world requirements and intervention strategies may limit the transfer of unimanual capability to spontaneous arm use and functional recovery. We propose that if improving spontaneous engagement and use of the weaker arm in real life is the goal, arm rehabilitation research and treatment need to address the coordinated interaction between arms in targeted theory-guided interventions. Current narrow focus on unimanual deficits alone, difficulty in quantifying bimanual coordination in real-world actions and limited theory-guided focus on control and remediation of different coordination modes are some of the biggest obstacles to successful implementation of effective interventions to improve bimanual coordination in the real world. We present a theory-guided taxonomy of bimanual actions that will facilitate quantification of coordination for different real-world tasks and provide treatment targets for addressing coordination deficits. We then present evidence in the literature that points to bimanual coordination deficits in stroke survivors and demonstrate how current rehabilitation approaches are limited in their impact on bimanual coordination. Importantly, we suggest theory-based areas of future investigation that may assist quantification, identification of neural mechanisms and scientifically-based training/remediation approaches for bimanual coordination deficits post-stroke. Advancing the science and practice of

  8. Toward a theory of coordinating: Creating coordinating mechanisms in practice

    Jarzabkowski, P; Le, J. K.; Feldman, M. S.


    This paper uses a practice perspective to study coordinating as dynamic activities that are continuously created and modified in order to enact organizational relationships and activities. It is based on the case of Servico, an organization undergoing a major restructuring of its value chain in response to a change in government regulation. In our case, the actors iterate between the abstract concept of a coordinating mechanism referred to as end-to-end management and its performance in pract...

  9. From weakly coordinating to non-coordinating anions? A simple preparation of the silver salt of the least coordinating anion and its application to determine the ground state structure of the Ag(eta2-P4)2+ cation.

    Bihlmeier, Angela; Gonsior, Marcin; Raabe, Ines; Trapp, Nils; Krossing, Ingo


    The unexpected but facile preparation of the silver salt of the least coordinating [(RO)3Al-F-Al(OR)3]- anion (R=C(CF3)3) by reaction of Ag[Al(OR)4] with one equivalent of PCl3 is described. The mechanism of the formation of Ag[(RO)3Al-F-Al(OR)3] is explained based on the available experimental data as well as on quantum chemical calculations with the inclusion of entropy and COSMO solvation enthalpies. The crystal structures of (RO)3AlAgP2 planes for the less symmetrical [(RO)3Al-F-Al(OR)3]- anion. This implies that silver back bonding, suggested by quantum chemical population analyses to be of importance, is only weak.

  10. Evaluating the Relational Coordination instrument

    Edwards, Kasper; Lundstrøm, Sanne Lykke


    and surgical performance. This has prompted the attention of both practitioners and politicians some of who perceive relational coordination as a means to attain better performance. The relational coordination instrument has been validated as a measure of teamwork from the following perspectives: internal...... consistency, interrater agreement and reliability, structural validity, content validity. However as relational coordination is being used as a diagnostics tool it is important to examine further if the instrument can measure changes. Indeed we need to know how precise and sensitive the instrument is when...

  11. Developmental Coordination Disorder Affects the Processing of Action-Related Verbs

    Mirabella, Giovanni; Del Signore, Sara; Lakens, Daniel; Averna, Roberto; Penge, Roberta; Capozzi, Flavia


    Processing action-language affects the planning and execution of motor acts, which suggests that the motor system might be involved in action-language understanding. However, this claim is hotly debated. For the first time, we compared the processing of action-verbs in children with Developmental Coordination Disorder (DCD), a disease that specifically affects the motor system, with children with a typical development (TD). We administered two versions of a go/no-go task in which verbs expressing either hand, foot or abstract actions were presented. We found that only when the semantic content of a verb has to be retrieved, TD children showed an increase in reaction times if the verb involved the same effector used to give the response. In contrast, DCD patients did not show any difference between verb categories irrespective of the task. These findings suggest that the pathological functioning of the motor system in individuals with DCD also affects language processing. PMID:28119585

  12. Multi-Objective Coordinated Scheduling of Electric Vehicles and Renewable Generation Based on Improved Chemical Reaction Optimization Algorithm%基于改进化学反应优化算法的电动汽车与可再生能源多目标协同调度

    张智晟; 温令云; 李国; 张伟


    To mitigate the impact of fluctuation of renewable generation output on power grid and accelerate the population of electric vehicles (EV), taking the minimized output fluctuation of renewable generation and the maximized income of EV users as objective function and considering the constraints of the electricity quantity stored in the battery, the charging/discharging power and the charging/discharging times, a multi-objective coordinated scheduling model, in which the grid-connectible EV, wind power generation system and photovoltaic (PV) generation system are taken into account simultaneously, is established. A virtual ideal molecular based multi-objective improved chemical reaction optimization algorithm(CROA) is proposed, and the established model is solved by the proposed algorithm. In allusion to such defects of CROA as slow convergence and low accuracy, the update mode of particle swarm optimization algorithm is integrated with the improved CROA. Results of calculation example show that through reasonably arranging the charging/discharging of EV, the output fluctuation of renewable generation can be effectively suppressed and the income of EV users can be increased. Comparison results show that the virtual ideal molecular based improved multi-objective CROA possesses strong searching ability.%为减小可再生能源出力波动对电网的影响以及加快电动汽车的普及速率,以最小化可再生能源的出力波动和最大化电动汽车用户收益为目标函数,计及电池储存电量约束、充放电功率约束和充放电次数约束等条件,建立了同时计及可入网电动汽车、风力发电和光伏发电系统的多目标协同调度模型。提出了基于虚拟理想分子的多目标改进化学反应优化算法(chemical reaction optimization algorithm , CROA),并用该算法对模型进行了求解,针对化学反应算法收敛速度慢、精度低的缺陷,在算法中融入了粒子群优化算法的更

  13. Intercell Interference Coordination through Limited Feedback

    Lingjia Liu


    Full Text Available We consider the applications of multicell transmission schemes to the downlink of future wireless communication networks. A multicell multiple-input multiple output-(MIMOs based scheme with limited coordination among neighboring base stations (BSs is proposed to effectively combat the intercell interference by taking advantage of the degreesoffreedom in the spatial domain. In this scheme, mobile users are required to feedback channel-related information to both serving base station and interfering base station. Furthermore, a chordal distance-based compression scheme is introduced to reduce the feedback overhead. The performance of the proposed scheme is investigated through theoretical analysis as well as system level simulations. Both results suggest that the so-called “intercell interference coordination through limited feedback” scheme is a very good candidate for improving the cell-edge user throughput as well as the average cell throughput of the future wireless communication networks.

  14. A common control signal and a ballistic stage can explain the control of coordinated eye-hand movements.

    Gopal, Atul; Murthy, Aditya


    Voluntary control has been extensively studied in the context of eye and hand movements made in isolation, yet little is known about the nature of control during eye-hand coordination. We probed this with a redirect task. Here subjects had to make reaching/pointing movements accompanied by coordinated eye movements but had to change their plans when the target occasionally changed its position during some trials. Using a race model framework, we found that separate effector-specific mechanisms may be recruited to control eye and hand movements when executed in isolation but when the same effectors are coordinated a unitary mechanism to control coordinated eye-hand movements is employed. Specifically, we found that performance curves were distinct for the eye and hand when these movements were executed in isolation but were comparable when they were executed together. Second, the time to switch motor plans, called the target step reaction time, was different in the eye-alone and hand-alone conditions but was similar in the coordinated condition under assumption of a ballistic stage of ∼40 ms, on average. Interestingly, the existence of this ballistic stage could predict the extent of eye-hand dissociations seen in individual subjects. Finally, when subjects were explicitly instructed to control specifically a single effector (eye or hand), redirecting one effector had a strong effect on the performance of the other effector. Taken together, these results suggest that a common control signal and a ballistic stage are recruited when coordinated eye-hand movement plans require alteration.

  15. Some properties of emission coordinates

    Pozo, J M


    4 emitters broadcasting an increasing electromagnetic signal generate a system of relativistic coordinates for the space-time, called emission coordinates. Their physical realization requires an apparatus similar to the one of the Global Navigation Satellite Systems (GNSS). Several relativistic corrections are utilized for the current precisions, but the GNSS are conceived as classical (Newtonian) systems, which has deep implications in the way of operating them. The study of emission coordinates is an essential step in order to develop a fully relativistic theory of positioning systems. This talk presents some properties of emission coordinates. In particular, we characterize how any observer sees a configuration of satellites giving a degenerated system and show that the trajectories of the satellites select a unique privileged observer at each point and, for any observer, a set of 3 orthogonal spatial axes.

  16. Coordination Games on Dynamical Networks

    Enea Pestelacci


    Full Text Available We propose a model in which agents of a population interacting according to a network of contacts play games of coordination with each other and can also dynamically break and redirect links to neighbors if they are unsatisfied. As a result, there is co-evolution of strategies in the population and of the graph that represents the network of contacts. We apply the model to the class of pure and general coordination games. For pure coordination games, the networks co-evolve towards the polarization of different strategies. In the case of general coordination games our results show that the possibility of refusing neighbors and choosing different partners increases the success rate of the Pareto-dominant equilibrium.

  17. Fedosov supermanifolds: II. Normal coordinates

    Geyer, B; Geyer, Bodo; Lavrov, Peter


    The study of recently introduced Fedosov supermanifolds is continued. Using normal coordinates, properties of even and odd symplectic supermanifolds endowed with a symmetric connection respecting given sympletic structure are studied.

  18. Surface normals and barycentric coordinates

    Mullineux Glen


    Full Text Available The normal to a triangular parametric surface is investigated where the parameters used are barycentric coordinates. Formulae for the normal are obtained for non-rational and rational surfaces.

  19. Ellipsoidal analysis of coordination polyhedra

    Cumby, James; Attfield, J. Paul


    The idea of the coordination polyhedron is essential to understanding chemical structure. Simple polyhedra in crystalline compounds are often deformed due to structural complexity or electronic instabilities so distortion analysis methods are useful. Here we demonstrate that analysis of the minimum bounding ellipsoid of a coordination polyhedron provides a general method for studying distortion, yielding parameters that are sensitive to various orders in metal oxide examples. Ellipsoidal analysis leads to discovery of a general switching of polyhedral distortions at symmetry-disallowed transitions in perovskites that may evidence underlying coordination bistability, and reveals a weak off-centre `d5 effect' for Fe3+ ions that could be exploited in multiferroics. Separating electronic distortions from intrinsic deformations within the low temperature superstructure of magnetite provides new insights into the charge and trimeron orders. Ellipsoidal analysis can be useful for exploring local structure in many materials such as coordination complexes and frameworks, organometallics and organic molecules.

  20. Capture reactions

    Endt, P.M.


    Capture reactions will be considered here from the viewpoint of the nuclear spectroscopist. Especially important to him are the capture of neutrons, protons, and alpha particles, which may proceed through narrow resonances, offering a well defined initial state for the subsequent deexcitation proces

  1. Allergic Reactions

    ... round, they may be caused by exposure to indoor allergens such as dust mites, indoor molds or pets. Urticaria, or hives, is characterized ... home. Video: What is an allergic reaction? » Utility navigation Donate Annual meeting Browse your conditions Check pollen ...

  2. Kaluza's theory in generalized coordinates

    García-Perciante, A L; García-Colin, L S; Garcia-Perciante, Ana Laura; Sandoval-Villalbazo, Alfredo


    Maxwell's equations can be obtained in generalized coordinates by considering the electromagnetic field as an external agent. The work here presented shows how to obtain the electrodynamics for a charged particle in generalized coordinates eliminating the concept of external force. Based on Kaluza's formalism, the one here presented extends the 5x5 metric into a 6x6 space-time giving enough room to include magnetic monopoles in a very natural way.

  3. Coordination theory and collaboration technology

    Olson, Gary M; Smith, John B


    The National Science Foundation funded the first Coordination Theory and Collaboration Technology initiative to look at systems that support collaborations in business and elsewhere. This book explores the global revolution in human interconnectedness. It will discuss the various collaborative workgroups and their use in technology. The initiative focuses on processes of coordination and cooperation among autonomous units in human systems, in computer and communication systems, and in hybrid organizations of both systems. This initiative is motivated by three scientific issues which have been

  4. CPN Models in General Coordinates

    Barnes, K J


    An analysis of CPN models is given in terms of general coordinates or arbitrary interpolating fields.Only closed expressions made from simple functions are involved.Special attention is given to CP2 and CP4. In the first of these the retrieval of stereographic coordinates reveals the hermitian form of the metric. A similar analysis for the latter case allows comparison with the Fubini-Study metric.

  5. Inflation, Growth and Policy Coordination

    Renato E. Reside Jr.; Parantap Basu


    The effect of monetary policy on output growth and inflation is examined in a monetary endogenous growth model with an explicit banking sector that intermediates capital. Monetary policy is coordinated with fiscal policy in the sense that all the seigniorage revenue gleaned through the inflation tax is spent to make efficient provision of public services. With the reserve requirement and money growth as instruments, policy coordination implies that one instrument may be solved endogenously wh...

  6. Enhancing healthcare sector coordination through infrastructure and logistics support.

    Zoraster, Richard M


    The International Response to the 2004 Southeast Asia Tsunami was noted to have multiple areas of poor coordination, and in 2005, the "Health Cluster"approach to coordination was formulated. However, the 2010 Haiti response suggests that many of the same problems continue and that there are significant limitations to the cluster meetings. These limitations include the inconsistent attendance, poor dissemination of information, and perceived lack of benefit to providers. This article proposes that healthcare coordination would be greatly improved with logistical support, leading to improved efficiency and outcomes for those affected by disasters.

  7. Managing interteam coordination within and between organizations

    de Vries, Thomas Arend


    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’

  8. Development of the Coordination between Posture and Manual Control

    Haddad, Jeffrey M.; Claxton, Laura J.; Keen, Rachel; Berthier, Neil; Riccio, Gary E.; Hamill, Joseph; Van Emmerik, Richard


    Studies have suggested that proper postural control is essential for the development of reaching. However, little research has examined the development of the coordination between posture and manual control throughout childhood. We investigated the coordination between posture and manual control in 7- and 10- year-old children, and adults during a precision fitting task as task constraints became more difficult. Participants fit a block through an opening as arm kinematics, trunk kinematics a...

  9. Conforming to coordinate: children use majority information for peer coordination.

    Grueneisen, Sebastian; Wyman, Emily; Tomasello, Michael


    Humans are constantly required to coordinate their behaviour with others. As this often relies on everyone's convergence on the same strategy (e.g., driving on the left side of the road), a common solution is to conform to majority behaviour. In this study, we presented 5-year-old children with a coordination problem: To retrieve some rewards, they had to choose the same of four options as a peer partner--in reality a stooge--whose decision they were unable to see. Before making a choice, they watched a video showing how other children from their partner's peer group had behaved; a majority chose the same option and a minority chose a different one. In a control condition, children watched the same video but could then retrieve the reward irrespective of their partner's choice (i.e., no coordination was necessary). Children followed the majority more often when coordination was required. Moreover, conformers mostly justified their choices by referring to the majority from the video demonstration. This study is the first to show that young children are able to strategically coordinate decisions with peers by conforming to the majority.

  10. Metallogels from Coordination Complexes, Organometallic, and Coordination Polymers.

    Dastidar, Parthasarathi; Ganguly, Sumi; Sarkar, Koushik


    A supramolecular gel results from the immobilization of solvent molecules on a 3D network of gelator molecules stabilized by various supramolecular interactions that include hydrogen bonding, π-π stacking, van der Waals interactions, and halogen bonding. In a metallogel, a metal is a part of the gel network as a coordinated metal ion (in a discrete coordination complex), as a cross-linking metal node with a multitopic ligand (in coordination polymer), and as metal nanoparticles adhered to the gel network. Although the field is relatively new, research into metallogels has experienced a considerable upsurge owing to its fundamental importance in supramolecular chemistry and various potential applications. This focus review aims to provide an insight into the development of designing metallogelators. Because of the limited scope, discussions are confined to examples pertaining to metallogelators derived from discrete coordination complexes, organometallic gelators, and coordination polymers. This review is expected to enlighten readers on the current development of designing metallogelators of the abovementioned class of molecules. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Highly cytotoxic DNA-interacting copper(II) coordination compounds.

    Brissos, Rosa F; Torrents, Ester; dos Santos Mello, Francyelli Mariana; Carvalho Pires, Wanessa; Silveira-Lacerda, Elisângela de Paula; Caballero, Ana B; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J; Gamez, Patrick


    Four new Schiff-base ligands have been designed and prepared by condensation reaction between hydrazine derivatives (i.e. 2-hydrazinopyridine or 2-hydrazinoquinoline) and mono- or dialdehyde (3-tert-butyl-2-hydroxybenzaldehyde and 5-tert-butyl-2-hydroxyisophthalaldehyde, respectively). Six copper(II) coordination compounds of various nuclearities have been obtained from these ligands, which are formulated as [Cu(L1)Cl](CH3OH) (1), [Cu(L2)NO3] (2), [Cu2(L3)(ClO4)2(CH3O)(CH3OH)](CH3OH) (3), [Cu2(L4)(ClO4)(OH)(CH3OH)](ClO4) (4), [Cu8(L3)4(NO3)4(OH)5](NO3)3(CH3OH)5(H2O)8 (5) and [Cu3(HL2')4Cl6](CH3OH)6 (6), as revealed by single-crystal X-ray studies. Their DNA-interacting abilities have been investigated using different characterization techniques, which suggest that the metal complexes act as efficient DNA binders. Moreover, cytotoxicity assays with several cancer cell lines show that some of them are very active, as evidenced by the sub-micromolar IC50 values achieved in some cases.

  12. Functional connectivity in the neuromuscular system underlying bimanual coordination.

    de Vries, Ingmar E J; Daffertshofer, Andreas; Stegeman, Dick F; Boonstra, Tjeerd W


    Neural synchrony has been suggested as a mechanism for integrating distributed sensorimotor systems involved in coordinated movement. To test the role of corticomuscular and intermuscular coherence in bimanual coordination, we experimentally manipulated the degree of coordination between hand muscles by varying the sensitivity of the visual feedback to differences in bilateral force. In 16 healthy participants, cortical activity was measured using EEG and muscle activity of the flexor pollicis brevis of both hands using high-density electromyography (HDsEMG). Using the uncontrolled manifold framework, coordination between bilateral forces was quantified by the synergy index RV in the time and frequency domain. Functional connectivity was assessed using corticomuscular coherence between muscle activity and cortical source activity and intermuscular coherence between bilateral EMG activity. The synergy index increased in the high coordination condition. RV was higher in the high coordination condition in frequencies between 0 and 0.5 Hz; for the 0.5- to 2-Hz frequency band, this pattern was inverted. Corticomuscular coherence in the beta band (16-30 Hz) was maximal in the contralateral motor cortex and was reduced in the high coordination condition. In contrast, intermuscular coherence was observed at 5-12 Hz and increased with bimanual coordination. Within-subject comparisons revealed a negative correlation between RV and corticomuscular coherence and a positive correlation between RV and intermuscular coherence. Our findings suggest two distinct neural pathways: 1) corticomuscular coherence reflects direct corticospinal projections involved in controlling individual muscles; and 2) intermuscular coherence reflects diverging pathways involved in the coordination of multiple muscles. Copyright © 2016 the American Physiological Society.

  13. Cyclometalation reactions five-membered ring products as universal reagents

    Omae, Iwao


    Offering unrivalled breadth of coverage on the topic, this review of cyclometalation reactions and organometallic intramolecular-coordination five-membered ring products includes discussion of vital commercial aspects such as synthetic applications.


    Huseyin Kuru


    Full Text Available The aim of this study is to measure Turkish government employees’ awareness of cyber security and cyber space elements. Participants were 71 Turkish public employees working for various ministries. Both qualitative and quantitative research methods were used to get the most detailed information from the participants. A survey was administered to cyber security officers in chosen state institutions. For qualitative research, open-ended questions were administered to the participants. Reliability and validity issues were established for both surveys. Results show that employees have enough information about cyber security and cyber warfare. Findings clearly suggests that cyber defense policy should be planned in coordination with other state institutions and experiences should be shared. In order to create feasible and realistic cyber security policy at institutional level, experts at cyber security must be trained, hired and help must be requested from specialized individuals and institutions. This study recommends that rapid reaction teams (RRT should be established to take care of cyber systems, to react against cyber breaches in time, to alert staff for cyber-attacks in order to establish effective recovery.

  15. Back Reaction of Cosmological Perturbations

    Brandenberger, R H


    The presence of cosmological perturbations affects the background metric and matter configuration in which the perturbations propagate. This effect, studied a long time ago for gravitational waves, also is operational for scalar gravitational fluctuations, inhomogeneities which are believed to be more important in inflationary cosmology. The back-reaction of fluctuations can be described by an effective energy-momentum tensor. The issue of coordinate invariance makes the analysis more complicated for scalar fluctuations than for gravitational waves. We show that the back-reaction of fluctuations can be described in a diffeomorphism-invariant way. In an inflationary cosmology, the back-reaction is dominated by infrared modes. We show that these modes give a contribution to the effective energy-momentum tensor of the form of a negative cosmological constant whose absolute value grows in time. We speculate that this may lead to a self-regulating dynamical relaxation mechanism for the cosmological constant. This ...

  16. 某基层医院中老年人药品不良反应特点及合理用药建议%Characteristics of Adverse Drug Reactions in Middle Aged and Elderly People and Suggestions for Rational Drug Use



    Objective To understand the clinical characteristics of adverse drug reactions ( ADR ) to offer reference for clinical rational drug use in future. Methods The clinical data of 1260 inpatients in the internal medicine department of our hospital from March. 2012 to May. 2013 were collected, in which 726 cases aged more than 49 years were selected as the research subjects. The general informa-tion, disease course, length of hospital stay, liver or renal function, ADR history, clinical manifestations, etc. were statistically ana-lyzed. Results There were 138 cases of ADR with the ADR occurrence rate of 19. 01% and the case-times rate of 21. 90%; the mild and moderate ADR was predominant, which accounted for 80. 43%. ADR occurred in 10 categories of drugs, which were mainly antimicrobial agents, accounted for 30. 19%, followed by the circulatory system drugs, accounted for 19. 50%, digestive system drugs was the third, accounted for 11. 32% ; the intravenous drip or intravenous injection were the main administration mode causing ADR ( 69. 18% );skin, digestive and nervous systems were the main ADR involving parts;91. 30% of cases were cured after actively symp-tomatic treatment. The single factor chi-square analysis found that females, the patients aged over 60 years old, with abnormal liver or renal function, past history of ADR, and the diseases more than 3 kinds were more likely to happen ADR, there were statistically signif-icant differences ( P< 0. 05 or P< 0. 01 ) . Conclusion The middle aged and elderly people have the higher occurrence rate of ADR. Recognizing the patients with susceptibility to ADR on admission and by combining the clinical characteristics of ADR can increase the rate of rational drug use, thus reduce the occurrence rate of ADR.%目的:了解中老年人发生药品不良反应(ADR)的临床特点,为临床合理用药提供借鉴。方法收集2012年3月至2013年5月期间医院内科病房1260例患者

  17. Werner coordination chemistry and neurodegeneration.

    Telpoukhovskaia, Maria A; Orvig, Chris


    Neurodegenerative diseases are capturing the world's attention as being the next set of diseases we must tackle collectively. Not only are the patients experiencing gradual cognitive and physical decline in most cases, but these diseases are fatal with no prevention currently available. As these diseases are progressive, providing care and symptom treatment for the ageing population is becoming both a medical and a financial challenge. This review discusses how Werner coordination chemistry plays a role in three diseases - those of Alzheimer's, Parkinson's, and prions. Metal ions are considered to be involved in these diseases in part via their propensity to cause toxic aggregation of proteins. First, the coordination of metal ions, with emphasis on copper(II), to metalloproteins that are hallmarks of these diseases - amyloid β, α-synuclein, and prion, respectively - will be discussed. We will present the current understanding of the metal coordination environments created by the amino acids of these proteins, as well as metal binding affinity. Second, a diverse set of examples of rationally designed metal chelators to outcompete this deleterious binding will be examined based on coordination mode and affinity toward bio-relevant metal ions. Overall, this review will give a general overview of protein and metal chelator coordination environments in neurodegenerative diseases.

  18. Suggestibility and negative priming: two replication studies.

    David, Daniel; Brown, Richard J


    Research suggests that inhibiting the effect of irrelevant stimuli on subsequent thought and action (cognitive inhibition) may be an important component of suggestibility. Two small correlation studies were conducted to address the relationship between different aspects of suggestibility and individual differences in cognitive inhibition, operationalized as the degree of negative priming generated by to-be-ignored stimuli in a semantic categorization task. The first study found significant positive correlations between negative priming, hypnotic suggestibility, and creative imagination; a significant negative correlation was obtained between negative priming and interrogative suggestibility, demonstrating the discriminant validity of the study results. The second study replicated the correlation between negative priming and hypnotic suggestibility, using a different suggestibility measurement procedure that assessed subjective experience and hypnotic involuntariness as well as objective responses to suggestions. These studies support the notion that the ability to engage in cognitive inhibition may be an important component of hypnotic responsivity and maybe of other forms of suggestibility.

  19. Difficulty leading interpersonal coordination: Towards an embodied signature of social anxiety disorder

    Manuel eVarlet


    Full Text Available Defined by a persistent fear of embarrassment or negative evaluation while engaged in social interaction or public performance, social anxiety disorder (SAD is one of the most common psychiatric syndromes. Previous research has made a considerable effort to better understand and assess this mental disorder. However, little attention has been paid to social motor behavior of patients with SAD despite its crucial importance in daily social interactions. Previous research has shown that the coordination of arm, head or postural movements of interacting people can reflect their mental states or feelings such as social connectedness and social motives, suggesting that interpersonal movement coordination may be impaired in patients suffering from SAD. The current study was specifically aimed at determining whether SAD affects the dynamics of social motor coordination. We compared the unintentional and intentional rhythmic coordination of a SAD group (19 patients paired with control participants with the rhythmic coordination of a control group (19 control pairs in an interpersonal pendulum coordination task. The results demonstrated that unintentional social motor coordination was preserved with SAD while intentional coordination was impaired. More specifically, intentional coordination became impaired when patients with SAD had to lead the coordination as indicated by poorer (i.e., more variable coordination. These differences between intentional and unintentional coordination as well as between follower and leader roles reveal an impaired coordination dynamics that is specific to SAD, and thus, opens promising research directions to better understand, assess and treat this mental disorder.

  20. Developmental coordination disorder: what is it?

    Dewey, D; Wilson, B N


    This paper begins with a discussion of the historical basis for the concept of developmental coordination disorder (DCD). The definition of this disorder as it appears in the Diagnostic and Statistical Manual of Mental Disorders IV (DSM-IV) is then provided. The four diagnostic criteria proposed by the DSM-IV are used to describe the disorder. Problems associated with the assessment of DCD are discussed and suggestions for further research are identified. This is followed by a discussion of intervention approaches that can be used with children identified with DCD.

  1. Suggested Activities on Sociological Health Problems: Drugs, Alcoholism, Smoking for Student Teachers.

    Samalonis, Bernice

    This is a list of recommendations for a neophyte teacher for discussions with students on drugs, alcoholism, and smoking. Included are suggested readings, suggested questions for the school's drug education coordinator, recommended readings, and New York sources of information. (Related document is SP 006 468.) (JA)

  2. Coordination chemistry in the design of heterogeneous photocatalysts.

    Gao, Chao; Wang, Jin; Xu, Hangxun; Xiong, Yujie


    Heterogeneous catalysts have been widely used for photocatalysis, which is a highly important process for energy conversion, owing to their merits such as easy separation of catalysts from the reaction products and applicability to continuous chemical industry and recyclability. Yet, homogenous photocatalysis receives tremendous attention as it can offer a higher activity and selectivity with atomically dispersed catalytic sites and tunable light absorption. For this reason, there is a major trend to combine the advantages of both homogeneous and heterogeneous photocatalysts, in which coordination chemistry plays a role as the bridge. In this article, we aim to provide the first systematic review to give a clear picture of the recent progress from taking advantage of coordination chemistry. We specifically summarize the role of coordination chemistry as a versatile tool to engineer catalytically active sites, tune light harvesting and maneuver charge kinetics in heterogeneous photocatalysis. We then elaborate on the common fundamentals behind various materials systems, together with key spectroscopic characterization techniques and remaining challenges in this field. The typical applications of coordination chemistry in heterogeneous photocatalysis, including proton reduction, water oxidation, carbon dioxide reduction and organic reactions, are highlighted.

  3. Sending Hidden Data via Google Suggest

    Bialczak, Piotr; Szczypiorski, Krzysztof


    Google Suggest is a service incorporated within Google Web Search which was created to help user find the right search phrase by proposing the autocompleting popular phrases while typing. The paper presents a new network steganography method called StegSuggest which utilizes suggestions generated by Google Suggest as a hidden data carrier. The detailed description of the method's idea is backed up with the analysis of the network traffic generated by the Google Suggest to prove its feasibility. The traffic analysis was also performed to discover the occurrence of two TCP options: Window Scale and Timestamp which StegSuggest uses to operate. Estimation of method steganographic bandwidth proves that it is possible to insert 100 bits of steganogram into every suggestions list sent by Google Suggest service.

  4. COCO: Conversion of Celestial Coordinates

    Wallace, Patrick


    The COCO program converts star coordinates from one system to another. Both the improved IAU system, post-1976, and the old pre-1976 system are supported. COCO can perform accurate transformations between multiple coordinate systems. COCO's user-interface is spartan but efficient and the program offers control over report resolution. All input is free-format, and defaults are provided where this is meaningful. COCO uses SLALIB (ascl:1403.025) and is distributed as part of the Starlink software collection (ascl:1110.012).

  5. A coordination language for databases

    Li, Ximeng; Wu, Xi; Lluch Lafuente, Alberto


    We present a coordination language for the modeling of distributed database applications. The language, baptized Klaim-DB, borrows the concepts of localities and nets of the coordination language Klaim but re-incarnates the tuple spaces of Klaim as databases. It provides high-level abstractions...... in the semantics. The use of the language is illustrated in a scenario where the sales from different branches of a chain of department stores are aggregated from their local databases. Raising the abstraction level and encapsulating integrity checks in the language primitives have benefited the modeling task...

  6. Reinventing suggestion systems for continuous improvement

    Schuring, R.W.; Luijten, Harald


    This article reports an experiment to increase the effectiveness of a suggestion system by deliberately applying principles of the kaizen and performance management. Design rules for suggestion systems are derived from these theories. The suggestion system that resulted differs from traditional

  7. Reinventing suggestion systems for continuous improvement

    Schuring, Roel W.; Luijten, Harald


    This article reports an experiment to increase the effectiveness of a suggestion system by deliberately applying principles of the kaizen and performance management. Design rules for suggestion systems are derived from these theories. The suggestion system that resulted differs from traditional sugg

  8. Supramolecular Organization of Porphyrin and Phthalocyanine by Complementary Coordination

    Yoshiaki; Kobuke; Masakuni; Fujita; Toshimasa; Sugimura; Akiharu; Satake


    1 Results We have already established a methodology of supramolecular organization of porphyrin and phthalocyanine by complementary coordination of the imidazolyl substituent to their metal centers.Since the stability constants reached a range of 1011 to 1012 M-1 in nonpolar solvents,it allowed construction of stable structures such as special pair of photosynthetic reaction center and light-harvesting antenna complex of photosynthetic bacteria.Here,we report one-dimensional array of porphyrin for the d...

  9. Cohesion and coordination effects on transition metal surface energies

    Ruvireta, Judit; Vega, Lorena; Viñes, Francesc


    Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

  10. 7 CFR 22.201 - Coordination.


    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Coordination. 22.201 Section 22.201 Agriculture Office of the Secretary of Agriculture RURAL DEVELOPMENT COORDINATION Roles and Responsibilities of Federal Government § 22.201 Coordination. The following identifies types and levels of coordination: (a) Washington...

  11. 15 CFR 923.56 - Plan coordination.


    ... 15 Commerce and Foreign Trade 3 2010-01-01 2010-01-01 false Plan coordination. 923.56 Section 923... COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Coordination, Public Involvement and National Interest § 923.56 Plan coordination. (a) The management program must be coordinated with local, areawide,...

  12. 40 CFR 109.6 - Coordination.


    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6..., LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination... coordination of these contingency plans with the National Oil and Hazardous Materials Pollution...

  13. 29 CFR 42.8 - Coordination plan.


    ... 29 Labor 1 2010-07-01 2010-07-01 true Coordination plan. 42.8 Section 42.8 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.8 Coordination plan. (a) Based upon, among other things, the... coordination plan concerning farm labor-related responsibilities of the Department, including migrant housing...

  14. 33 CFR 165.8 - Geographic coordinates.


    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 165.8... Geographic coordinates. Geographic coordinates expressed in terms of latitude or longitude, or both, are not... 1983 (NAD 83), unless such geographic coordinates are expressly labeled NAD 83. Geographic...

  15. The Convex Coordinates of the Symmedian Point

    Boyd, J. N.; Raychowdhury, P. N.


    In this note, we recall the convex (or barycentric) coordinates of the points of a closed triangular region. We relate the convex and trilinear coordinates of the interior points of the triangular region. We use the relationship between convex and trilinear coordinates to calculate the convex coordinates of the symmedian point of the triangular…

  16. 78 FR 73819 - Forest Resource Coordinating Committee


    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of...-18, 2013 meeting of the Forest Resource Coordinating Committee due to the Government partial shutdown... INFORMATION CONTACT: Maya Solomon, Forest Resource Coordinating Committee Program Coordinator; by phone at...

  17. Structure selection and coordination in dual-channel supply chains

    Jingjing Cai


    Full Text Available Purpose: This paper investigates the influence of channel structures and channel coordination on the supplier, the retailer and the entire supply chain in the context of two different kinds of marketing models: The common retailer and the exclusive shop.Methodology: With suppliers who manufacture the alternative commodities and retailers in the dual-channel supply chains as the object of the research, this paper compares suppliers' profits, consumer utility without coordination and contrasts suppliers' and retailers' profits with coordination to determine the range of the revenue sharing rates and which parameters are related.Findings: The analysis suggests the preference lists of the supplier and the retailer over channel structures with and without coordination are different, and depend on parameters like channel basic demand, channel cost and channel substitutability.Originality/value: In this research, new sales model for two suppliers should choose the same retailer or the exclusive retailers to sell their commodities.

  18. On energy conversion in a sigma coordinate ocean model

    Eldevik, Tor


    Energy diagnostics are useful for understanding the transfer of energy through instabilities and between different scales. In this note the conservation equations for kinetic and potential energy, divided into suitable mean and eddy quantities, for a sigma coordinate ocean model are set up. By identifying the transfer terms responsible for the conservative conversions between the different energies, an energy flow diagram is suggested. The motivation for this is twofold. Firstly, the average operator required for dividing the quantities of the flow into mean and eddy parts is in general not well defined in Cartesian coordinates when the upper and lower boundaries are not at fixed vertical levels. This is overcome by introducing the ''terrain-following'' sigma as the vertical coordinate. Secondly, and most important, many of today's numerical ocean models have this as the vertical coordinate. (author)

  19. Interjoint coordination and the personal lift-assist device.

    Graham, Ryan B; Smallman, Catherine L W; Sadler, Erin M; Stevenson, Joan M


    It has been suggested that interjoint coordination may serve to reduce joint stress and muscular demand and to maintain balance during dynamic lifting tasks, thus having implications for safe lifting practices. Before recommending the use of an on-body ergonomic aid, the Personal Lift-Assist Device (PLAD), it is important to determine any effects this device may have on interjoint coordination. Principal component analyses were applied to relative phase angle waveforms, defining the hip-knee and lumbar spine-hip coordination of 15 males and 15 females during a repetitive lifting task. When wearing the PLAD, users lifted with more synchronous hip-knee and lumbar spine-hip coordination patterns (P lift (P < .01) for all conditions. No significant main effects of sex or significant interactions were observed on any of the outcome variables.

  20. Capital Income Tax Coordination and the Income Tax Mix

    Huizinga, Harry; Nielsen, Søren Bo


    Europe has seen several proposals for tax coordination only in the area of capital income taxation, leaving countries free to adjust their labor taxes. The expectation is that highercapital income tax revenues would cause countries to reduce their labor taxes. This paper shows that such changes...... in the mix of capital and labor taxes brought on by capital income tax coordination can potentially be welfare reducing. This reflects that in a non-cooperative equilibrium capital income taxes may be more distorting from an international perspective than are labor income taxes. Simulations with a simple...... model calibrated to EU public finance data suggest that countries indeed lower their labor taxes in response to higher coordinated capital income taxes. The overall welfare effects of capital income tax coordination, however, are estimated to remain positive.JEL Classification: F20, H87...



    period of time. The coordinated sustainable development situation was quantitatively described, and the low development level was comprehensivelyanalyzed, and suggestions were raised for its future coordinated sustainable development.

  2. The emergent coordination of cognitive function.

    Kello, Christopher T; Beltz, Brandon C; Holden, John G; Van Orden, Guy C


    1/f scaling has been observed throughout human physiology and behavior, but its origins and meaning remain a matter of debate. Some argue that it is a byproduct of ongoing processes in the brain or body and therefore of limited relevance to psychological theory. Others argue that 1/f scaling reflects a fundamental aspect of all physiological and cognitive functions, namely, that they emerge in the balance of independent versus interdependent component activities. In 4 experiments, series of key-press responses were used to test between these 2 alternative explanations. The critical design feature was to take 2 measures of each key-press response: reaction time and key-contact duration. These measures resulted in 2 parallel series of intrinsic fluctuations for each series of key-press responses. Intrinsic fluctuations exhibited 1/f scaling in both reaction times and key-contact durations, yet the 2 measures were uncorrelated with each other and separately perturbable. These and other findings indicate that 1/f scaling is too pervasive to be idiosyncratic and of limited relevance. It is instead argued that 1/f scaling reflects the coordinative, metastable basis of cognitive function. 2007 APA

  3. Legendre Analysis of Hadronic Reactions

    Azimov, Ya I


    Expansions over Legendre functions are suggested as a model-independent way of compact presentation of modern precise and high-statistics data for two-hadron reactions. Some properties of the expansions are described.

  4. Immediate reaction to clarithromycin.

    Gangemi, S; Ricciardi, L; Fedele, R; Isola, S; Purello-D'Ambrosio, F


    We present the case of bronchospastic reaction to clarithromycin had during a drug challenge test. Personal allergic history was negative for respiratory allergies and positive for adverse drug reactions to general and regional anesthesia and to ceftriaxone. After the administration of 1/4 of therapeutic dose of clarithromycin the patient showed dyspnea, cough and bronchospasm in all the lung fields. The positivity of the test was confirmed by the negativity to the administration of placebo. The quickness and the clinical characteristic of the adverse reaction suggest a pathogenic mechanism of immediate-type hypersensitivity. On reviewing the literature we have found no reports of bronchospastic reaction to clarithromycin. Macrolides are a class of antibiotics mainly used in the last years in place of beta-lactams because of a broad spectrum of action and a low allergic power. In fact, there are few reports on allergic reactions to these molecules. Clarithromycin is one of the latest macrolides, characterised by the presence of a 14-carbon-atom lactone ring as erythromycin, active on a wide spectrum of pathogens.

  5. Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy

    Ren, Zefeng; Che, Li; Qiu, Minghui; Wang, Xingan; Dong, Wenrui; Dai, Dongxu; Wang, Xiuyan; Yang, Xueming; Sun, Zhigang; Fu, Bina; Lee, Soo-Y.; Xu, Xin; Zhang, Dong H.


    Reaction resonances are transiently trapped quantum states along the reaction coordinate in the transition state region of a chemical reaction that could have profound effects on the dynamics of the reaction. Obtaining an accurate reaction potential that holds these reaction resonance states and eventually modeling quantitatively the reaction resonance dynamics is still a great challenge. Up to now, the only viable way to obtain a resonance potential is through high-level ab initio calculations. Through highly accurate crossed-beam reactive scattering studies on isotope-substituted reactions, the accuracy of the resonance potential could be rigorously tested. Here we report a combined experimental and theoretical study on the resonance-mediated F + HD → HF + D reaction at the full quantum state resolved level, to probe the resonance potential in this benchmark system. The experimental result shows that isotope substitution has a dramatic effect on the resonance picture of this important system. Theoretical analyses suggest that the full-dimensional FH2 ground potential surface, which was believed to be accurate in describing the resonance picture of the F + H2 reaction, is found to be insufficiently accurate in predicting quantitatively the resonance picture for the F + HD → HF + D reaction. We constructed a global potential energy surface by using the CCSD(T) method that could predict the correct resonance peak positions as well as the dynamics for both F + H2 → HF + H and F + HD → HF + D, providing an accurate resonance potential for this benchmark system with spectroscopic accuracy. PMID:18687888

  6. Coordination Frictions and Job Heterogeneity

    Kennes, John; le Maire, Christian Daniel

    This paper develops and extends a dynamic, discrete time, job to worker matching model in which jobs are heterogeneous in equilibrium. The key assumptions of this economic environment are (i) matching is directed and (ii) coordination frictions lead to heterogeneous local labor markets. We de- rive...

  7. Terrestrial Coordinate Systems and Frames

    Boucher, C.; Murdin, P.


    A terrestrial reference system (TRS) is a spatial reference system corotating with the Earth in its DIURNAL MOTION in space. In such a system, the positions of points anchored on the Earth's solid surface have coordinates which have only small variations with time, as a result of geophysical effects (tectonic or tidal deformations; see TECTONICS, EARTH'S INTERIOR, TIDES). A terrestrial reference ...

  8. Archimedes' Principle in General Coordinates

    Ridgely, Charles T.


    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is…

  9. Coordinating talk and practical action

    Oshima, Sae; Streeck, Jürgen


    This paper investigates how talk and practical action are coordinated during one type of activity involving professional communication: the service-assessment sequence in hair salons. During this activity, a practical inspection of the haircut must be coupled with sequentially produced verbal act...

  10. Archimedes' Principle in General Coordinates

    Ridgely, Charles T.


    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is…

  11. Coordinating talk and practical action

    Oshima, Sae; Streeck, Jürgen


    . Our analysis of four examples reveals that there is no fixed relationship between the organization of talk and practical action. Instead, people manipulate this relationship on a moment-by-moment basis, often coordinating the two into a single, integral package, or relying on one stream of action...

  12. Early insulin therapy Coordination Council

    Marina Vladimirovna Shestakova


    Full Text Available Coordination Council has denoted the importance of adherence to Russian and international guidelines and prominent role of insulin therapy in management of type 2 diabetes mellitus (T2DM. Insulin therapy in T2DM preserves endogenous insulin secretion, prevents or decelerates development of microvascular complications and is known to be the most effective glucose-lowering treatment.

  13. Pathophysiology of hemolytic transfusion reactions.

    Davenport, Robertson D


    Hemolytic transfusion reactions (HTR) are systemic reactions provoked by immunologic red blood cell (RBC) incompatibility. Clinical and experimental observations of such reactions indicate that they proceed through phases of humoral immune reaction, activation of phagocytes, productions of cytokine mediators, and wide-ranging cellular responses. HTR have many features in common with the systemic inflammatory response syndrome (SIRS). Knowledge of the pathophysiologic mechanisms in HTR suggest that newer biological agents that target complement intermediates or proinflammatory cytokines may be effective agents in the treatment of severe HTRs.

  14. Spallation reactions; Reactions de spallation

    Cugon, J.


    Spallation reactions dominate the interactions of hadrons with nuclei in the GeV range (from {approx} 0.1 to {approx} 10 GeV). They correspond to a sometimes important ejection of light particles leaving most of the time a residue of mass commensurate with the target mass. The main features of the experimental data are briefly reviewed. The most successful theoretical model, namely the intranuclear cascade + evaporation model, is presented. Its physical content, results and possible improvements are critically discussed. Alternative approaches are shortly reviewed. (author). 84 refs.

  15. The coordinated development of China' s inland water transport%The coordinated development of China' s inland water transport

    Deng Aimin; Tian Feng; Haasis H.D; Mao Lang; Cai Jia


    The coordinated development is the core of sustainable development and the hot issue of international research. Inland water transport (IWT) is an important part of the water resources exploiting system and comprehensive transport system under socio-economic context of river basin, and also the country' s sustainable development priorities to achieve resource-conserving and environment-friendly strategy. Based on the coordinated development content, the paper combined Germany' s successful development experience, explored the elements and problem of the coordinated development of IWT system of China' s national economic strategy and basin economy, water resourse system, comprehensive transport system, and system itself, and their countermeasures and suggestions, in order to facilitate rapid and coordinated development of China' s inland water transport.

  16. CNS effects of indomethacin: should patients be cautioned about decreased mental alertness and motor coordination?

    Hegeman, Judith; van den Bemt, Bart; Weerdesteyn, Vivian; Nienhuis, Bart; van Limbeek, Jacques; Duysens, Jacques


    In many European countries as well as in the USA, the leaflet, or even the packaging of indomethacin, contains a specific warning to refrain from activities requiring mental alertness and motor coordination, such as driving a car. In this placebo-controlled randomized study with a crossover design we attempted to find evidence for that warning. Indomethacin 75 mg slow release or a visually identical placebo with similar flavour was taken orally twice daily for 2.5 days. It was suggested that indomethacin affects the motor coordination required to avoid obstacles successfully during walking and that this effect will be even stronger when simultaneously performing a cognitive task that puts mental alertness to the test. Nineteen healthy middle-aged individuals (60 ± 4.7 years, eight female) performed an obstacle avoidance task on a treadmill), combined with a cognitive secondary task. Biceps femoris (BF) muscle response times, obstacle avoidance failure rates and composite scores ((100 × accuracy)/verbal response time) were used to evaluate the data. No differences between indomethacin and placebo were found on the outcome measures regarding motor coordination, avoidance failure rates (P = 0.81) and BF response times (P = 0.47), nor on the performance on the secondary cognitive task (P = 0.12). Even though surrogate methods were used, the current study provides evidence to suggest that there might be no need to caution patients who experience CNS side effects after indomethacin use to avoid activities requiring quick and adequate reactions, such as walking under challenging circumstances and maybe also driving a car. © 2012 The Authors. British Journal of Clinical Pharmacology © 2012 The British Pharmacological Society.

  17. Spanning boundaries and creating strong patient relationships to coordinate care are strategies used by experienced chronic condition care coordinators.

    Ehrlich, Carolyn; Kendall, Elizabeth; Muenchberger, Heidi


    People with complex chronic conditions frequently need to navigate their own way through and around a fragmented and siloed health care system. Care coordination is a defining principle of primary care and is frequently proposed as a solution to this problem. However, care coordination requires more time and effort than primary care physicians alone have the capacity to deliver. Although registered nurses (RNs) are skilled team members who can be included in the delivery of coordinated patient care, any model of care coordination that involves RNs needs to fit within the existing health care delivery system. In this study, which used qualitative techniques based on grounded theory and included face-to-face interviews and open coding and theoretical sampling until data saturation was achieved, and which was one component of a larger action research study, we aimed to gain an understanding of the difference between usual chronic condition care and the work of chronic condition care coordination. The researchers interviewed general practitioners and RNs from various general practice sites who were actively coordinating care. Four unique processes were found to define care coordination implementation, namely: (1) moving beyond usual practice by spanning boundaries; (2) relationship-based care; (3) agreed roles and routines among relevant parties; and (4) committing to chronic condition care coordination. The findings suggested that existing professional and organisational cultures required negotiation before care coordination could be integrated into existing contexts. The challenge, however, seems to be in acknowledging and overcoming professional practice boundaries that define existing care through reflective practice and shared resourcing.

  18. Hypnotizability, not suggestion, influences false memory development.

    Dasse, Michelle N; Elkins, Gary R; Weaver, Charles A


    Hypnotizability influences the development of false memories. In Experiment 1, participants heard a positive or negative suggestion regarding hypnosis and then listened to 8 Deese-Roediger-McDermott (DRM) false memory paradigm lists in a hypnotic state. Neither hypnosis nor prehypnotic suggestion affected memory. Highly hypnotizable participants were more accurate in recall and recognition. In Experiment 2, suggestions were delivered in the form of feedback. Participants heard a positive or negative suggestion about their performance prior to either the encoding or retrieval of 8 DRM lists. Neither accurate nor false memories were affected by the suggestion. Highly hypnotizable individuals recognized fewer critical lures if they received a negative suggestion about their performance. These results highlight the unusual role of hypnotizability in the creation of false memories.

  19. Enhanced Catalysis Activity in a Coordinatively Unsaturated Cobalt-MOF Generated via Single-Crystal-to-Single-Crystal Dehydration.

    Ren, Hai-Yun; Yao, Ru-Xin; Zhang, Xian-Ming


    Hydrothermal reaction of Co(NO3)2 and terphenyl-3,2",5",3'-tetracarboxyate (H4tpta) generated Co3(OH)2 chains based 3D coordination framework Co3(OH)2(tpta)(H2O)4 (1) that suffered from single-crystal-to-single-crystal dehydration by heating at 160 °C and was transformed into dehydrated Co3(OH)2(tpta) (1a). During the dehydration course, the local coordination environment of part of the Co atoms was transformed from saturated octahedron to coordinatively unsaturated tetrahedron. Heterogenous catalytic experiments on allylic oxidation of cyclohexene show that dehydrated 1a has 6 times enhanced catalytic activity than as-synthesized 1 by using tert-butyl hydroperoxide (t-BuOOH) as oxidant. The activation energy for the oxidation of cylcohexene with 1a catalyst was 67.3 kJ/mol, far below the value with 1 catalysts, which clearly suggested that coordinatively unsaturated Co(II) sites in 1a have played a significant role in decreasing the activation energy. It is interestingly found that heterogeneous catalytic oxidation of cyclohexene in 1a not only gives the higher conversion of 73.6% but also shows very high selectivity toward 2-cyclohexene-1-one (ca. 64.9%), as evidenced in high turnover numbers (ca. 161) based on the open Co(II) sites of 1a catalyst. Further experiments with a radical trap indicate a radical chain mechanism. This work demonstrates that creativity of coordinatively unsaturated metal sites in MOFs could significantly enhance heterogeneous catalytic activity and selectivity.

  20. Social motor coordination in unaffected relatives of schizophrenia patients: A potential intermediate phenotype

    Jonathan eDel-Monte


    Full Text Available Intermediate endophenotypes emerge as an important concept in the study of schizophrenia. Although research on phenotypes mainly investigated cognitive, metabolic or neurophysiological markers so far, some authors also examined the motor behaviour anomalies as potential trait-marker of the disease. However, none of them investigated social motor coordination despite the importance of their anomalies in schizophrenia. The aim of this study was thus to determine whether coordination modifications previously demonstrated in schizophrenia are trait-markers that might be associated with the risk for this pathology. Interpersonal motor coordination in 27 unaffected first-degree relatives of schizophrenia patients and 27 healthy controls was assessed using a hand-held pendulum task to examine the presence of interpersonal coordination impairments in individuals at risk for the disorder. Measures of neurologic soft signs, clinical variables and neurocognitive functions were collected to assess the cognitive and clinical correlates of social coordination impairments in at-risk relatives. After controlling for potential confounding variables, unaffected relatives of schizophrenia patients had impaired intentional interpersonal coordination compared to healthy controls while unintentional interpersonal coordination was preserved. More specifically, in intentional coordination, the unaffected relatives of schizophrenia patients exhibited coordination patterns that had greater variability and in which relatives did not lead the coordination. These results show that unaffected relatives of schizophrenia patients also present deficits in intentional interpersonal coordination. For the first time, these results suggest that intentional interpersonal coordination impairments might be a potential motor intermediate endophenotype of schizophrenia opening new perspectives for early diagnosis.

  1. Simulator Sickness: Reaction to a Transformed Perceptual World. 2. Sourcebook and Suggested Readings


    attended, the greater the distortion will be. Thus, a pilot performing a turn on a spot to the left may observe that a fence post or telephone pole...aircraft systems in order to avoid accidents. If it can be shown that either anthropometry or convention dictates a good and less-than-good design...a turn on a spot to the left, may observe that a fence post or telephone pole which slants about fifteen degrees to the left, grad- ually approaches

  2. Hypersensitivity reactions to metallic implants-diagnostic algorithm and suggested patch test series for clinical use

    Schalock, Peter C; Menné, Torkil; Johansen, Jeanne D


    algorithm to guide the selection of screening allergen series for patch testing is provided. At a minimum, an extended baseline screening series and metal screening is necessary. Static and dynamic orthopaedic implants, intravascular stent devices, implanted defibrillators and dental and gynaecological...

  3. Interrogative suggestibility and perceptual motor performance.

    Gudjonsson, G H


    This study investigates the relationship between interrogative suggestibility, as measured by the Gudjonsson Suggestibility Scale, and Arrow-Dot scores. The tendency of subjects (25 men and 25 women, mean age 30.2 yr.) to alter their answers once interpersonal pressure had been applied correlated significantly with poor Arrow-Dot Ego functioning.

  4. Query term suggestion in academic search

    Verberne, S.; Sappelli, M.; Kraaij, W.


    In this paper, we evaluate query term suggestion in the context of academic professional search. Our overall goal is to support scientists in their information seeking tasks. We set up an interactive search system in which terms are extracted from clicked documents and suggested to the user before e

  5. Query term suggestion in academic search

    Verberne, S.; Sappelli, M.; Kraaij, W.


    In this paper, we evaluate query term suggestion in the context of academic professional search. Our overall goal is to support scientists in their information seeking tasks. We set up an interactive search system in which terms are extracted from clicked documents and suggested to the user before

  6. Maltreated Children's Memory: Accuracy, Suggestibility, and Psychopathology

    Eisen, Mitchell L.; Goodman, Gail S.; Qin, Jianjian; Davis, Suzanne; Crayton, John


    Memory, suggestibility, stress arousal, and trauma-related psychopathology were examined in 328 3- to 16-year-olds involved in forensic investigations of abuse and neglect. Children's memory and suggestibility were assessed for a medical examination and venipuncture. Being older and scoring higher in cognitive functioning were related to fewer…

  7. Solving Einstein's Equations With Dual Coordinate Frames

    Scheel, M A; Lindblom, L; Pfeiffer, H P; Rinne, O; Teukolsky, S A; Kidder, Lawrence E.; Lindblom, Lee; Pfeiffer, Harald P.; Rinne, Oliver; Scheel, Mark A.; Teukolsky, Saul A.


    A method is introduced for solving Einstein's equations using two distinct coordinate systems. The coordinate basis vectors associated with one system are used to project out components of the metric and other fields, in analogy with the way fields are projected onto an orthonormal tetrad basis. These field components are then determined as functions of a second independent coordinate system. The transformation to the second coordinate system can be thought of as a mapping from the original ``inertial'' coordinate system to the computational domain. This dual-coordinate method is used to perform stable numerical evolutions of a black-hole spacetime using the generalized harmonic form of Einstein's equations in coordinates that rotate with respect to the inertial frame at infinity; such evolutions are found to be generically unstable using a single rotating coordinate frame. The dual-coordinate method is also used here to evolve binary black-hole spacetimes for several orbits. The great flexibility of this met...

  8. Growing string method with interpolation and optimization in internal coordinates: method and examples.

    Zimmerman, Paul M


    The growing string method (GSM) has proven especially useful for locating chemical reaction paths at low computational cost. While many string methods use Cartesian coordinates, these methods can be substantially improved by changes in the coordinate system used for interpolation and optimization steps. The quality of the interpolation scheme is especially important because it determines how close the initial path is to the optimized reaction path, and this strongly affects the rate of convergence. In this article, a detailed description of the generation of internal coordinates (ICs) suitable for use in GSM as reactive tangents and in string optimization is given. Convergence of reaction paths is smooth because the IC tangent and orthogonal directions are better representations of chemical bonding compared to Cartesian coordinates. This is not only important quantitatively for reducing computational cost but also allows reaction paths to be described with smoothly varying chemically relevant coordinates. Benchmark computations with challenging reactions are compared to previous versions of GSM and show significant speedups. Finally, a climbing image scheme is included to improve the quality of the transition state approximation, ensuring high reliability of the method.

  9. Managing Coordinator, Educational or Entrepreneurial Coordinator: Course Coordinator Profile Analysis at Private HEIS

    Mariana Augusta de Araújo Silva


    Full Text Available Higher Education dynamics is impacted by political, economic and financial interference. In parallel, the Ministry of Education and Culture (MEC is strict in its reviews to ensure Brazilian higher education is appreciated and promoted. The purpose of this study is to identify the profile of Course Coordinators and factors that might improve, at the surveyed HEIs, this professional´s relationship with students, teaching staff and Directors. Literature was searched and reviewed so as to collect subject matter pertaining issues. A quantitative research approach was employed and objectives were of exploratory descriptive nature since this technique ensures extended comprehension of the investigated phenomenon, whilst data was gathered via personal interviews. The object of investigation comprised all Course Coordinators of the Estácio/Natal Group in Brazil´s four units. The survey´s tool comprises: 13 closed questions to identify the Coordinator´s profile; 17 questions with a 5 point Likert score scale to identify the entrepreneurial profile; 42 also resorting to a 5 point Likert score scale to measure the dimensions of the Coordinator´s activities and 4 open, optional questions to measure difficulties and possibilities that impact the development of an entrepreneurial course management approach. The study employed both a statistical method (data analysis and descriptive statistics. Findings lead to the conclusion that information and knowledge gathered support researched HEIs in their overcoming of challenges, amongst which encouraging strategic course management and innovation, focused on implementing a new vision of the Course Coordinator, as professionals that master how to balance management and pedagogical skills, whilst innovating by resorting to entrepreneurial competencies.

  10. Do Environmental Education School Coordinators Have a Mission?

    Šimonová Petra


    Full Text Available Teachers who are specialized in environmental education (environmental education school coordinators1 can play an important role in empowering students to shape a sustainable future. In this study, the authors examined a group of Czech environmental education school coordinators. The authors aimed to clarify how they interpret their role at their respective schools, how they perceive their self-efficacy, and what they observe as benefits and barriers to their work as a coordinator. They conducted a qualitative study with focus groups and completed individual in-depth interviews with the coordinators. The results suggest that the coordinators view their work as a mission. The ultimate goal of this mission is to change the children’s behavior to make it more pro-environmental, and, at the same time, to establish this effort as a commitment of the whole school. The authors identified different forms of mission, described development in time and connected them with the perceived self-efficacy of the coordinators.

  11. Age and sex influences on running mechanics and coordination variability.

    Boyer, Katherine A; Freedman Silvernail, Julia; Hamill, Joseph


    The purpose of this study was to examine the impact of age on running mechanics separately for male and female runners and to quantify sex differences in running mechanics and coordination variability for older runners. Kinematics and kinetics were captured for 20 younger (10 male) and 20 older (10 male) adults running overground at 3.5 m · s(-1). A modified vector coding technique was used to calculate segment coordination variability. Lower extremity joint angles, moments and segment coordination variability were compared between age and sex groups. Significant sex-age interaction effects were found for heel-strike hip flexion and ankle in/eversion angles and peak ankle dorsiflexion angle. In older adults, mid-stance knee flexion angle, ankle inversion and abduction moments and hip abduction and external rotation moments differed by sex. Older compared with younger females had reduced coordination variability in the thigh-shank transverse plane couple but greater coordination variability for the shank rotation-foot eversion couple in early stance. These results suggest there may be a non-equivalent aging process in the movement mechanics for males and females. The age and sex differences in running mechanics and coordination variability highlight the need for sex-based analyses for future studies examining injury risk with age.

  12. Preservation of perceptual integration improves temporal stability of bimanual coordination in the elderly: an evidence of age-related brain plasticity.

    Blais, Mélody; Martin, Elodie; Albaret, Jean-Michel; Tallet, Jessica


    Despite the apparent age-related decline in perceptual-motor performance, recent studies suggest that the elderly people can improve their reaction time when relevant sensory information are available. However, little is known about which sensory information may improve motor behaviour itself. Using a synchronization task, the present study investigates how visual and/or auditory stimulations could increase accuracy and stability of three bimanual coordination modes produced by elderly and young adults. Neurophysiological activations are recorded with ElectroEncephaloGraphy (EEG) to explore neural mechanisms underlying behavioural effects. Results reveal that the elderly stabilize all coordination modes when auditory or audio-visual stimulations are available, compared to visual stimulation alone. This suggests that auditory stimulations are sufficient to improve temporal stability of rhythmic coordination, even more in the elderly. This behavioural effect is primarily associated with increased attentional and sensorimotor-related neural activations in the elderly but similar perceptual-related activations in elderly and young adults. This suggests that, despite a degradation of attentional and sensorimotor neural processes, perceptual integration of auditory stimulations is preserved in the elderly. These results suggest that perceptual-related brain plasticity is, at least partially, conserved in normal aging.

  13. The Human-Body-in-Coordination as Perceptual Instrument

    Harrison Steven J.


    Full Text Available Recent evidence suggests that the human body in locomotor coordination performs dual roles, acting to propel the body over the surface of support, and embodying haptic information arising from and specific to the movement of the body as a whole with respect to the substrate. Here we show that blindfolded human subjects, trained to crawl using gait patterns that differed in the spatio-temporal symmetries defined with respect to the arms and legs in coordination, perceived distance travelled quadrupedally. These results suggest that 1 the body in coordination gives rise to a haptic measure of how one is moving through the world relative to the substrate and 2 that the measure that results is specific to the softly assembled global organization of the locomotor action system.


    L. V. Kapilevich


    Full Text Available Learn a special coordinating pair of motor actions in athletes engaged sport ballroom dancing, depending on gender and sportsmanship. The results suggest that beginners dominated coordination, performed individually, while the highly skilled dancers better developed coordination, carried out in pairs. Athletes average individual coordination disturbed by the emergence of sex differences build movements and coordination pair is not formed. The asymmetry of the coordination abilities manifested in the predominance of the deviation from equilibrium (to the right of men and to the left – in women. In this case, the athletes of low and medium level of skill to maintain the leading element of balance and coordination is the visual analyzer, while the skilled dancers defining role goes to the vestibular apparatus.

  15. Coordination and metalation bifunctionality of Cu with 5,10,15,20-tetra(4-pyridyl)porphyrin: toward a mixed-valence two-dimensional coordination network.

    Li, Yang; Xiao, Jie; Shubina, Tatyana E; Chen, Min; Shi, Ziliang; Schmid, Martin; Steinrück, Hans-Peter; Gottfried, J Michael; Lin, Nian


    We investigated the coordination self-assembly and metalation reaction of Cu with 5,10,15,20-tetra(4-pyridyl)porphyrin (2HTPyP) on a Au(111) surface by means of scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory calculations. 2HTPyP was found to interact with Cu through both the peripheral pyridyl groups and the porphyrin core. Pairs of pyridyl groups from neighboring molecules coordinate Cu(0) atoms, which leads to the formation of a supramolecular metal-organic coordination network. The network formation occurs at room temperature; annealing at 450 K enhances the process. The interaction of Cu with the porphyrin core is more complex. At room temperature, formation of an initial complex Cu(0)-2HTPyP is observed. Annealing at 450 K activates an intramolecular redox reaction, by which the coordinated Cu(0) is oxidized to Cu(II) and the complex Cu(II)TPyP is formed. The coordination network consists then of Cu(II) complexes linked by Cu(0) atoms; that is, it represents a mixed-valence two-dimensional coordination network consisting of an ordered array of Cu(II) and Cu(0) centers. Above 520 K, the network degrades and the Cu atoms in the linking positions diffuse into the substrate, while the Cu(II)TPyP complexes form a close-packed structure that is stabilized by weak intermolecular interactions. Density functional theory investigations show that the reaction with Cu(0) proceeds via formation of an initial complex between metal atom and porphyrin followed by formation of Cu(II) porphyrin within the course of the reaction. The activation barrier of the rate limiting step was found to be 24-37 kcal mol(-1) depending on the method used. In addition, linear coordination of a Cu atom by two CuTPyP molecules is favorable according to gas-phase calculations. © 2012 American Chemical Society

  16. Supply Chain Reorganization and Coordination

    WANG Feng-bin


    Three generic forms of governance--hierarchy, hybrid and market are proposed in the newinstitutional economics, giving an abstract description of alternative coordination and control mechanisms forgeneral use. While this theory is known as far away from being operational and specified, a few researchersin the management and organization area are trying to extend Galbraith and/or Mintzberg's organizationaldesign theories into the application of logistical coordination for obtaining a smooth flow of products along thesupply chain within and without the focal organization. In this paper, we present an explorative case study onthe design of various organizational architectures of logistics activities and their relevant coordinationmechanisms, especially internal and external contracts as one new kind of hybrid mechanisms forcoordinating effective supply chains.

  17. [Transplant coordinator: organ donation process].

    Gironés-Guillem, Purificación; Camaño-Puig, Ramón; Lillo-Crespo, Manuel


    Spain is a leader in organ donations although it seems that this number does not increase in the same proportion that the waiting list and it is necessary to decrease the refusal situations, which are ~16%. Analytic study. We review the reports prepared by the coordinators of transplants archived at the hospital La Fe during the period between May 1, 2004 and December 31, 2007, resulting in conceptualization and categorization. Sixty-nine topics were obtained from the point of view of the family and 11 from the point of view of the interviewer. After its conceptualization, codification and classification, we proceeded to create an appropriate text. Certain guidelines may be offered that allow us to standardize the action of transplant coordinators during the interview and to be more effective.


    Martin HROMÁDKA


    Full Text Available Both low cost carriers ‘fresh wind’ and liberalisation of ground handling market makes airlines to be cost-wise in every single field. Thus, ground handling contract are cutting down in terms of their costs. Handling companies struggle with pressure being put from the market environment, they rush 25 minutes turnaround with couple of people. This can be potentially dangerous from the safety point of view. One of possible solutions seems to be introducing turnaround coordinator, person who would supervise the ramp handling procedures. This paper discusses the role of turnaround coordinator within the aircraft turnaround process. Duties and responsibilities of this person are described. However, not every airport is staffing this position. The survey shows that smaller airports pay much more attention to this issue than the big ones.

  19. Porphyrin coordination polymer nanospheres and nanorods

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.


    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  20. Porphyrin coordination polymer nanospheres and nanorods

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.


    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  1. Suggestions for Preview in Learning English

    Sun Na


    Among the factors which affect the efficiency of learning English, preview stands out as an increasingly significant one in English studying.Some constructive suggestions about the preview are given to apply in the preview of English.

  2. FDA Suggests Limits on Lead in Cosmetics

    ... page: FDA Suggests Limits on Lead in Cosmetics Agency notes ... the authority to enforce such a limit, the FDA recommended in a draft guidance issued Thursday that ...

  3. LSD enhances suggestibility in healthy volunteers.

    Carhart-Harris, R L; Kaelen, M; Whalley, M G; Bolstridge, M; Feilding, A; Nutt, D J


    Lysergic acid diethylamide (LSD) has a history of use as a psychotherapeutic aid in the treatment of mood disorders and addiction, and it was also explored as an enhancer of mind control. The present study sought to test the effect of LSD on suggestibility in a modern research study. Ten healthy volunteers were administered with intravenous (i.v.) LSD (40-80 μg) in a within-subject placebo-controlled design. Suggestibility and cued mental imagery were assessed using the Creative Imagination Scale (CIS) and a mental imagery test (MIT). CIS and MIT items were split into two versions (A and B), balanced for 'efficacy' (i.e. A ≈ B) and counterbalanced across conditions (i.e. 50 % completed version 'A' under LSD). The MIT and CIS were issued 110 and 140 min, respectively, post-infusion, corresponding with the peak drug effects. Volunteers gave significantly higher ratings for the CIS (p = 0.018), but not the MIT (p = 0.11), after LSD than placebo. The magnitude of suggestibility enhancement under LSD was positively correlated with trait conscientiousness measured at baseline (p = 0.0005). These results imply that the influence of suggestion is enhanced by LSD. Enhanced suggestibility under LSD may have implications for its use as an adjunct to psychotherapy, where suggestibility plays a major role. That cued imagery was unaffected by LSD implies that suggestions must be of a sufficient duration and level of detail to be enhanced by the drug. The results also imply that individuals with high trait conscientiousness are especially sensitive to the suggestibility-enhancing effects of LSD.

  4. Resolution enhancement in tilted coordinates

    Hariri Naghadeh, Diako; Keith Morley, Christopher


    Deconvolution is applied to remove source wavelet effects from seismograms. The results are resolution enhancement that enables detection of thin layers. Following enhancement of resolution, low frequency and high angle reflectors, particularly at great depth, appear as low amplitude and semi-invisible reflectors that are difficult to track and pick. A new approach to enhance resolution is introduced that estimates a derivative using continuous wavelet transform in tilted coordinates. The results are compared with sparse spike deconvolution, curvelet deconvolution and inverse quality filtering in wavelet domain. The positive consequence of the new method is to increase sampling of high dip features by changing the coordinate system from Cartesian to tilted. To compare those methods a complex data set was chosen that includes high angle faults and chaotic mass transport complex. Image enhancement using curvelet deconvolution shows a chaotic system as a non-chaotic one. The results show that sparse spike deconvolution and inverse quality filtering in wavelet domain are able to enhance resolution more than curvelet deconvolution especially at great depth but it is impossible to follow steep dip reflectors after resolution enhancement using these methods, especially when their apparent dips are more than 45°. By estimating derivatives in a continuous wavelet transform from tilted data sets similar resolution enhancement as the other deconvolution methods is achieved but additionally steep dipping reflectors are imaged much better than others. Subtracted results of the enhanced resolution data set using new method and the other introduced methods show that steeply dipping reflectors are highlighted as a particular ability of the new method. The results show that high frequency recovery in Cartesian co-ordinate is accompanied by inability to image steeply dipping reflectors especially at great depths. Conversely recovery of high frequency data and imaging of the data


    Saeideh MIRAFKHAMI


    Full Text Available ObjectiveIn this article, a motor skill disorder called developmental coordination disorder (DCD, that is usually first diagnosed during childhood, is explained and discussed. In the year 1987, DCD was formally recognized as a distinct disorder in children by the American Psychiatric Association  (APA. DCD is a generalized term for the children who have some degrees of impairment in the development of motor coordination and therefore have difficulties with physical skills which significantly interfere with their academic achievements and /or performing everyday activities. As they develop, other age-related tasks are also below average. Because these impairment & conditions are often associated with emotional distress, they can seriously interfere with the person's everyday life and social relationships. Reviews indicate that most of the training rocedures have only a limited effect on the development of general coordination, and that they have no effect at all on academic progress.This includes approaches based on assumed underlying deficiencies such as sensory integration deficits and kinesthetic functioning deficits, as well as the more traditional perceptual - motor training. One new approach is Cognitive Orientation to daily Occupational Performance (CO-OP, based on problem - solving strategies and guided discovery of the child and task specific strategies. The aim of this article was to inform, promote and disseminate more information about some difficulties in applying the diagnostic criteria for DCD. Also, a brief review of the researches on the intervention methods is presented.Keywords: Developmental coordination disorder, Motor skills disorder, Childhood disorder, Intervention methods

  6. Coordination strategies of crew management

    Conley, Sharon; Cano, Yvonne; Bryant, Don


    An exploratory study that describes and contrasts two three-person flight crews performing in a B-727 simulator is presented. This study specifically attempts to delineate crew communication patterns accounting for measured differences in performance across routine and nonroutine flight patterns. The communication patterns in the two crews evaluated indicated different modes of coordination, i.e., standardization in the less effective crew and planning/mutual adjustment in the more effective crew.

  7. Coordination strategies of crew management

    Conley, Sharon; Cano, Yvonne; Bryant, Don


    An exploratory study that describes and contrasts two three-person flight crews performing in a B-727 simulator is presented. This study specifically attempts to delineate crew communication patterns accounting for measured differences in performance across routine and nonroutine flight patterns. The communication patterns in the two crews evaluated indicated different modes of coordination, i.e., standardization in the less effective crew and planning/mutual adjustment in the more effective crew.

  8. The functional anatomy of suggested limb paralysis.

    Deeley, Quinton; Oakley, David A; Toone, Brian; Bell, Vaughan; Walsh, Eamonn; Marquand, Andre F; Giampietro, Vincent; Brammer, Michael J; Williams, Steven C R; Mehta, Mitul A; Halligan, Peter W


    Suggestions of limb paralysis in highly hypnotically suggestible subjects have been employed to successfully model conversion disorders, revealing similar patterns of brain activation associated with attempted movement of the affected limb. However, previous studies differ with regard to the executive regions involved during involuntary inhibition of the affected limb. This difference may have arisen as previous studies did not control for differences in hypnosis depth between conditions and/or include subjective measures to explore the experience of suggested paralysis. In the current study we employed functional magnetic resonance imaging (fMRI) to examine the functional anatomy of left and right upper limb movements in eight healthy subjects selected for high hypnotic suggestibility during (i) hypnosis (NORMAL) and (ii) attempted movement following additional left upper limb paralysis suggestions (PARALYSIS). Contrast of left upper limb motor function during NORMAL relative to PARALYSIS conditions revealed greater activation of contralateral M1/S1 and ipsilateral cerebellum, consistent with the engagement of these regions in the completion of movements. By contrast, two significant observations were noted in PARALYSIS relative to NORMAL conditions. In conjunction with reports of attempts to move the paralysed limb, greater supplementary motor area (SMA) activation was observed, a finding consistent with the role of SMA in motor intention and planning. The anterior cingulate cortex (ACC, BA 24) was also significantly more active in PARALYSIS relative to NORMAL conditions - suggesting that ACC (BA 24) may be implicated in involuntary, as well as voluntary inhibition of prepotent motor responses.

  9. Understanding chemical binding using the Berlin function and the reaction force

    Chakraborty, Debajit; Cárdenas, Carlos; Echegaray, Eleonora; Toro-Labbe, Alejandro; Ayers, Paul W.


    We use the derivative of the electron density with respect to the reaction coordinate, interpreted through the Berlin binding function, to identify portions of the reaction path where chemical bonds are breaking and forming. The results agree with the conventional description for SN2 reactions, but they are much more general and can be used to elucidate other types of reactions also. Our analysis offers support for, and detailed information about, the use of the reaction force profile to separate the reaction coordinates into intervals, each with characteristic extents of geometry change and electronic rearrangement.

  10. Coordinate unsaturation with fluorinated ligands

    Rack, J.L.; Hurlburt, P.K.; Anderson, O.P.; Strauss, S.H. [Colorado State Univ., Ft. Collins, CO (United States)


    The preparation and characterization of Zn(OTeF{sub 5}){sub 2} has resulted in a model compound with which to explore the concept of coordinative unsaturation. The coordination of solvents of varying donicity and dielectric constant to the Zn(II) ions in Zn(OTeF{sub 5}){sub 2} was studied by vapor phase monometry, NMR and IR spectroscopy, conductimetry, and X-Ray crystallography. The structures of [Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 2}(OTeF{sub 5})2]2 and Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 3}(OTEF{sub 5}){sub 2} demonstrate the electronic flexibility of some weakly coordinating solvents in that nitrobenzene can function as either an {eta}{sup 1}O or {eta}{sup 2}O,O`-ligand. The dependence of the number of bound solvent molecules and the degree of OTeF{sub 5}{minus} dissociation on solvent donor number and dielectric constant will be presented.


    Saeideh MIRAFKHAMI


    Full Text Available ObjectiveIn this article, a motor skill disorder called developmental coordination disorder (DCD, that is usually first diagnosed during childhood, is explained and discussed. In the year 1987, DCD was formally recognized as a distinct disorder in children by the American Psychiatric Association (APA. DCD is a generalized term for the children who have some degrees of impairment in the development of motor coordination and therefore have difficulties with physical skills which significantly interfere with their academic achievements and /or performing everyday activities. As they develop, other age-related tasks are also below average. Because these impairment & conditions are often associated with emotional distress, they can seriously interfere with the person's everyday life and social relationships. Reviews indicate that most of the training rocedures have only a limited effect on the development of general coordination, and that they have no effect at all on academic progress.This includes approaches based on assumed underlying deficiencies such as sensory integration deficits and kinesthetic functioning deficits, as well as the more traditional perceptual - motor training. One new approach is Cognitive Orientation to daily Occupational Performance (CO-OP, based on problem - solving strategies and guided discovery of the child and task specific strategies. The aim of this article was to inform, promote and disseminate more information about some difficulties in applying the diagnostic criteria for DCD. Also, a brief review of the researches on the intervention methods is presented.

  12. Central metal ion exchange in a coordination polymer based on lanthanide ions and di(2-ethylhexyl)phosphoric acid: exchange rate and tunable affinity.

    Tasaki-Handa, Yuiko; Abe, Yukie; Ooi, Kenta; Tanaka, Mikiya; Wakisaka, Akihiro


    In this paper the exchange of lanthanide(III) ions (Ln(3+)) between a solution and a coordination polymer (CP) of di(2-ethylhexyl)phosphoric acid (Hdehp), [Ln(dehp)3], is studied. Kinetic and selectivity studies suggest that a polymeric network of [Ln(dehp)3] has different characteristics than the corresponding monomeric complex. The reaction rate is remarkably slow and requires over 600 h to reach in nearly equilibrium, and this can be explained by the polymeric crystalline structure and high valency of Ln(3+). The affinity of the exchange reaction reaches a maximum with the Ln(3+) possessing an ionic radius 7% smaller than that of the central Ln(3+), therefore, the affinity of the [Ln(dehp)3] is tunable based on the choice of the central metal ion. Such unique affinity, which differs from the monomeric complex, can be explained by two factors: the coordination preference and steric strain caused by the polymeric structure. The latter likely becomes predominant for Ln(3+) exchange when the ionic radius of the ion in solution is smaller than the original Ln(3+) by more than 7%. Structural studies suggest that the incoming Ln(3+) forms a new phase though an exchange reaction, and this could plausibly cause the structural strain.

  13. Metal-ion effects on the polarization of metal-bound water and infrared vibrational modes of the coordinated metal center of Mycobacterium tuberculosis pyrazinamidase via quantum mechanical calculations.

    Salazar-Salinas, Karim; Baldera-Aguayo, Pedro A; Encomendero-Risco, Jimy J; Orihuela, Melvin; Sheen, Patricia; Seminario, Jorge M; Zimic, Mirko


    Mycobacterium tuberculosis pyrazinamidase (PZAse) is a key enzyme to activate the pro-drug pyrazinamide (PZA). PZAse is a metalloenzyme that coordinates in vitro different divalent metal cofactors in the metal coordination site (MCS). Several metals including Co(2+), Mn(2+), and Zn(2+) are able to reactivate the metal-depleted PZAse in vitro. We use quantum mechanical calculations to investigate the Zn(2+), Fe(2+), and Mn(2+) metal cofactor effects on the local MCS structure, metal-ligand or metal-residue binding energy, and charge distribution. Results suggest that the major metal-dependent changes occur in the metal-ligand binding energy and charge distribution. Zn(2+) shows the highest binding energy to the ligands (residues). In addition, Zn(2+) and Mn(2+) within the PZAse MCS highly polarize the O-H bond of coordinated water molecules in comparison with Fe(2+). This suggests that the coordination of Zn(2+) or Mn(2+) to the PZAse protein facilitates the deprotonation of coordinated water to generate a nucleophile for catalysis as in carboxypeptidase A. Because metal ion binding is relevant to enzymatic reaction, identification of the metal binding event is important. The infrared vibrational mode shift of the C═Nε (His) bond from the M. tuberculosis MCS is the best IR probe to metal complexation.

  14. Reaction mechanism of -acylhydroxamate with cysteine proteases

    R Shankar; P Kolandaivel


    The gas-phase reaction mechanism of -acylhydroxamate with cysteine proteases has been investigated using ab initio and density functional theory. On the irreversible process, after breakdown of tetrahedral intermediate (INT1), small 1-2 anionotropic has been formed and rearranged to give stable by-products sulfenamide (P1) and thiocarbamate (P2) with considerable energy loss. While, on the reversible part of this reaction mechanism, intermediate (INT2) breaks down on oxidation, to form a stable product (P3). Topological and AIM analyses have been performed for hydrogen bonded complex in this reaction profile. Intrinsic reaction coordinates [IRC, minimum-energy path (MEP)] calculation connects the transition state between R-INT1, INT1-P1 and INT1-P2. The products P1, P2 and P3 are energetically more stable than the reactant and hence the reaction enthalpy is found to be exothermic.

  15. Is there a link between sensorimotor coordination and inter-manual coordination? Differential effects of auditory and/or visual rhythmic stimulations.

    Blais, Mélody; Albaret, Jean-Michel; Tallet, Jessica


    The purpose of this study was to test how the sensory modality of rhythmic stimuli affects the production of bimanual coordination patterns. To this aim, participants had to synchronize the taps of their two index fingers with auditory and visual stimuli presented separately (auditory or visual) or simultaneously (audio-visual). This kind of task requires two levels of coordination: (1) sensorimotor coordination, which can be measured by the mean asynchrony between the beat of the stimulus and the corresponding tap and by mean asynchrony stability, and (2) inter-manual coordination, which can be assessed by the accuracy and stability of the relative phase between the right-hand and left-hand taps. Previous studies show that sensorimotor coordination is better during the synchronization with auditory or audio-visual metronomes than with visual metronome, but it is not known whether inter-manual coordination is affected by stimulation modalities. To answer this question, 13 participants were required to tap their index fingers in synchrony with the beat of auditory and/or visual stimuli specifying three coordination patterns: two preferred inphase and antiphase patterns and a non-preferred intermediate pattern. A first main result demonstrated that inphase tapping had the best inter-manual stability, but the worst asynchrony stability. The second main finding revealed that for all patterns, audio-visual stimulation improved the stability of sensorimotor coordination but not of inter-manual coordination. The combination of visual and auditory modalities results in multisensory integration, which improves sensorimotor coordination but not inter-manual coordination. Both results suggest that there is dissociation between processes underlying sensorimotor synchronization (anticipation or reactivity) and processes underlying inter-manual coordination (motor control). This finding opens new perspectives to evaluate separately the possible sensorimotor and inter

  16. Magnetic and Photochromic Properties of a Manganese(II) Metal-Zwitterionic Coordination Polymer.

    Gong, Teng; Yang, Xiao; Sui, Qi; Qi, Yan; Xi, Fu-Gui; Gao, En-Qing


    The solvothermal reaction of Mn(ClO4)2, NaN3, and a rigid viologen-tethered tetracarboxylic acid (1,1'-bis(3,5-dicarboxyphenyl)-4,4'-bipyridinium chloride, [H4L]Cl2) led to a coordination polymer of formula [Mn4(L)(N3)6(H2O)2]n. X-ray analysis revealed a 3D coordination structure. The Mn(II) ions are connected by mixed azide and carboxylate bridges to give 2D layers, which are pillared by the viologen tether of the zwitterionic ligand. Magnetic analyses suggested that the compound features antiferromagnetism and field-induced metamagnetism. The compound also shows photochromic and photomagnetic properties. The long-range magnetic ordering is owed to the spin-canting structure of the Mn(II)-azide-carboxylate layer; the photochromism involves the formation of viologen radicals via photoinduced electron transfer, and the photomagnetism is related to the interactions between the metal ion and the photogenerated radicals. The study demonstrates a strategy for the design of new multifunctional materials with photoresponsive properties.

  17. Globin X is a six-coordinate globin that reduces nitrite to nitric oxide in fish red blood cells

    Corti, Paola; Xue, Jianmin; Tejero, Jesús; Wajih, Nadeem; Sun, Ming; Stolz, Donna B.; Tsang, Michael; Kim-Shapiro, Daniel B.; Gladwin, Mark T.


    The discovery of novel globins in diverse organisms has stimulated intense interest in their evolved function, beyond oxygen binding. Globin X (GbX) is a protein found in fish, amphibians, and reptiles that diverged from a common ancestor of mammalian hemoglobins and myoglobins. Like mammalian neuroglobin, GbX was first designated as a neuronal globin in fish and exhibits six-coordinate heme geometry, suggesting a role in intracellular electron transfer reactions rather than oxygen binding. Here, we report that GbX to our knowledge is the first six-coordinate globin and the first globin protein apart from hemoglobin, found in vertebrate RBCs. GbX is present in fish erythrocytes and exhibits a nitrite reduction rate up to 200-fold faster than human hemoglobin and up to 50-fold higher than neuroglobin or cytoglobin. Deoxygenated GbX reduces nitrite to form nitric oxide (NO) and potently inhibits platelet activation in vitro, to a greater extent than hemoglobin. Fish RBCs also reduce nitrite to NO and inhibit platelet activation to a greater extent than human RBCs, whereas GbX knockdown inhibits this nitrite-dependent NO signaling. The description of a novel, six-coordinate globin in RBCs with dominant electron transfer and nitrite reduction functionality provides new insights into the evolved signaling properties of ancestral heme-globins. PMID:27407144

  18. Understanding confounding effects in linguistic coordination: an information-theoretic approach

    Gao, Shuyang; Galstyan, Aram


    We suggest an information-theoretic approach for measuring linguistic style coordination in dialogues. The proposed measure has a simple predictive interpretation and can account for various confounding factors through proper conditioning. We revisit some of the previous studies that reported strong sig- natures of stylistic accommodation, and find that a significant part of the observed coordination can be attributed to a simple confounding effect - length coordination. Specifically, longer utterances tend to be followed by longer responses, which gives rise to spurious correlations in the other stylistic features. We propose a test to distinguish correlations in length due to contextual factors (topic of conversation, user verbosity, etc.) and turn-by-turn coordination. We also suggest a test to identify whether stylistic coordination persists even after accounting for length coordination and contextual factors.

  19. Impulsivity, self-control, and hypnotic suggestibility.

    Ludwig, V U; Stelzel, C; Krutiak, H; Prunkl, C E; Steimke, R; Paschke, L M; Kathmann, N; Walter, H


    Hypnotic responding might be due to attenuated frontal lobe functioning after the hypnotic induction. Little is known about whether personality traits linked with frontal functioning are associated with responsiveness to hypnotic suggestions. We assessed whether hypnotic suggestibility is related to the traits of self-control and impulsivity in 154 participants who completed the Brief Self-Control Scale, the Self-Regulation Scale, the Barratt Impulsiveness Scale (BIS-11), and the Harvard Group Scale of Hypnotic Susceptibility (HGSHS:A). BIS-11 non-planning impulsivity correlated positively with HGSHS:A (Bonferroni-corrected). Furthermore, in the best model emerging from a stepwise multiple regression, both non-planning impulsivity and self-control positively predicted hypnotic suggestibility, and there was an interaction of BIS-11 motor impulsivity with gender. For men only, motor impulsivity tended to predict hypnotic suggestibility. Hypnotic suggestibility is associated with personality traits linked with frontal functioning, and hypnotic responding in men and women might differ. Copyright © 2013 Elsevier Inc. All rights reserved.

  20. Understanding how animal groups achieve coordinated movement.

    Herbert-Read, J E


    Moving animal groups display remarkable feats of coordination. This coordination is largely achieved when individuals adjust their movement in response to their neighbours' movements and positions. Recent advancements in automated tracking technologies, including computer vision and GPS, now allow researchers to gather large amounts of data on the movements and positions of individuals in groups. Furthermore, analytical techniques from fields such as statistical physics now allow us to identify the precise interaction rules used by animals on the move. These interaction rules differ not only between species, but also between individuals in the same group. These differences have wide-ranging implications, affecting how groups make collective decisions and driving the evolution of collective motion. Here, I describe how trajectory data can be used to infer how animals interact in moving groups. I give examples of the similarities and differences in the spatial and directional organisations of animal groups between species, and discuss the rules that animals use to achieve this organisation. I then explore how groups of the same species can exhibit different structures, and ask whether this results from individuals adapting their interaction rules. I then examine how the interaction rules between individuals in the same groups can also differ, and discuss how this can affect ecological and evolutionary processes. Finally, I suggest areas of future research.

  1. The coordination of Mg in foraminiferal calcite

    Branson, Oscar; Redfern, Simon A. T.; Tyliszczak, Tolek; Sadekov, Aleksey; Langer, Gerald; Kimoto, Katsunori; Elderfield, Henry


    The Mg/Ca ratio of foraminiferal calcite is a widely accepted and applied empirical proxy for ocean temperature. The analysis of foraminifera preserved in ocean sediments has been instrumental in developing our understanding of global climate, but the mechanisms behind the proxy are largely unknown. Analogies have been drawn to the inorganic precipitation of calcite, where the endothermic substitution of Mg for Ca is favoured at higher temperatures. However, evidence suggests that foraminiferal Mg incorporation may be more complex: foraminiferal magnesium is highly heterogeneous at the sub-micron scale, and high Mg areas coincide with elevated concentrations of organic molecules, Na, S and other trace elements. Fundamentally, the incorporation mode of Mg in foraminifera is unknown. Here we show that Mg is uniformly substituted for Ca within the calcite mineral lattice. The consistency of Mg-specific X-ray spectra gathered from nano-scale regions across the shell (‘test’) reveals that the coordination of Mg is uniform. The similarity of these spectra to that produced by dolomite shows that Mg is present in an octahedral coordination, ideally substituted for Ca in a calcite crystal structure. This demonstrates that Mg is heterogeneous in concentration, but not in structure. The degree of this uniformity implies the action of a continuous Mg incorporation mechanism, and therefore calcification mechanism, across these compositional bands in foraminifera. This constitutes a fundamental step towards a mechanistic understanding of foraminiferal calcification processes and the incorporation of calcite-bound palaeoenvironment proxies, such as Mg.

  2. A novel 2D (3,5)-connected coordination framework with Zn 2(COO) 3 SBU

    Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na


    A novel 2D Zn(II)-organic coordination framework, [Zn 2(hfipbb) 2] n ( 1) (hfipbb = 4,4'-(hexafluoroisopropylidene)bis(benzoate)), has been synthesized under hydrothermal reaction. Single-crystal X-ray diffraction revealed that 1 is a (3,5)-connected coordination network based on Zn 2(COO) 3 secondary building unit and flexible V-shaped organic linkers. The luminescent property and thermal stability of 1 have also been investigated.

  3. Variables Influencing Teacher Autonomy, Administrative Coordination, and Collaboration

    Prichard, Caleb; Moore, Jana E.


    Purpose: Schools often vary in how they balance teacher autonomy (TA) and administrative control, and research suggests that there may be several context-specific variables which may be influential. The purpose of this paper is to determine the influence of program variables on the level of TA, administrative coordination, and administration-staff…

  4. Roadside Judgments in Children with Developmental Co-ordination Disorder

    Purcell, Catherine; Wann, John P.; Wilmut, Kate; Poulter, Damian


    As pedestrians, the perceptual ability to accurately judge the relative rate of approaching vehicles and select a suitable crossing gap requires sensitivity to looming. It also requires that crossing judgments are synchronized with motoric capabilities. Previous research has suggested that children with Developmental Co-ordination Disorder (DCD)…

  5. Mirror black and white holes from generalized Kruskal coordinates

    Nieto, Juan Antonio; Aguilar, José Edgar Madriz


    By introducing generalized Kruskal coordinates in the typical Schwazschild black hole metric solution we obtain a new kind of metric solutions that can be interpreted as mirror black and white holes. We found that this new type of mirror black and white holes solutions in $(3+1)$-dimensions suggest that the original space-time can be extended to $(4+4)$-signature.

  6. Variables Influencing Teacher Autonomy, Administrative Coordination, and Collaboration

    Prichard, Caleb; Moore, Jana E.


    Purpose: Schools often vary in how they balance teacher autonomy (TA) and administrative control, and research suggests that there may be several context-specific variables which may be influential. The purpose of this paper is to determine the influence of program variables on the level of TA, administrative coordination, and administration-staff…

  7. Coordination of Passive Systems under Quantized Measurements

    De Persis, Claudio; Jayawardhana, Bayu


    In this paper we investigate a passivity approach to collective coordination and synchronization problems in the presence of quantized measurements and show that coordination tasks can be achieved in a practical sense for a large class of passive systems.

  8. Energy shaping for coordinating internally actuated vehicles


    This paper considers the stable coordination problem of two vehicles equipping with internal moving mass actuators.The coordinating and stabilizing control are derived by energy shaping. The proposed method is physically motivated and avoids cancelation or domination of nonlinearities.

  9. Evidence against a single coordinate system representation in the motor cortex.

    Wu, Wei; Hatsopoulos, Nicholas


    Understanding the coordinate systems in which the motor cortical cells encode movement parameters such as direction is a fundamental yet unresolved issue. Although many studies have assumed that motor cortex encodes direction in an extrinsic, Cartesian (CA) coordinate system, other studies have provided evidence for encoding in intermediate coordinate systems such as a shoulder-centered (SC) or in a purely intrinsic, joint-angle-based (JA) coordinate frame. By simultaneously recording from multiple single units in primary motor cortex, we examined movement direction encoding under each of these three coordinate systems. We directly compared the degree of directional tuning invariance over multiple sub-regions in the workspace. We also compared the mutual information between neuronal firing rate and movement direction in the three systems. We observed a broad range of directional invariance in all three coordinate systems with no strong dominance of any single coordinate system. The mutual information analyses corroborated this observation. However, we found a small but significant bias toward the SC coordinate frame, which was also supported by population vector decoding. Similar results were found when we compared hand/torque force direction encoding in all three coordinate systems. These results suggest that the motor cortex employs a coordinate system that is yet to be discovered or perhaps that the motor cortex should not be viewed as a substrate for any coordinate system representation.

  10. Dressed coordinates: The path-integral approach

    Casana, R.; Flores-Hidalgo, G.; Pimentel, B. M.


    The recently introduced dressed coordinates are studied in the path-integral approach. These coordinates are defined in the context of a harmonic oscillator linearly coupled to massless scalar field and it is shown that in this model the dressed coordinates appear as a coordinate transformation preserving the path-integral functional measure. The analysis also generalizes the sum rules established in a previous work.

  11. Noncommuting Coordinates in the Landau Problem

    Magro, Gabrielle


    Basic ideas about noncommuting coordinates are summarized, and then coordinate noncommutativity, as it arises in the Landau problem, is investigated. I review a quantum solution to the Landau problem, and evaluate the coordinate commutator in a truncated state space of Landau levels. Restriction to the lowest Landau level reproduces the well known commutator of planar coordinates. Inclusion of a finite number of Landau levels yields a matrix generalization.

  12. Suggestions for Structuring a Research Article

    Klein, James D.; Reiser, Robert A.


    Researchers often experience difficulty as they attempt to prepare journal articles that describe their work. The purpose of this article is to provide researchers in the field of education with a series of suggestions as to how to clearly structure each section of a research manuscript that they intend to submit for publication in a scholarly…

  13. Three Suggestions to Improve Medical English Teaching



    As a kind of ESP,medical English teaching has an important impact on both English teachers and medical students.A good medical English teaching can help the medical students to improve themselves smoothly and easily in the medical area.In this article,three suggestions were provided for the medical English teachers to improve their English teaching in medical field.

  14. Integrating Composition and Literature: Some Practical Suggestions.

    Daiker, Donald A.

    This paper suggests that it is possible to construct a course that integrates the teaching of composition with the teaching of literature without allowing the secondary goal of heightened literary understanding to overwhelm the primary goal of improved expository writing. It presents a syllabus for a four-week unit on Ernest Hemingway's "The Sun…

  15. Suggestions on Training MTI Translators and Interpreters



    This article gives a brief review of the current state of training MTI translators and interpreters.After analyzing the problems that exist in course of the training,the author,as a student of MTI,puts forth some suggestions to improve the MTI training in colleges and universities to train practical translators and interpreters from the point of view of learning.

  16. Cable Television Report and Suggested Ordinance.

    League of California Cities, Sacramento.

    Guidelines and suggested ordinances for cable television regulation by local governments are comprehensively discussed in this report. The emphasis is placed on franchising the cable operator. Seventeen legal aspects of franchising are reviewed, and an exemplary ordinance is presented. In addition, current statistics about cable franchising in…

  17. BJUT at TREC 2015 Contextual Suggestion Track


    of Technology, Beijing 100124, China 2. Beijing Key Laboratory of Trusted Computing, Beijing 100124, China 3. National Engineering Laboratory for...CTISCP, Beijing 100124, China ⇤ Abstract In this paper we described our efforts for TREC contextual suggestion task. Our goal of this

  18. Leadership Theories--Managing Practices, Challenges, Suggestions

    Hawkins, Cheryl


    A shortage of community college executives due to the number of retirements occurring among current leaders is predicted. An examination of three leadership theories--servant-leadership, business leadership and transformational leadership--suggests techniques for potential community college leaders. Servant-leaders focus on the needs of their…

  19. Physics Courses--Some Suggested Case Studies

    Swetman, T. P.


    To communicate the relevance and excitement of science activity to students, the use of more imaginative, and even openly speculative, case studies in physics courses is suggested. Some useful examples are Magnetic Monopoles, Constants, Black Holes, Antimatter, Zero Mass Particles, Tachyons, and the Bootstrap Hypothesis. (DF)

  20. Overview of the SBS 2016 Suggestion Track

    Koolen, Marijn; Bogers, Toine; Jaap, Kamps


    The goal of the SBS 2016 Suggestion Track is to evaluate approaches for supporting users in searching collections of books who express their information needs both in a query and through example books. The track investigates the complex nature of relevance in book search and the role of traditional...

  1. Studies and Suggestions on Prewriting Activities

    Zheng, Shigao; Dai, Weiping


    This paper studies and suggests the need for writing instruction by which students can experience writing as a creative process in exploring and communicating meaning. The prewriting activities generate ideas which can encourage a free flow of thoughts and help students discover both what they want to say and how to say it on paper. Through the…

  2. Qualitative Research Articles: Guidelines, Suggestions and Needs

    Crescentini, Alberto; Mainardi, Giuditta


    Purpose: The purpose of this paper is to give ideas and suggestions to avoid some typical problems of qualitative articles. The aim is not to debate quality in qualitative research but to indicate some practical solutions. Design/methodology/approach: The paper discusses the design of qualitative research and the structure of a qualitative article…

  3. Teaching Software Engineering: Problems and Suggestions

    Osama Shata


    Full Text Available Teaching Software Engineering is a challenging task. This paper presents some problems encountered during teaching the course of software engineering to computer science and computer engineering students for few offerings. We present problems encountered and which are related to its title and contents and present suggested solutions.

  4. The outer-coordination sphere: incorporating amino acids and peptides as ligands for homogeneous catalysts to mimic enzyme function

    Shaw, Wendy J.


    Great progress has been achieved in the field of homogeneous transition metal-based catalysis, however, as a general rule these solution based catalysts are still easily outperformed, both in terms of rates and selectivity, by their analogous enzyme counterparts, including structural mimics of the active site. This observation suggests that the features of the enzyme beyond the active site, i.e. the outer-coordination sphere, are important for their exceptional function. Directly mimicking the outer-coordination sphere requires the incorporation of amino acids and peptides as ligands for homogeneous catalysts. This effort has been attempted for many homogeneous catalysts which span the manifold of catalytic reactions and often require careful thought regarding solvent type, pH and characterization to avoid unwanted side reactions or catalyst decomposition. This article reviews the current capability of synthesizing and characterizing this often difficult category of metal-based catalysts. This work was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  5. 7 CFR 23.3 - Coordination.


    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Coordination. 23.3 Section 23.3 Agriculture Office of the Secretary of Agriculture STATE AND REGIONAL ANNUAL PLANS OF WORK State Program § 23.3 Coordination... designate an official who will be responsible for the overall coordination of the authorized programs...

  6. 47 CFR 74.638 - Frequency coordination.


    ... frequency coordinated under this paragraph, the interference protection criteria in 47 CFR 101.105(a), (b), and (c) and the frequency usage coordination procedures in 47 CFR 101.103(d) will apply. (c) For each... 47 Telecommunication 4 2010-10-01 2010-10-01 false Frequency coordination. 74.638 Section...

  7. 47 CFR 87.305 - Frequency coordination.


    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license... prior coordinations and assignments on the proposed frequency(ies). The committee must also...

  8. 47 CFR 27.57 - International coordination.


    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false International coordination. 27.57 Section 27.57... COMMUNICATIONS SERVICES Technical Standards § 27.57 International coordination. (a) WCS operations in the border areas shall be subject to coordination with those countries and provide protection to non-U.S...

  9. 42 CFR 38.1 - Purpose; coordination.


    ... 42 Public Health 1 2010-10-01 2010-10-01 false Purpose; coordination. 38.1 Section 38.1 Public... DISASTER ASSISTANCE FOR CRISIS COUNSELING AND TRAINING § 38.1 Purpose; coordination. (a) Purpose. This part... providing those professional counseling services. (b) Coordination. The Secretary, acting through the...

  10. 45 CFR 98.82 - Coordination.


    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Coordination. 98.82 Section 98.82 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION CHILD CARE AND DEVELOPMENT FUND Indian Tribes § 98.82 Coordination. Tribal applicants shall coordinate as required by §§ 98.12 and 98.14 and: (a) To...

  11. Construction and minimality of coordinated linear systems

    Kempker, P.L.; Ran, A.C.M.; Schuppen, J.H. van


    Coordinated linear systems are a particular class of hierarchical systems with a top-to-bottom information structure, consisting of a coordinator system and two or more subsystems. This paper deals with the construction and minimality of coordinated linear systems. Construction procedures are given

  12. 45 CFR 1310.23 - Coordinated transportation.


    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Coordinated transportation. 1310.23 Section 1310... START PROGRAM HEAD START TRANSPORTATION Special Requirements § 1310.23 Coordinated transportation. (a) Each agency providing transportation services must make reasonable efforts to coordinate...

  13. 36 CFR 13.1104 - Coordinates.


    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Coordinates. 13.1104 Section 13.1104 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR... Administrative Provisions § 13.1104 Coordinates. All coordinates referenced in this subpart use horizontal...

  14. 33 CFR 166.103 - Geographic coordinates.


    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 166.103...) PORTS AND WATERWAYS SAFETY SHIPPING SAFETY FAIRWAYS General § 166.103 Geographic coordinates. Geographic coordinates expressed in terms of latitude or longitude, or both, are not intended for plotting on maps...

  15. 33 CFR 167.3 - Geographic coordinates.


    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 167.3...) PORTS AND WATERWAYS SAFETY OFFSHORE TRAFFIC SEPARATION SCHEMES General § 167.3 Geographic coordinates. Geographic coordinates are defined using North American 1927 Datum (NAD 27) unless indicated otherwise....

  16. Managing interteam coordination within and between organizations

    de Vries, Thomas Arend


    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’ langu

  17. 78 FR 34035 - Forest Resource Coordinating Committee


    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee will meet via teleconference every month on... conference call will be posted to the Forest Resource Coordinating Committee Web site,

  18. 78 FR 57128 - Forest Resource Coordinating Committee


    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee Meeting will meet in Rosslyn, Virginia. The... inspect comments received on the Forest Resource Coordinating Committee Web site at

  19. 78 FR 44519 - Forest Resource Coordinating Committee


    ... Office of the Secretary Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice; Re-establishment of the Forest Resource Coordinating Committee and call for nominations. SUMMARY: The Department of Agriculture re-established the Forest Resource Coordinating Committee (Committee...

  20. Is fiscal policy coordination in EMU desirable?

    R.M.W.J. Beetsma; X. Debrun; F.J.G.M. Klaassen


    'It is widely argued that Europe's unified monetary policy calls for international coordination of fiscal policy. This paper surveys the issues involved with the coordination of fiscal policies as a demand management tool. We discuss ex-ante and ex-post coordination. The former operates through bind

  1. 49 CFR 214.325 - Train coordination.


    ... 49 Transportation 4 2010-10-01 2010-10-01 false Train coordination. 214.325 Section 214.325..., DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination. Working limits established by a roadway worker through the use of train coordination shall comply with the...

  2. Coordination in serial-parallel image processing

    Wójcik, Waldemar; Dubovoi, Vladymyr M.; Duda, Marina E.; Romaniuk, Ryszard S.; Yesmakhanova, Laura; Kozbakova, Ainur


    Serial-parallel systems used to convert the image. The control of their work results with the need to solve coordination problem. The paper summarizes the model of coordination of resource allocation in relation to the task of synchronizing parallel processes; the genetic algorithm of coordination developed, its adequacy verified in relation to the process of parallel image processing.

  3. 77 FR 778 - Council Coordination Committee Meeting


    ... National Oceanic and Atmospheric Administration RIN 0648-XA918 Council Coordination Committee Meeting...), Commerce. ACTION: Notice of a public meeting. SUMMARY: NMFS will host a meeting of the Council Coordination... Reauthorization Act (MSRA) of 2006 established the Council Coordination Committee by amending Section 302 (16...

  4. Cationic zinc (II) dimers and one dimensional coordination polymer from ionic carboxylic acid

    Paladugu Suresh; Ganesan Prabusankar


    A rare example of chelating two tetra cationic paddle-wheel zinc dimers were synthesized from the reaction between flexible imidazolium carboxylate (LH2Br2) and corresponding zinc precursors. A zinc coordination polymer was synthesised by treating in situ generation of 2 in the presence of 4,4′-bipyridine. These new molecules, dimers and polymer, were characterized by FT-IR, NMR, UV-vis, fluorescent and single crystal X-ray diffraction techniques. Zinc polymer is the first example of 1D coordination polymer constructed by tetra cationic zinc dimer as a secondary building unit in coordination polymer.

  5. Coordinated hybrid automatic repeat request

    Makki, Behrooz


    We develop a coordinated hybrid automatic repeat request (HARQ) approach. With the proposed scheme, if a user message is correctly decoded in the first HARQ rounds, its spectrum is allocated to other users, to improve the network outage probability and the users\\' fairness. The results, which are obtained for single- and multiple-antenna setups, demonstrate the efficiency of the proposed approach in different conditions. For instance, with a maximum of M retransmissions and single transmit/receive antennas, the diversity gain of a user increases from M to (J+1)(M-1)+1 where J is the number of users helping that user.

  6. Application coordination in pervasive systems

    Majuntke, Verena Elisabeth


    Pervasive applications are designed to support users in their daily life. For this purpose, applications interact with their environment, i.e. their context. They are able to adapt themselves to context changes or to explicitly change the context via actuators. If multiple applications are executed in the same context, interferences are likely to occur. To manage interferences, a coordination framework is presented in this thesis. Interferences are detected using a context model and information about applications' interaction with the context. The resolution of interference is achieved through

  7. Simple nonlinear models suggest variable star universality

    Lindner, John F; Kia, Behnam; Hippke, Michael; Learned, John G; Ditto, William L


    Dramatically improved data from observatories like the CoRoT and Kepler spacecraft have recently facilitated nonlinear time series analysis and phenomenological modeling of variable stars, including the search for strange (aka fractal) or chaotic dynamics. We recently argued [Lindner et al., Phys. Rev. Lett. 114 (2015) 054101] that the Kepler data includes "golden" stars, whose luminosities vary quasiperiodically with two frequencies nearly in the golden ratio, and whose secondary frequencies exhibit power-law scaling with exponent near -1.5, suggesting strange nonchaotic dynamics and singular spectra. Here we use a series of phenomenological models to make plausible the connection between golden stars and fractal spectra. We thereby suggest that at least some features of variable star dynamics reflect universal nonlinear phenomena common to even simple systems.

  8. Cajal's brief experimentation with hypnotic suggestion.

    Stefanidou, Maria; Solà, Carme; Kouvelas, Elias; del Cerro, Manuel; Triarhou, Lazaros C


    Spanish histologist Santiago Ramón y Cajal, one of the most notable figures in Neuroscience, and winner, along with Camillo Golgi, of the 1906 Nobel Prize in Physiology or Medicine for his discoveries on the structure of the nervous system, did not escape experimenting with some of the psychiatric techniques available at the time, mainly hypnotic suggestion, albeit briefly. While a physician in his thirties, Cajal published a short article under the title, "Pains of labour considerably attenuated by hypnotic suggestion" in Gaceta Médica Catalana. That study may be Cajal's only documented case in the field of experimental psychology. We here provide an English translation of the original Spanish text, placing it historically within Cajal's involvement with some of the key scientific and philosophical issues at the time.

  9. Straw-based coordinate muon chamber

    Peshekhonov, V; Myalkovskiy, V; Russakovich, N; Zhukov, I


    The article considers a prototype module with sensitive dimensions of 2 x 0.5 m2 based on 2 m long straw tubes which preserves its geometrical dimensions up to the pressure of 4 bar independently of the ambient temperature and humidity. The suggested technique provides a possibility of constructing relatively low-cost planar modules by using straw tubes as long as needed for constructing large area detectors at colliders or other field experiments by assembling them in a common coordinate detector with a user-specified acceptance. The distinguishing feature of a detector is its good radiation hardness, low radiation thickness and a possibility of optimizing the detector operation mode in a large range of gas pressure.

  10. Reaction routes leading to CO2 and CO in the Briggs-Rauscher oscillator: analogies between the oscillatory BR and BZ reactions.

    Muntean, Norbert; Szabó, Gabriella; Wittmann, Maria; Lawson, Thuy; Fülöp, János; Noszticzius, Zoltán; Onel, Lavinia


    With Fenton-type experiments, it is shown that the intense CO2/CO evolution in the Briggs-Rauscher (BR) reaction is due to decarboxylation/decarbonylation of organic free radicals. The metal ion applied in the Fenton-type experiments was Fe2+ or Ti3+ or Mn2+ combined with H2O2 or S2O(8)(2-) as a peroxide, whereas the organic substrate was malonic acid (MA) or a 1:1 mixture of MA and iodomalonic acid (IMA). Experiments with a complete BR system applying MA or the MA/IMA mixture indicate that practically all CO2 and CO comes from IMA. The decarboxylation/decarbonylation mechanisms of various iodomalonyl radicals can be analogous to that of the bromomalonyl radicals studied already in the Belousov-Zhabotinsky (BZ) reaction. It is found that an intense CO2/CO evolution requires the simultaneous presence of H2O2, IO3-, Mn2+, and IMA. It is suggested that the critical first step of this complex reaction takes place in the coordination sphere of Mn2+. That first step can initiate a chain reaction where organic and hydroperoxyl radicals are the chain carriers. A chain reaction was already found in a BZ oscillator as well. Therefore, the analogies between the BR and BZ oscillators are due to the fact that in both mechanisms, free radicals and, in most cases, also transition-metal complexes play an important role.

  11. [Suggestions to improve dentist-endodontist collaboration].

    Zabalegui, B; Zabalegui, I; Flores, L


    Referrals from the general dentist to the endodontist are in some occasions complicated with lack of proper communication among dentist-patient-specialist, resulting in the loss of confidence or even the patient. Suggestions to improve this communication are discussed, which will provide the patient a higher confidence in the indicated endodontic treatment and a better dental service. It will also enhance the prestige of the general dentists' and specialists' practice.

  12. Pyridoxine dependent epilepsy: a suggestive electroclinical pattern


    AIMS—To determine if there is an electroencephalographic pattern suggestive of pyridoxine dependent epilepsy that could be used to improve the chances of early diagnosis.
METHODS—A retrospective study was made of all the clinical records and electroencephalograms of neonates identified with pyridoxine dependent seizures between 1983 and 1994, at this hospital. Neonates whose seizures began after more than 28 days of life were excluded; in all, five patients from four fami...

  13. Suggestions for Improving Translation Teaching Methods



    In the traditional translation teaching mode, the teacher is the main body of classroom, the teachers often explain too much and give few opportunities to students to practice. Even in terms of observation and evaluation of translation, it is also basically teacher-centered, so there is rare opportunity and time for students to debate and to express their own views. So the author gives some suggestions on solving this problem.

  14. Geometrical product specifications. Datums and coordinate systems

    Glukhov, V. I.; Ivleva, I. A.; Zlatkina, O. Y.


    The work is devoted to the relevant topic such as the technical products quality improvement due to the geometrical specifications accuracy. The research purpose is to ensure the quality indicators on the basis of the systematic approach to the values normalization and geometrical specifications accuracy in the workpiece coordinate systems in the process of design. To achieve the goal two tasks are completed such as the datum features classification according to the number of linear and angular freedom degrees constraints, called the datums informativeness, and the rectangular coordinate systems identification, materialized by workpiece datums sets. The datum features informativeness characterizes the datums functional purpose to limit product workpiece linear and angular degrees of freedom. The datum features informativeness numerically coincides with the kinematic pairs classes and couplings in mechanics. The datum features informativeness identifies the coordinate system without the location redundancy. Each coordinate plane of a rectangular coordinate system has different informativeness 3 + 2 + 1. Each coordinate axis also has different informativeness 4+2+Θ (zero). It is possible to establish the associated workpiece position with three linear and three angular coordinates relative to two axes with the informativeness 4 and 2. is higher, the more informativeness of the coordinate axis or a coordinate plane is, the higher is the linear and angular coordinates accuracy, the coordinate being plotted along the coordinate axis or plane. The systematic approach to the geometrical products specifications positioning in coordinate systems is the scientific basis for a natural transition to the functional dimensions of features position - coordinating dimensions and the size of the features form - feature dimensions of two measures: linear and angular ones. The products technical quality improving is possible due to the coordinate systems introduction materialized by

  15. Six-fold Coordinated Carbon Dioxide VI

    Iota, V; Yoo, C; Klepeis, J; Jenei, Z


    Under standard conditions, carbon dioxide (CO{sub 2}) is a simple molecular gas and an important atmospheric constituent while silicon dioxide (SiO{sub 2}) is a covalent solid, and represents one of the fundamental minerals of the planet. The remarkable dissimilarity between these two group IV oxides is diminished at higher pressures and temperatures as CO{sub 2} transforms to a series of solid phases, from simple molecular to a fully covalent extended-solid V, structurally analogous to SiO{sub 2} tridymite. Here, we present the discovery of a new extended-solid phase of carbon dioxide (CO{sub 2}): a six-fold coordinated stishovite-like phase VI, obtained by isothermal compression of associated CO{sub 2}-II above 50GPa at 530-650K. Together with the previously reported CO{sub 2}-V and a-carbonia, this new extended phase indicates a fundamental similarity between CO{sub 2}--a prototypical molecular solid, and SiO{sub 2}--one of Earth's fundamental building blocks. The phase diagram suggests a limited stability domain for molecular CO{sub 2}-I, and proposes that the conversion to extended-network solids above 40-50 GPa occurs via intermediate phases II, III, and IV. The crystal structure of phase VI suggests strong disorder along the caxis in stishovite-like P4{sub 2}/mnm, with carbon atoms manifesting an average six-fold coordination within the framework of sp{sup 3} hybridization.

  16. Visuomotor transformations for eye-hand coordination.

    Henriques, D Y P; Medendorp, W P; Khan, A Z; Crawford, J D


    In recent years the scientific community has come to appreciate that the early cortical representations for visually guided arm movements are probably coded in a visual frame, i.e. relative to retinal landmarks. While this scheme accounts for many behavioral and neurophysiological observations, it also poses certain problems for manual control. For example, how are these oculocentric representations updated across eye movements, and how are they then transformed into useful commands for accurate movements of the arm relative to the body? Also, since we have two eyes, which is used as the reference point in eye-hand alignment tasks like pointing? We show that patterns of errors in human pointing suggest that early oculocentric representations for arm movement are remapped relative to the gaze direction during each saccade. To then transform these oculocentric representations into useful commands for accurate movements of the arm relative to the body, the brain correctly incorporates the three-dimensional, rotary geometry of the eyes when interpreting retinal images. We also explore the possibility that the eye-hand coordination system uses a strategy like ocular dominance, but switches alignment between the left and right eye in order to maximize eye-hand coordination in the best field of view. Finally, we describe the influence of eye position on eye-hand alignment, and then consider how head orientation influences the linkage between oculocentric visual frames and bodycentric motor frames. These findings are framed in terms of our 'conversion-on-demand' model, which suggests a virtual representation of egocentric space, i.e. one in which only those representations selected for action are put through the complex visuomotor transformations required for interaction with actual objects in personal space.

  17. Urticarial Reaction Caused by Ethanol

    Yukinobu Nakagawa


    Discussion: Only acetic acid, a metabolite of alcohol, induced a positive prick test in the patient with alcohol-induced urticaria. This result was not observed in normal volunteers. An oral challenge test with diluted-alcohol or Shochu showed a positive wheal reaction in a dose dependent-manner which suggests that urticaria seen in this patient might be induced by alcohol-intolerance. However possible allergic reaction to acetaldehyde could not be excluded.

  18. Attitude coordination of multiple spacecraft for space debris surveillance

    Felicetti, Leonard; Emami, M. Reza


    This paper discusses the attitude coordination of a formation of multiple spacecraft for space debris surveillance. Off-the-shelf optical sensors and reaction wheels, with limited field of view and control torque, respectively, are considered to be used onboard the spacecraft for performing the required attitude maneuvers to detect and track space debris. The sequence of attitude commands are planned by a proposed algorithm, which allows for a dynamic team formation, as well as performing suitable maneuvers to eventually point towards the same debris. A control scheme based on the nonlinear state dependent Riccati equation is designed and applied to the space debris surveillance mission scenario, and its performance is compared with those of the classic linear quadratic regulator and quaternion feedback proportional derivative controllers. The viability and performance of the coordination algorithm and the controllers are validated through numerical simulations.

  19. Global Materials Structure Search with Chemically Motivated Coordinates.

    Panosetti, Chiara; Krautgasser, Konstantin; Palagin, Dennis; Reuter, Karsten; Maurer, Reinhard J


    Identification of relevant reaction pathways in ever more complex composite materials and nanostructures poses a central challenge to computational materials discovery. Efficient global structure search, tailored to identify chemically relevant intermediates, could provide the necessary first-principles atomistic insight to enable a rational process design. In this work we modify a common feature of global geometry optimization schemes by employing automatically generated collective curvilinear coordinates. The similarity of these coordinates to molecular vibrations enhances the generation of chemically meaningful trial structures for covalently bound systems. In the application to hydrogenated Si clusters, we concomitantly observe a significantly increased efficiency in identifying low-energy structures and exploit it for an extensive sampling of potential products of silicon-cluster soft landing on Si(001) surfaces.

  20. Studies on the Coordination Polymer of Copper Electropolyurushiol


    The coordination polymer of copper electropolyurushiol(EPU-Cu2+) was obtained by the reaction of copper chloride with electropolyurushiol (EPU) in an isopropyl alcohol solution. The properties of EPU-Cu2+ were studied by means of ESR, FTIR, XPS, DMTA and TG-DTA.The results of AES show that the content of Cu2+ was 8.63%. The electric resistances of EPUCu2+ and EPU were determined to be 9.37×1010Ω and 7.90×1010Ω respectively. It was also ascertained that in EPU-Cu2+ each Cu2+ is coordinated with two units hydroxyl in EPU, making the EPU-Cu2+ cross-link further. As a result, the title polymer exhibits an insolubility in most of organic solutions, a higher glass transition temperature and thermal resistance.

  1. Ultrafast isomerization in a difluoroboryl-coordinated molecular switch

    Consani, Cristina; Berberich, Martin; Würthner, Frank; Brixner, Tobias


    Molecular switches based on light-induced isomerization cycles are promising materials for sensors and biomedical applications. Understanding the details of the isomerization photocycle and identifying the nuclear coordinates involved in the photoreaction are relevant topics. Here we characterize the cis → trans and trans → cis isomerization of a new type of BF2-coordinated azo-dye molecular switch by pump-probe spectroscopy. While cis → trans isomerization is ultrafast and proceeds via a conical intersection, the trans → cis photocycle is more complex and involves at least three reaction channels. Finally, we employ the vibrational wavepackets accompanying isomerization to infer information on the nuclear degrees of freedom involved in the photoreaction.

  2. Harmonic Vibrational Analysis in Delocalized Internal Coordinates.

    Jensen, Frank; Palmer, David S


    It is shown that a principal component analysis of a large set of internal coordinates can be used to define a nonredundant set of delocalized internal coordinates suitable for the calculation of harmonic vibrational normal modes. The selection of internal coordinates and the principal component analysis provide large degrees of freedom in extracting a nonredundant set of coordinates, and thus influence how the vibrational normal modes are described. It is shown that long-range coordinates may be especially suitable for describing low-frequency global deformation modes in proteins.

  3. Unpacking Coordination Benefits in Supply Networks

    Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai


    This paper examines how coordination among firms in supply networks generates benefits in the short and long terms for firms. It focuses on information technology (IT) and process improvement coordination. Analysis was performed on quantitative and qualitative data from a sample of SMEs in plastics...... manufacturing in Pennsylvania. Results indicate that coordination on both IT and process improvement leads to short- and long-term benefits. These relationships were mediated by the adoption of innovations (when coordinating on IT) and access to new capabilities (in process improvement coordination......). These results extend the understanding of how participation in supply networks benefits individual firms....

  4. Ytterbium Coordination Polymer with Four Different Coordination Numbers: The First Structural Characterization of Lanthanide Phthalate Complex

    WAN,Yong-Hong(万永红); JIN,Lin-Pei(金林培); WANG,Ke-Zhi(王科志)


    The novel ytterbium coordination polymer is a two-dimensional framework in which the central metal ions have four different coordination numhers and form four kinds of coordination polyhedra. The four kinds of coordination polyhedra connect into infinite chains by sharing oxygen atoms

  5. Factor structure of suggestibility revisited: new evidence for direct and indirect suggestibility

    Romuald Polczyk


    Full Text Available Background Yielding to suggestions can be viewed as a relatively stable individual trait, called suggestibility. It has been long proposed that there are two kinds of suggestible influence, and two kinds of suggestibility corresponding to them: direct and indirect. Direct suggestion involves overt unhidden influence, while indirect suggestion concerns influence that is hidden, and the participant does not know that the suggestibility is being measured. So far however, empirical evidence for the existence of the two factors has been scarce. In the present study, more sophisticated and reliable tools for measuring suggestibility were applied than in the previous research, in the hope that better measurement would reveal the factor structure of suggestibility. Two tests of direct suggestibility were used: the Harvard Group Scale of Hypnotic Susceptibility, Form A, measuring hypnotic susceptibility, and the Barber Suggestibility Scale, measuring non-hypnotic direct imaginative suggestibility. Three tests served to measure indirect suggestibility: the Sensory Suggestibility Scale, measuring indirect suggestibility relating to perception; the Gudjonsson Suggestibility Scale, measuring the tendency to yield to suggestive questions and changing answers after negative feedback; and the Emotional Dialogs Tests, measuring the tendency to perceive nonexistent aggression. Participants and procedure In sum, 115 participants were tested, 69 women, 49 men, mean age 22.20 years, SD = 2.20. Participants were tested in two sessions, lasting for a total of four hours. Results Confirmatory factor analyses confirmed the existence of two uncorrelated factors of suggestibility: direct and indirect. Conclusions Suggestibility may indeed involve two factors, direct and indirect, and failure to discover them in previous research may be due to methodological problems.

  6. Models and Algorithms for Tracking Target with Coordinated Turn Motion

    Xianghui Yuan


    Full Text Available Tracking target with coordinated turn (CT motion is highly dependent on the models and algorithms. First, the widely used models are compared in this paper—coordinated turn (CT model with known turn rate, augmented coordinated turn (ACT model with Cartesian velocity, ACT model with polar velocity, CT model using a kinematic constraint, and maneuver centered circular motion model. Then, in the single model tracking framework, the tracking algorithms for the last four models are compared and the suggestions on the choice of models for different practical target tracking problems are given. Finally, in the multiple models (MM framework, the algorithm based on expectation maximization (EM algorithm is derived, including both the batch form and the recursive form. Compared with the widely used interacting multiple model (IMM algorithm, the EM algorithm shows its effectiveness.

  7. D Coordinate Transformation Using Artificial Neural Networks

    Konakoglu, B.; Cakır, L.; Gökalp, E.


    Two coordinate systems used in Turkey, namely the ED50 (European Datum 1950) and ITRF96 (International Terrestrial Reference Frame 1996) coordinate systems. In most cases, it is necessary to conduct transformation from one coordinate system to another. The artificial neural network (ANN) is a new method for coordinate transformation. One of the biggest advantages of the ANN is that it can determine the relationship between two coordinate systems without a mathematical model. The aim of this study was to investigate the performances of three different ANN models (Feed Forward Back Propagation (FFBP), Cascade Forward Back Propagation (CFBP) and Radial Basis Function Neural Network (RBFNN)) with regard to 2D coordinate transformation. To do this, three data sets were used for the same study area, the city of Trabzon. The coordinates of data sets were measured in the ED50 and ITRF96 coordinate systems by using RTK-GPS technique. Performance of each transformation method was investigated by using the coordinate differences between the known and estimated coordinates. The results showed that the ANN algorithms can be used for 2D coordinate transformation in cases where optimum model parameters are selected.

  8. Coordination Polymers of Palladium Bridged by Carboxylate and Dimethylaminoalkylselenolate Ligands.

    Paluru, Dilip K; Dey, Sandip; Wadawale, Amey P; Bhuvanesh, Nattamai; Grupp, Anita; Kaim, Wolfgang; Jain, Vimal K


    Coordination polymers of palladium stabilized by dimethylaminoalkylselenolate and carboxylate ligands are reported. The reaction of [PdCl(SeCH2 CH2 NMe2 )]3 with AgOTf followed by treatment with sodium acetate afforded [Pd(0) Pd(II) 4 (SeCH2 CH2 NMe2 )3 (OAc)3 ](OTf)2 (1) in which one of the Pd atoms is in the zero oxidation state. In the absence of NaOAc, a tetranuclear complex, [Pd(II) 4 (SeCH2 CH2 NMe2 )4 (OTf)](OTf)3 (2), is isolated from the same reaction. Subsequent treatment with NaO2 CR afforded [Pd4 (SeCH2 CH2 NMe2 )4 (O2 CR)4 ] (R=tBu (3) and Ph (4)). The reaction of [PdCl(SeCH2 CH2 CH2 NMe2 )]2 with AgOTf and NaOAc yielded an ionic binuclear complex, [Pd(II) 2 (SeCH2 CH2 CH2 NMe2 )2 (OAc)](OTf) (5). These complexes have been characterized by NMR spectroscopy, crystal structures, and in some cases by X-ray photoelectron spectroscopy, cyclic voltammetry and mass spectrometry. Complexes 1 and 5 are associated through secondary interactions and coordinate bonds, respectively, to generate polymeric structures in the solid state. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Reaction Kinetics of Nanostructured Silicon Carbide

    Wallis, Kendra; Zerda, T. W.


    Nanostructured silicon carbide (SiC) is of interest particularly for use in nanocomposites that demonstrate high hardness as well as for use in semiconductor applications. Reaction kinetics studies of solid-solid reactions are relatively recent and present a method of determining the reaction mechanism and activation energy by measuring reaction rates. We have used induction heating to heat quickly, thus reducing the error in reaction time measurements. Data will be presented for reactions using silicon nanopowder (melting point of silicon. Using the well-known Avrami-Erofeev model, a two-parameter chi- square fit of the data provided a rate constant (k) and parameter (n), related to the reaction mechanism, for each temperature. From these data, an activation energy of 138 kJ/mol was calculated. In addition, the parameter n suggests the reaction mechanism, which will also be discussed. Experiments are continuing at higher temperatures to consider the liquid- solid reaction as well.

  10. Didactic Experiments Suggest Enhanced Learning Outcomes

    Pals Svendsen, Lisbet


    The article discusses a didactic experiment carried out at an MA programme at The Copenhagen Business School. The experiment aimed at encouraging students to take charge of their learning processes via a course programme design that would motivate students to take an active part in choosing...... and presenting material in the language studied, just as they were encouraged to systematically use evaluation processes to enhance learning outcomes. Eventually, increased grade point averages suggested that the experiment was successful. The article also mentions subsequent revisions to the original format...

  11. Suggestions about Taxi Service in Beijing



    @@ No matter what kinds1 of work we are engaged in, we usually play the role of the customers2 in life. Maybe we offer service to our clients, but at the same time, we get service from other people. So, to the society3, it is very important of the level of the service occupations4. In this essay, I want to talk about the service of the taxi in Beijing5. Because there are some problems in this service occupation, I will give three suggestions to these problems6.

  12. Suggestions for Implementing Flipped Classroom in China



    Educators in the twenty-first century are constantly adopting new technologies and pedagogies. Flipped Classroom Model is one of the most promising approaches to transforming learning experiences, which has been applied to both K-12 edu-cation and higher education at home and abroad. Influenced by culture and learning styles, the effectiveness and concrete imple-mentation strategies of this teaching model is different in different countries. How to localize the model in China is an important question for educators to think about. The paper makes suggestions for implementing Flipped Classroom in China, aiming at helping teachers to flip their classrooms successfully.

  13. Responding to hypnotic and nonhypnotic suggestions: performance standards, imaginative suggestibility, and response expectancies.

    Meyer, Eric C; Lynn, Steven Jay


    This study examined the relative impact of hypnotic inductions and several other variables on hypnotic and nonhypnotic responsiveness to imaginative suggestions. The authors examined how imaginative suggestibility, response expectancies, motivation to respond to suggestions, and hypnotist-induced performance standards affected participants' responses to both hypnotic and nonhypnotic suggestions and their suggestion-related experiences. Suggestions were administered to 5 groups of participants using a test-retest design: (a) stringent performance standards; (b) lenient performance standards; (c) hypnosis test-retest; (d) no-hypnosis test-retest; and (e) no-hypnosis/hypnosis control. The authors found no support for the influence of a hypnotic induction or performance standards on responding to suggestions but found considerable support for the role of imaginative suggestibility and response expectancies in predicting responses to both hypnotic and nonhypnotic suggestions.

  14. Collaborative Supply Chain Planning and Coordination

    Wong, Chee Yew

    between the toy manufacturer and three European retailers. These three case studies provide evidences that the toy manufacturer and the retailers followed some particular patterns of planning coordination processes; they also practised some patterns of coordination behaviour during the coordination...... processes, particularly the behaviour of risk-taking/avoidance, conflict resolutions, and self-interest. All these lead to conclusion of five propositions or principles of supply chain coordination, and the theory of coordination process and behaviour. Combining the propositions of responsiveness......This thesis contains main results from an industrial PhD research in the areas of supply chain strategy, planning, and coordination. It applies the concepts of responsiveness and coordination to reduce mismatch of supply and demand, especially for a volatile and seasonal supply chain. It involves...

  15. Biases in rhythmic sensorimotor coordination: effects of modality and intentionality.

    Debats, Nienke B; Ridderikhoff, Arne; de Boer, Betteco J; Peper, C Lieke E


    Sensorimotor biases were examined for intentional (tracking task) and unintentional (distractor task) rhythmic coordination. The tracking task involved unimanual tracking of either an oscillating visual signal or the passive movements of the contralateral hand (proprioceptive signal). In both conditions the required coordination patterns (isodirectional and mirror-symmetric) were defined relative to the body midline and the hands were not visible. For proprioceptive tracking the two patterns did not differ in stability, whereas for visual tracking the isodirectional pattern was performed more stably than the mirror-symmetric pattern. However, when visual feedback about the unimanual hand movements was provided during visual tracking, the isodirectional pattern ceased to be dominant. Together these results indicated that the stability of the coordination patterns did not depend on the modality of the target signal per se, but on the combination of sensory signals that needed to be processed (unimodal vs. cross-modal). The distractor task entailed rhythmic unimanual movements during which a rhythmic visual or proprioceptive distractor signal had to be ignored. The observed biases were similar as for intentional coordination, suggesting that intentionality did not affect the underlying sensorimotor processes qualitatively. Intentional tracking was characterized by active sensory pursuit, through muscle activity in the passively moved arm (proprioceptive tracking task) and rhythmic eye movements (visual tracking task). Presumably this pursuit afforded predictive information serving the coordination process.

  16. On the spatial coordinate measurement of two identical particles

    Marchewka, Avi, E-mail: [8 Galei Tchelet St., Herzliya (Israel); Granot, Er' el, E-mail: [Department of Electrical and Electronics Engineering, Ariel University, Ariel (Israel); Schuss, Zeev, E-mail: [Department of Mathematics, Tel-Aviv University, Tel-Aviv, Ramat-Aviv, 69978 (Israel)


    Theoretically, the coordinate measurement of two identical particles at a point by two narrowly separated narrow detectors, is interpreted in the limit of shrinking width and separation, as the detection of two particles by a single narrow detector. Ordinarily, the ratio between probabilities of point measurements is independent of the width of the narrow detectors. We show here that not only this is not the case, but that in some scenarios the results depend on the way the dimensions shrink to zero. The ratio between the width and the separation determines the detection result. In particular, it is shown that the bunching parameter of bosons is not a well-defined physical property. Moreover, it may suggests that there is a difficulty in quantum measurement theory in the interpretation of coordinate measurement of two particles. - Highlights: • The coordinate measurement of two identical particles at a point is investigated. • A discrepancy in the realization of coordinate measurement of two bosons or fermions is shown. • The bunching parameter of bosons is not a well-defined physical property. • There is a problem in the interpretation of coordinate measurement of two particles.

  17. Urban Land Use Efficiency and Coordination in China

    Xiaodong Yang


    Full Text Available Due to the focused pursuit of economic growth in the process of the large-scale urban development of China, the phenomena of low land use efficiency and discordance of land use induce unwanted economic, social, and environmental costs. This paper presents a comprehensive study of urban land use efficiency and of the degree of land use coordination of 33 cities in China, using theoretical analysis, data envelopment analysis, principal component analysis, the coordination coefficient method, and four-quadrant analysis. The findings of this study suggest a gradually increasing proportion of land use efficiency from eastern to central and western regions of China, coinciding with China’s pattern of socioeconomic development. No correlation was found between high levels of urban land use efficiency and the degree of land use coordination; however, a significant correlation was found between low land use efficiency and low degrees of land use coordination. Rational land use planning and policy design can effectively improve both urban land use efficiency and coordination.

  18. Dinosaur Peptides Suggest Mechanisms of Protein Survival

    San Antonio, James D.; Schweitzer, Mary H.; Jensen, Shane T.; Kalluri, Raghu; Buckley, Michael; Orgel, Joseph P.R.O. (Harvard-Med); (IIT); (NCSU); (UPENN); (Manchester); (Orthovita)


    Eleven collagen peptide sequences recovered from chemical extracts of dinosaur bones were mapped onto molecular models of the vertebrate collagen fibril derived from extant taxa. The dinosaur peptides localized to fibril regions protected by the close packing of collagen molecules, and contained few acidic amino acids. Four peptides mapped to collagen regions crucial for cell-collagen interactions and tissue development. Dinosaur peptides were not represented in more exposed parts of the collagen fibril or regions mediating intermolecular cross-linking. Thus functionally significant regions of collagen fibrils that are physically shielded within the fibril may be preferentially preserved in fossils. These results show empirically that structure-function relationships at the molecular level could contribute to selective preservation in fossilized vertebrate remains across geological time, suggest a 'preservation motif', and bolster current concepts linking collagen structure to biological function. This non-random distribution supports the hypothesis that the peptides are produced by the extinct organisms and suggests a chemical mechanism for survival.

  19. Improving interprofessional coordination in Dutch midwifery and obstetrics: a qualitative study


    Background Coordination between the autonomous professional groups in midwifery and obstetrics is a key debate in the Netherlands. At the same time, it remains unclear what the current coordination challenges are. Methods To examine coordination challenges that might present a barrier to delivering optimal care, we conducted a qualitative field study focusing on midwifery and obstetric professional’s perception of coordination and on their routines. We undertook 40 interviews with 13 community midwives, 8 hospital-based midwives and 19 obstetricians (including two resident obstetricians), and conducted non-participatory observations at the worksite of these professional groups. Results We identified challenges in terms of fragmented organizational structures, different perspectives on antenatal health and inadequate interprofessional communication. These challenges limited professionals' coordinating capacity and thereby decreased their ability to provide optimal care. We also found that pregnant women needed to compensate for suboptimal coordination between community midwives and secondary caregivers by taking on an active role in facilitating communication between these professionals. Conclusions The communicative role that pregnant women play within coordination processes underlines the urgency to improve coordination. We recommend increasing multidisciplinary meetings and training, revising the financial reimbursement system, implementing a shared maternity notes system and decreasing the expertise gap between providers and clients. In the literature, communication by clients in support of coordination has been largely ignored. We suggest that studies include client communication as part of the coordination process. PMID:24731478

  20. Chest magnetic resonance imaging: a protocol suggestion

    Bruno Hochhegger


    Full Text Available Abstract In the recent years, with the development of ultrafast sequences, magnetic resonance imaging (MRI has been established as a valuable diagnostic modality in body imaging. Because of improvements in speed and image quality, MRI is now ready for routine clinical use also in the study of pulmonary diseases. The main advantage of MRI of the lungs is its unique combination of morphological and functional assessment in a single imaging session. In this article, the authors review most technical aspects and suggest a protocol for performing chest MRI. The authors also describe the three major clinical indications for MRI of the lungs: staging of lung tumors; evaluation of pulmonary vascular diseases; and investigation of pulmonary abnormalities in patients who should not be exposed to radiation.

  1. Chest magnetic resonance imaging: a protocol suggestion*

    Hochhegger, Bruno; de Souza, Vinícius Valério Silveira; Marchiori, Edson; Irion, Klaus Loureiro; Souza Jr., Arthur Soares; Elias Junior, Jorge; Rodrigues, Rosana Souza; Barreto, Miriam Menna; Escuissato, Dante Luiz; Mançano, Alexandre Dias; Araujo Neto, César Augusto; Guimarães, Marcos Duarte; Nin, Carlos Schuler; Santos, Marcel Koenigkam; Silva, Jorge Luiz Pereira e


    In the recent years, with the development of ultrafast sequences, magnetic resonance imaging (MRI) has been established as a valuable diagnostic modality in body imaging. Because of improvements in speed and image quality, MRI is now ready for routine clinical use also in the study of pulmonary diseases. The main advantage of MRI of the lungs is its unique combination of morphological and functional assessment in a single imaging session. In this article, the authors review most technical aspects and suggest a protocol for performing chest MRI. The authors also describe the three major clinical indications for MRI of the lungs: staging of lung tumors; evaluation of pulmonary vascular diseases; and investigation of pulmonary abnormalities in patients who should not be exposed to radiation. PMID:26811555



    IntroductionAmong the four skills,reading has been viewed as the most basic and useful skill for Chinese learners ofEnglish.Many college students will.after leaving their English class,come into contact largely(andsometimes solely)with the written form of the language.Therefore the instruction of reading has becomevery important in English teaching Although great developments have been made both in the linguisticand pragmatic fields of reading analysis.teaching Chinese students the specific skills of reading inEnglish is still a tough problem.Many English teachers have become more and more aware of theChinese students difficulties and more and more aware of how inefficient the traditional approach is inthe design of teaching materials and leaching methods.As a result,this paper is an attempt to analysesome current theoretical achievements and suggest a revised method for teaching Chinese students.

  3. Extant mammal body masses suggest punctuated equilibrium

    Mattila, Tiina M; Bokma, Folmer


    Is gradual microevolutionary change within species simultaneously the source of macroevolutionary differentiation between species? Since its first publication, Darwin's original idea that phenotypic differences between species develop gradually over time, as the accumulation of small selection-induced changes in successive generations has been challenged by palaeontologists claiming that, instead, new species quickly acquire their phenotypes to remain virtually unchanged until going extinct again. This controversy, widely known as the ‘punctuated equilibrium’ debate, remained unresolved, largely owing to the difficulty of distinguishing biological species from fossil remains. We analysed body masses of 2143 existing mammal species on a phylogeny comprising 4510 (i.e. nearly all) extant species to estimate rates of gradual (anagenetic) and speciational (cladogenetic) evolution. Our Bayesian estimates from mammals as well as separate sub-clades such as primates and carnivores suggest that gradual evolution is responsible for only a small part of body size variation between mammal species. PMID:18595835

  4. Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States.

    Kraka, Elfi; Cremer, Dieter


    Computational approaches to understanding chemical reaction mechanisms generally begin by establishing the relative energies of the starting materials, transition state, and products, that is, the stationary points on the potential energy surface of the reaction complex. Examining the intervening species via the intrinsic reaction coordinate (IRC) offers further insight into the fate of the reactants by delineating, step-by-step, the energetics involved along the reaction path between the stationary states. For a detailed analysis of the mechanism and dynamics of a chemical reaction, the reaction path Hamiltonian (RPH) and the united reaction valley approach (URVA) are an efficient combination. The chemical conversion of the reaction complex is reflected by the changes in the reaction path direction t(s) and reaction path curvature k(s), both expressed as a function of the path length s. This information can be used to partition the reaction path, and by this the reaction mechanism, of a chemical reaction into reaction phases describing chemically relevant changes of the reaction complex: (i) a contact phase characterized by van der Waals interactions, (ii) a preparation phase, in which the reactants prepare for the chemical processes, (iii) one or more transition state phases, in which the chemical processes of bond cleavage and bond formation take place, (iv) a product adjustment phase, and (v) a separation phase. In this Account, we examine mechanistic analysis with URVA in detail, focusing on recent theoretical insights (with a variety of reaction types) from our laboratories. Through the utilization of the concept of localized adiabatic vibrational modes that are associated with the internal coordinates, q(n)(s), of the reaction complex, the chemical character of each reaction phase can be identified via the adiabatic curvature coupling coefficients, A(n,s)(s). These quantities reveal whether a local adiabatic vibrational mode supports (A(n,s) > 0) or resists

  5. Danish general practitioners only play a minor role in the coordination of cancer treatment

    Dalsted, Rikke Juul; Guassora, Ann Dorrit; Thorsen, Thorkil


    of coordination. The aim of the article is to discuss whether general practitioners (GPs) may play a coordinating role for individual patients in Danish cancer treatment? MATERIAL AND METHODS: This study is based on individual interviews and focus groups analyzed by meaning condensation. RESULTS: The GP......INTRODUCTION: Despite initiatives to integrate treatment and care across organisations, patient trajectories in Danish health-care are not well coordinated. Coordination among many health-care professionals is essential, and it is frequently suggested that a single person should perform the task......’s potential to coordinate patient trajectories was limited by lack of involvement of the GPs by other health-care professionals and lack of needed information. Furthermore, many patients do not regard their GP as a coordinator. Patients who contacted their GP during treatment typically had a close...

  6. Administrative Coordination in Non-Profit Human Service Delivery Networks: The Role of Competition and Trust.

    Bunger, Alicia C


    Non-profit human service organizations operating within the same regional network are often faced with dual pressure to compete as well as coordinate administrative operations (by sharing funding, staff or space) to enhance efficiency. Emerging evidence has demonstrated that competing organizations coordinate, despite the risks. Trust, or perceived trustworthiness between two organizations may mitigate the negative influence of competition on coordination, however there have been few explicit tests of this hypothesis among non-profit organizations. Drawing on quantitative data collected from a network of 36 non-profit children's behavioral health organizations, this paper empirically tests how competition and perceived trustworthiness interact to influence administrative coordination. Results support the hypothesis that trustworthiness moderates the influence of competition on administrative coordination. Findings suggest that as competing non-profit leaders build trust, the more their agencies coordinate their administrative functions. This study highlights the importance of leaders' perceptions for organizational strategy.

  7. Einstein's Geometrization vs. Spatial Coordinate-rescale Cancellation of Static Gravity

    He, J


    Particle's acceleration in static homogeneous gravitational field is cancelled by any freely-falling frame. The present paper shows that the acceleration is also cancelled by a spatial curvilinear coordinate system. The coordinate system is simply a spatial square-root coordinate rescale in the field direction, no relative motion being involved. In an inhomogeneous gravitational field, no such freely-falling frame can be found. However, the present paper shows that spatial radial coordinate-rescales which cancel gravity are still there for several cases of inhomogeneous static gravity. This suggests that spacetime is flat which has inertial frame of Minkowski metric $\\eta_{ij}$. Gravity is a tensor $g_{\\alpha \\beta}$ on the spacetime, which is called effective metric. The effective metric emerges from the coordinate rescale. The gravitational field of an isolated point mass requires a radial translational coordinate rescale. The corresponding effective metric is different from that of Schwarzchild. To first o...

  8. Applications of Bis(1-R-imidazol-2-yl)disulfides and Diselenides as Ligands for Main Group and Transition Metals: κ2-[N,N] Coordination, S-S Bond Cleavage and S-S/E-E (E = S, Se) Bond Metathesis Reactions

    Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard


    Bis(1-R-imidazol-2-yl)disulfides, (mimR)2 (R = Ph, But), and diselenides, (seimMes)2, serve as bidentate [N,N]-donor ligands for main group and transition metals. For example, [κ2-(mimBut)2]MCl2 (M = Fe, Co, Ni, Zn), [κ2-(mimPh)2]MCl2 (M = Co, Zn), [κ2-(mimBut)2]CuX (X = Cl, I) and [κ2-(seimMes)2]MCl2 (M = Fe, Co, Ni) are obtained by treatment of (mimBut)2 or (seimMes)2 with the respective metal halide, and have been structurally characterized by X-ray diffraction. On the other hand, the zerovalent nickel complex Ni(PMe3)4 effects cleavage of the disulfide bond of (mimBut)2 to give square planar trans-Ni(PMe3)2(mimBut)2 in which the (mimBut) ligands coordinate via nitrogen rather than sulfur, a most uncommon coordination mode for this class of ligands. Although [κ2-(mimR)2]MCl2 (M = Fe, Co, Ni, Zn) are not subject to homolytic cleavage of the S-S bond because the tetravalent state is not readily accessible, the observation that [κ2-(mimPh)2]CoCl2 and [κ2-(mimBut)2]CoCl2 form an equilibrium mixture with the asymmetric disulfide [κ2-(mimPh)(mimBut)]CoCl2 indicates that S-S bond cleavage via another mechanism is possible. Likewise, metathesis between disulfide and diselenide ligands is observed in the formation of [κ2-(mimBut)(seimMes)]CoCl2 upon treatment of [κ2-(mimBut)2]CoCl2 with [κ2-(seimMes)2]CoCl2. PMID:17900186

  9. A PDI family network acts distinctly and coordinately with ERp29 to facilitate polyomavirus infection.

    Walczak, Christopher P; Tsai, Billy


    Endoplasmic reticulum (ER)-to-cytosol membrane transport is a decisive infection step for the murine polyomavirus (Py). We previously determined that ERp29, a protein disulfide isomerase (PDI) member, extrudes the Py VP1 C-terminal arm to initiate ER membrane penetration. This reaction requires disruption of Py's disulfide bonds. Here, we found that the PDI family members ERp57, PDI, and ERp72 facilitate virus infection. However, while all three proteins disrupt Py's disulfide bonds in vitro, only ERp57 and PDI operate in concert with ERp29 to unfold the VP1 C-terminal arm. An alkylated Py cannot stimulate infection, implying a pivotal role of viral free cysteines during infection. Consistent with this, we found that although PDI and ERp72 reduce Py, ERp57 principally isomerizes the virus in vitro, a reaction that requires viral free cysteines. Our mutagenesis study subsequently identified VP1 C11 and C15 as important for infection, suggesting a role for these residues during isomerization. C11 and C15 also act together to stabilize interpentamer interactions for a subset of the virus pentamers, likely because some of these residues form interpentamer disulfide bonds. This study reveals how a PDI family functions coordinately and distinctly to promote Py infection and pinpoints a role of viral cysteines in this process.

  10. Motor coordination and visual information processing in high school students at risk of developmental coordination disorder: Two year follow-up study

    Rudolf Psotta


    Full Text Available BACKGROUND: Developmental coordination disorder (DCD in children is characterised by the execution being substantially below that expected given the individual's chronological age. This deficit can negatively affect the psychological and social development of the children and their academic achievements. A few studies provided the evidences on the persistence of impaired motor coordination up to the middle and older adolescence. Although DCD is the heterogeneous syndrome, it seems to be associated with problems in visual information processing. AIMS: The first aim of the study was to examine how a below-average motor coordination in the adolescents can be associated with visual information processing ability. Second aim was to reveal the short-term pathway of impaired motor coordination during adolescence and whether their persistence and reduction, respectively, could be associated with a level of visual information processing. METHODS: In the first phase of the study the below average motor coordination identified by the MABC-2 test (Henderson, Sugden, & Barnett, 2007 in the students of the high and vocational schools (n = 52 was analysed on its relation to the ability of visual information processing. This ability was assessed by the simple and choice reaction tests (FiTRO Reaction Check device. In the 2nd phase of the study the students with moderate and significant motor difficulties (n = 34 were reassessed two years after the initial testing to examine the changes in motor coordination and its potential association with a level of visual information processing. RESULTS: The below-average motor coordination correlated with the several measures of choice reaction with a determination of R2 9-15%, while a level of selective attention and physical growth of the adolescents were not the significant factors of motor skills. Of 34 adolescents 18 students demonstrated the reduction of motor difficulties in two years, and the persistence of the

  11. Medicaid Managed Care Structures and Care Coordination.

    Gilchrist-Scott, Douglas H; Feinstein, James A; Agrawal, Rishi


    Child enrollment in Medicaid managed care (MMC) has expanded dramatically, primarily through state mandates. Care coordination is a key metric in MMC evaluation because it drives much of the proposed cost savings and may be associated with improved health outcomes and utilization. We evaluated the relationships between enrollment in 2 MMC structures, primary care case management (PCCM) and health maintenance organization (HMO) and access to and receipt of care coordination by children. Using data from the 2011/2012 National Survey of Children's Health and the Medicaid Statistical Information System state data mart, we conducted a retrospective, cross-sectional analysis of the relationships between fee-for-service, PCCM or HMO enrollment, and access to and receipt of care coordination. State-level univariate analyses and individual and state multilevel multivariable analyses evaluated correlations between MMC enrollment and care coordination, controlling for demographic characteristics and state financing levels. In univariate and multilevel multivariable analyses, the PCCM penetration rate was significantly associated with increased access to care coordination (adjusted odds ratio: 1.23, P = .034) and receipt of care coordination (adjusted odds ratio: 1.37, P = .02). The HMO penetration rate was significantly associated with lower access to care coordination (adjusted odds ratio: 0.85, P = .05) and receipt of care coordination (adjusted odds ratio: 0.71, P coordination may be more effective in PCCM than HMO structures. States should consider care coordination outcomes when structuring their Medicaid programs. Copyright © 2017 by the American Academy of Pediatrics.

  12. Coordination control of distributed systems

    Villa, Tiziano


    This book describes how control of distributed systems can be advanced by an integration of control, communication, and computation. The global control objectives are met by judicious combinations of local and nonlocal observations taking advantage of various forms of communication exchanges between distributed controllers. Control architectures are considered according to  increasing degrees of cooperation of local controllers:  fully distributed or decentralized control,  control with communication between controllers,  coordination control, and multilevel control.  The book covers also topics bridging computer science, communication, and control, like communication for control of networks, average consensus for distributed systems, and modeling and verification of discrete and of hybrid systems. Examples and case studies are introduced in the first part of the text and developed throughout the book. They include: control of underwater vehicles, automated-guided vehicles on a container terminal, contro...

  13. Tree Formation Using Coordinate Method

    Monika Choudhary


    Full Text Available In this paper we are introducing a new method of tree formation, we propose a coordinate based method by which we can store and access tree structures. As we know in NLP, parsing is the most important module. The output of this module is generally parsed trees. Currently, TAG (Tree Adjoining Grammar is widely used grammar due to its linguistic and formal nature. It is simply tree generating system. The unit structure used in TAG is structured trees. So we used our new method to store trees where we worked on English to Hindi language. We worked on different sentences from English to Hindi, our method is the easiest way to manipulate tree. We have implemented within small corpus and for finite number of structures and further can be extended in future.

  14. Reactions of Dicyclopentadienyltitanium(III) Compounds with Carbon Monoxide

    Boer, E.J.M. de; Cate, L.C. ten; Staring, A.G.J.; Teuben, J.H.


    Reactions of Cp2TiR (R = Cl, C6F5, C6H5, o-CH3C6H4) with CO give two types of products: terminally coordinated adducts, Cp2Ti(R)CO, and insertion products, Cp2TiCOR, i.e. acyl compounds. The acyl ligand is η2-coordinated at the titanium atom. The preparations and properties of the compounds are

  15. Quipus and System of Coordinated Precession

    Campos, T. C.


    The Incas of ancient Peru possessed no writing. Instead, they developed a unique system expressed on spatial arrays of colored knotted cords called Quipus to record and transmit information throughout their vast empire. In their thorough description of quipus, Ascher & Ascher observed that in two cases the numbers registered in their strings have a very special relationship to each other. For this to occur the numbers must have been obtained through the multiplication of whole numbers by fractions or decimals, operations apparently beyond the arithmetic knowledge of the Incas. The quipus AS120 and AS143, coming from Ica (Peru) and conserved in the Museum of Berlin has the suitable characteristics previously. In the AS143 there is a the relationship with the systems of coordinated precession (tilt of Earth's spin axis (40036); eccentricity of Earth's orbit (97357); and precession of equinoxes (between 18504 and 23098)). For the history of the Earth are necessary an chronometer natural to coordinate and to classify the observations and this chronometer comes to be the vernal point, defining the vernal point as" a sensitive axis of maximum conductivity" as itdemonstrates it the stability of the geomagnetic equator (inclination of the field is zero grades), in the year 1939 calculated with the IGRF from the year 1900 up to the 2004 and that it is confirmed with tabulated data of the Geophysical Institute of Huancayo (Peru),from that date until this year (2004) and this fluctuating between the 12-14 South.,on the other hand in the area of Brazil it has advanced very quickly toward the north, and above to 108 km. approximately it is located the equatorial electrojet that is but intense in the equinoxes in South America. And this stability from the point of view of the precession of the equinoxes this coinciding with the entrance of the apparent sun for the constellation of Aquarius, being this mechanism the base to establish a system of coordinated precession where it is

  16. Coordination Complexes as Catalysts: The Oxidation of Anthracene by Hydrogen Peroxide in the Presence of VO(acac)[subscript 2

    Charleton, Kimberly D. M.; Prokopchuk, Ernest M.


    A laboratory experiment aimed at students who are studying coordination chemistry of transition-metal complexes is described. A simple vanadyl acetylacetonate complex can be used as a catalyst in the hydrogen peroxide oxidation of anthracene to produce anthraquinone. The reaction can be performed under a variety of reaction conditions, ideally by…



    environment,and environ-ment and economy,and the coordinatability of the overall development of Taiyuan in the same period of time .The coordinate-ed sustainable development situation was quantitatively described,and the low development level was comprehensively analyzed,and suggestions were raised for its future coordinated sustainable development.

  18. Leishmania major: Parasite Interactions Suggesting Sexuality

    Sousa Maria Auxiliadora de


    Full Text Available In five experiments, Leishmania (Leishmania major (MRHO/SU/59/P-strain grew poorly when seeded in FYTS medium supplemented with 15% fetal calf serum, but presented several peculiar pairs of promastigotes diametrically opposed and attached at their posterior ends (5.8-13.5%. As seen in Giemsa-stained smears, a ring-like line and/or an enlargement, generally occurred at the parasite junction. A close proximity of nuclei, which sometimes were difficult to distinguish from each other, was also observed at this junction. Several of these pairs appeared to be composed of fused cells in which the nuclei could be apparently fused, as shown by fluorescence microscopy to detect ß-tubulin and DNA, and by scanning electron microscopy. Under other culture conditions these pairs were absent or occurred at very low rates (0.2-2.2%. Such pairs differ markedly from longitudinally dividing cells and resemble those described in two other Leishmania species, as well as in Herpetomonas megaseliae and Phytomonas davidi, suggesting steps of a putative sexual process


    Cevdet Söğütlü


    Full Text Available This study aims to identify the problems encountered in production lines for office furniture manufacturers and gives suggestions to the problems. For this response, a questionnaire was designed and conducted with directors or owners of 50 office furniture manufacturers of small, medium and large scale size enterprises which were randomly selected from different cities. The questionnaire aims to focus on identifying the fundamental obstacles for production, marketing, sales and law. The data from questionnaire was calculated with frequency numbers and percentages for statistical values. In respect to the scope of dependent variables for the study, relationships between the independent variables such as the size of the company scale and Chi Square Single Analysis of Variance (ANOVA were determined. According to the results, 52% of customers constitute owners. The biggest obstacle is the lack of qualified personnel in office furniture production while 46% of customers complain about pour designs. As a result, the study concludes with specific obstacles for logistics (30%, distributions (18%, unpaid bills after delivery (28%, and unconscious of the consumer (24% in the office furniture sector.

  20. Tag Correspondence Model for User Tag Suggestion

    涂存超; 刘知远; 孙茂松


    Some microblog services encourage users to annotate themselves with multiple tags, indicating their attributes and interests. User tags play an important role for personalized recommendation and information retrieval. In order to better understand the semantics of user tags, we propose Tag Correspondence Model (TCM) to identify complex correspondences of tags from the rich context of microblog users. The correspondence of a tag is referred to as a unique element in the context which is semantically correlated with this tag. In TCM, we divide the context of a microblog user into various sources (such as short messages, user profile, and neighbors). With a collection of users with annotated tags, TCM can automatically learn the correspondences of user tags from multiple sources. With the learned correspondences, we are able to interpret implicit semantics of tags. Moreover, for the users who have not annotated any tags, TCM can suggest tags according to users’ context information. Extensive experiments on a real-world dataset demonstrate that our method can effciently identify correspondences of tags, which may eventually represent semantic meanings of tags.

  1. [Evidence that suggest the reality of reincarnation].

    Bonilla, Ernesto


    Worldwide, children can be found who reported that they have memories of a previous life. More than 2,500 cases have been studied and their specifications have been published and preserved in the archives of the Division of Perceptual Studies at the University of Virginia (United States). Many of those children come from countries where the majority of the inhabitants believe in reincarnation, but others come from countries with different cultures and religions that reject it. In many cases, the revelations of the children have been verified and have corresponded to a particular individual, already dead. A good number of these children have marks and birth defects corresponding to wounds on the body of his previous personality. Many have behaviors related to their claims to their former life: phobias, philias, and attachments. Others seem to recognize people and places of his supposed previous life, and some of their assertions have been made under controlled conditions. The hypothesis of reincarnation is controversial. We can never say that it does not occur, or will obtain conclusive evidence that it happens. The cases that have been described so far, isolated or combined, do not provide irrefutable proof of reincarnation, but they supply evidence that suggest its reality.

  2. Suggested use of vaccines in diabetes

    Jothydev Kesavadev


    Full Text Available Diabetes has emerged as a disease of major public health importance in India affecting the rich and the poor alike. Conventionally, comprehensive diabetes management is aimed at preventing micro and macro vascular complications. However, morbidity and mortality due to infections are also significant. In developing countries like India, the concept of adult immunization is far from reality. Recently the H1N1 pandemic has triggered the necessity for considering immunization in all age groups for the prevention of vaccine-preventable fatal infectious diseases. Considering the economics of immunization in a developing country, providing free vaccines to all adults may not be a practical solution, although the free universal immunization program for children is in existence for several decades. There is no consensus on the use of vaccines in diabetes subjects in India. However, there are some clinics offering routine pneumococcal, influenza and other vaccinations. Patients with diabetes have a deranged immune system making them more prone for infections. Hospitalization and death due to pneumococcal disease and influenza are higher in diabetes patients. They, like other healthy individuals, have a normal humoral response to vaccination with clinically significant benefits. The American Diabetes Association, Advisory Committee on Immunization Practices, Centers for Disease Control and Prevention, World Health Organization, United Kingdom Guidelines and a number of other scientific organizations have well defined guidelines for vaccination in diabetes. In this article we make some suggestions for clinicians in India, regarding use of vaccines in subjects with diabetes.

  3. Catalysis of Photochemical Reactions.

    Albini, A.


    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  4. Employee suggestion programs: the rewards of involvement.

    Mishra, J M; McKendall, M


    Successful ESPs are the products of a great deal of effort by managers, administrators, teams, individuals, and reviewers, who are all striving to achieve the goals of increased profitability and enhanced employee involvement. A review of the literature indicates that there are several prescriptions that will increase the likelihood of a successful ESP (see the box). Today's American business prophets sound ceaseless calls to arms in the name of "world class performance," "global competitiveness," "total quality management," and a variety of other buzz terms. A burgeoning industry has evolved that promises, through speeches, teleconferences, seminars, and consulting contracts, to teach American organizations how to achieve excellence. In the face of a sputtering economy and unrelenting competitive pressure, today's managers must translate these laudatory ideals into hands-on reality without sacrificing the firm's profit margin to experimentation. If any idea can help an organization achieve improvement through a workable program, then that idea and that program deserve real consideration. An ESP represents an opportunity to tap the intelligence and resourcefulness of an organization's employees, and by doing so, reap significant cost savings. Those companies and managers that have an ESP program uniformly list economic advantages first when describing the benefits of their employee suggestion programs. But there is another deeper and longer term benefit inherent in an ESP. These programs allow employees to become involved in their organization; they drive deaccession to lower levels, they give employees more responsibility, they foster creative approaches to work, and they encourage creativity in pursuit of company goals.(ABSTRACT TRUNCATED AT 250 WORDS)

  5. Advances in Solid-State Transformations of Coordination Bonds: From the Ball Mill to the Aging Chamber

    Cristina Mottillo


    Full Text Available Controlling the formation of coordination bonds is pivotal to the development of a plethora of functional metal-organic materials, ranging from coordination polymers, metal-organic frameworks (MOFs to metallodrugs. The interest in and commercialization of such materials has created a need for more efficient, environmentally-friendly routes for making coordination bonds. Solid-state coordination chemistry is a versatile greener alternative to conventional synthesis, offering quantitative yields, enhanced stoichiometric and topological selectivity, access to a wider range of precursors, as well as to molecules and materials not readily accessible in solution or solvothermally. With a focus on mechanochemical, thermochemical and “accelerated aging” approaches to coordination polymers, including pharmaceutically-relevant materials and microporous MOFs, this review highlights the recent advances in solid-state coordination chemistry and techniques for understanding the underlying reaction mechanisms.

  6. Observing joint action: Coordination creates commitment.

    Michael, John; Sebanz, Natalie; Knoblich, Günther


    Previous research has shown that interpersonal coordination enhances pro-social attitudes and behavior. Here, we extend this research by investigating whether the degree of coordination observed in a joint action enhances the perception of individuals' commitment to the joint action. In four experiments, participants viewed videos of joint actions. In the low coordination condition, two agents made independent individual contributions to a joint action. In the high coordination condition, the individual contributions were tightly linked. Participants judged whether and for how long the observed agents would resist a tempting outside option and remain engaged in the joint action. The results showed that participants were more likely to expect agents to resist outside options when observing joint actions with a high degree of coordination. This indicates that observing interpersonal coordination is sufficient to enhance the perception of commitment to joint action. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Control coordination abilities in shock combat sports

    Natalya Boychenko


    Full Text Available Purpose: optimize the process control level of coordination abilities in martial arts. Material and Methods: analysis and compilation of scientific and methodological literature, interviews with coaches of drum martial arts, video analysis techniques, teacher observations. Results: identified specific types of coordination abilities in shock combat sports. Pod branny and offered specific and nonspecific tests to monitor the level of species athletes coordination abilities. Conclusion: it is determined that in order to achieve victory in the fight martial artists to navigate the space to be able to assess and manage dynamic and spatio-temporal parameters of movements, maintain balance, have a high coordination of movements. The proposed tests to monitor species coordination abilities athletes allow an objective assessment of not only the overall level of coordination, and the level of specific types of manifestations of this ability.

  8. Characteristics of Trivalent Lanthanides in Coordination Chemistry

    Xue Dongfeng(薛冬峰); Zuo Sen(左森); Henryk Ratajczak


    Some basic characteristics of lanthanide-oxygen bonds in various trivalent lanthanide metal-organic complexes are quantitatively studied by the bond valence model. Some important relationships among the electronegativity, bond valence parameter, bond length and lanthanide coordination number in these complexes are generally found , which show that for each trivalent lanthanide cation all calculated parameters may well be correlated with its coordination number in their coordination complexes. Specifically,32 new data for the bond valence parameter are first calculated in this work.An approximate linear relationship between the Ln-O bond valence parameter and the coordination number of Ln3+ is obtained.The Ln-O bond length increases with the increase in the lanthanide coordination number.The difference of electronegative values decreases with the increase in the lanthanide coordination number.

  9. [Allergic reactions to transfusion].

    Hergon, E; Paitre, M L; Coeffic, B; Piard, N; Bidet, J M


    Frequent allergic reactions following transfusion are observed. Usually, they are benign but sometimes we observe severe allergic reactions. Adverse reactions may be brought about by least two mechanisms. First, immediate-type hypersensibility reactions due to IgE. Secondly, anaphylactic-type reactions due to interaction between transfused IgA and class specific anti IgA in the recipient's plasma. They are characterized by their severest form (anaphylactic shock). The frequency of severe reactions following the transfusion blood plasma is very low. These transfusion reactions are complement-mediated and kinins-mediated. Prevention of allergic reactions is necessary among blood donors and recipients.

  10. Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation.

    Kawai, Shinnosuke; Komatsuzaki, Tamiki


    We present a novel theory which enables us to explore the mechanism of reaction selectivity and robust functions in complex systems persisting under thermal fluctuation. The theory constructs a nonlinear coordinate transformation so that the equation of motion for the new reaction coordinate is independent of the other nonreactive coordinates in the presence of thermal fluctuation. In this article we suppose that reacting systems subject to thermal noise are described by a multidimensional Langevin equation without a priori assumption for the form of potential. The reaction coordinate is composed not only of all the coordinates and velocities associated with the system (solute) but also of the random force exerted by the environment (solvent) with friction constants. The sign of the reaction coordinate at any instantaneous moment in the region of a saddle determines the fate of the reaction, i.e., whether the reaction will proceed through to the products or go back to the reactants. By assuming the statistical properties of the random force, one can know a priori a well-defined boundary of the reaction which separates the full position-velocity space in the saddle region into mainly reactive and mainly nonreactive regions even under thermal fluctuation. The analytical expression of the reaction coordinate provides the firm foundation on the mechanism of how and why reaction proceeds in thermal fluctuating environments.

  11. Public opinion and organ donation suggestions for overcoming barriers.

    Cantarovich, Félix


    Getting organs for transplantation depends on people's decision; thus, public opinion is essential to finding a solution to this problem. Efforts to improve organ shortage focus on: 1) Living, unrelated donation, 2) increasing marginal donors and 3) proposing economic support for donors. Paradoxically, no initiative has been suggested to modify public opinion towards cadaver donors. Several reasons explain the resistance to donating cadaver organs: Lack of awareness, religious uncertainties, distrust of medicine, hostility to new ideas, and misinformation. Education should be used to reshape public opinion about the use of organs for transplantation. Society should accept that "using" body parts is moral and offers a source of health for everybody. The concept that using cadaver organs implies sharing a source of health might be a social agreement between all members of Society. Suggestions for improving organ shortage include: 1) Society should understand that during one's life one may be just as easily a potential organ receiver as one is an organ donor. 2) Cadaver organs are an irreplaceable source of health. 3) As self-interest is one obstacle to donating cadaver organs, the "concept that allowing the use of our organs after death represents a chance of sharing health for everybody" may be useful for a change of attitude. Even though a poll among transplant professionals supported this suggestion, an international public survey should be carried out to evaluate people's reaction to this message.

  12. Steric congestion at, and proximity to, a ferrous center leads to hydration of α-nitrile substituents forming coordinated carboxamides.

    Thallaj, Nasser K; Orain, Pierre-Yves; Thibon, Aurore; Sandroni, Martina; Welter, Richard; Mandon, Dominique


    The question of the conversion of nitrile groups into amides (nitrile hydration) by action of water in mild and eco-compatible conditions and in the presence of iron is addressed in this article. We come back to the only known example of hydration of a nitrile function into carboxamide by a ferrous [Fe(II)] center in particularly mild conditions and very efficiently and demonstrate that these unusual conditions result from the occurrence of steric stress at the reaction site and formation of a more stable end product. Two bis(cyano-substituted) (tris 2-pyridyl methyl amine) ligands have been prepared, and the structures of the corresponding FeCl2 complexes are reported, both in the solid state and in solution. These two ligands only differ by the position of the nitrile group on the tripod in the α and β position, respectively, with respect to the pyridine nitrogen. In any case, intramolecular coordination is impossible. Upon action of water, the nitrile groups are hydrated however only if they are located in the α position. The fact that the β-substituted β-(NC)2TPAFeCl2 complex is not water sensitive suggests that the reaction proceeds in an intramolecular way at the vicinity of the metal center. In the bis α-substituted α-(NC)2TPAFeCl2 complex, both functions are converted in a very clean fashion, pointing out that this complex exhibits ligand flexibility and is not deactivated after the first hydration. At a preparative scale, this reaction allows the one-pot conversion of the bis(cyano-substituted) tripod into a bis(amido-substituted) one in particularly mild conditions with a very good yield. Additionally, the XRD structure of a ferric compound in which the two carboxamido ligands are bound to the metal in a seven-coordinate environment is reported.

  13. Managing interteam coordination within and between organizations

    de Vries, Thomas Arend


    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’ languages, routines, and goals. In this dissertation I examine organizational structures, team composition strategies, and individual team member characteristics that can help to overcome such difficult...

  14. Novel Coordination Chemistry of Aluminum Borohydride


    four different crystal shapes were identified under a microscope.  Super thin plates are not a preferred crystal shape for X-ray analysis. Anion ...coordination of various ligands. Previously we investigated an IL based upon the [Al(BH4)4]- anion . This material showed a much improved air and...moisture stability compared to ABH. Here we present research on the coordination of the cyanoborohydride anion (NCBH3-) with ABH. The coordination

  15. Convergence of barycentric coordinates to barycentric kernels

    Kosinka, Jiří


    We investigate the close correspondence between barycentric coordinates and barycentric kernels from the point of view of the limit process when finer and finer polygons converge to a smooth convex domain. We show that any barycentric kernel is the limit of a set of barycentric coordinates and prove that the convergence rate is quadratic. Our convergence analysis extends naturally to barycentric interpolants and mappings induced by barycentric coordinates and kernels. We verify our theoretical convergence results numerically on several examples.

  16. From coordinated care trials to medicare locals: what difference does changing the policy driver from efficiency to quality make for coordinating care?

    Gardner, Karen; Yen, Laurann; Banfield, Michelle; Gillespie, James; McRae, Ian; Wells, Robert


    The terms coordination and integration refer to a wide range of interventions, from strategies aimed at coordinating clinical care for individuals to organizational and system interventions such as managed care, which contract medical and support services. Ongoing debate about whether financial and organizational integration are needed to achieve clinical integration is evident in policy debates over several decades, from a focus through the 1990s on improving coordination through structural reform and the use of market mechanisms to achieve allocative efficiencies (better overall service mix) to more recent attention on system performance to improve coordination and quality. We examine this shift in Australia and ask how has changing the policy driver affected efforts to achieve coordination? Care planning, fund pooling and purchasing are still important planks in coordination. Evidence suggests that financial strategies can be used to drive improvements for particular patient groups, but these are unlikely to improve outcomes without being linked to clinical strategies that support coordination through multidisciplinary teamwork, IT, disease management guidelines and audit and feedback. Meso level organizational strategies might align the various elements to improve coordination. Changing the policy driver has refocused research and policy over the last two decades from a focus on achieving allocative efficiencies to achieving quality and value for money. Research is yet to develop theoretical approaches that can deal with the implications for assessing effectiveness. Efforts need to identify intervention mechanisms, plausible relationships between these and their measurable outcomes and the components of contexts that support the emergence of intervention attributes.

  17. Testing multiple coordination constraints with a novel bimanual visuomotor task.

    Helene M Sisti

    Full Text Available The acquisition of a new bimanual skill depends on several motor coordination constraints. To date, coordination constraints have often been tested relatively independently of one another, particularly with respect to isofrequency and multifrequency rhythms. Here, we used a new paradigm to test the interaction of multiple coordination constraints. Coordination constraints that were tested included temporal complexity, directionality, muscle grouping, and hand dominance. Twenty-two healthy young adults performed a bimanual dial rotation task that required left and right hand coordination to track a moving target on a computer monitor. Two groups were compared, either with or without four days of practice with augmented visual feedback. Four directional patterns were tested such that both hands moved either rightward (clockwise, leftward (counterclockwise, inward or outward relative to each other. Seven frequency ratios (3∶1, 2∶1, 3∶2, 1∶1, 2∶3. 1∶2, 1∶3 between the left and right hand were introduced. As expected, isofrequency patterns (1∶1 were performed more successfully than multifrequency patterns (non 1∶1. In addition, performance was more accurate when participants were required to move faster with the dominant right hand (1∶3, 1∶2 and 2∶3 than with the non-dominant left hand (3∶1, 2∶1, 3∶2. Interestingly, performance deteriorated as the relative angular velocity between the two hands increased, regardless of whether the required frequency ratio was an integer or non-integer. This contrasted with previous finger tapping research where the integer ratios generally led to less error than the non-integer ratios. We suggest that this is due to the different movement topologies that are required of each paradigm. Overall, we found that this visuomotor task was useful for testing the interaction of multiple coordination constraints as well as the release from these constraints with practice in the presence of

  18. Stabilization of coordinated motion for underwater vehicles

    Fan Wu; Zhi-Yong Geng


    This paper presents a coordinating and stabilizing control law for a group of underwater vehicles with unstable dynamics. The coordinating law is derived from a potential that only depends on the relative configuration of the underwater vehicles. Being coordinated, the group behaves like one mechanical system with symmetry, and we focus on stabilizing a family of coordinated motions, called relative equilibria. The stabilizing law is derived using energy shaping to stabilize the relative equilibria which involve each vehicle translating along its longest (unstable) axis without spinning,while maintaining a relative configuration within the group.The proposed control law is physically motivated and avoids the linearization or cancellation of nonlinearities.

  19. Hepatitis B in Bangladesh: Further Suggestions

    Mohammad Shafiul Jamal


    Full Text Available Iread with great interest Rashid and Rafiq's article published in the spring issue of this journal(1. The authors not only highlighted the shortcomings of the current hepatitis B vaccination strategy in Bangladesh but also prescribed awonderful policy, which is felt to be both costeffective and befitting with the country's existing programme on immunization. To complement thisI would like to add few more points: ||l|| Most neonates mount an immune response, which is believed to be adequate to reduce their risk of perinatal Hepatitis B Virus (HBV acquisition after vaccination(2. Though the pre-term babies (<37 weeks show a slower response than the term (||“||37 weeks babies, immunogenicity, which is inversely proportional to the gestational age, can be improved by increasing the vaccine dosage (2,3. l| Timing first dose of hepatitis B vaccine with BCG probably has a positive interaction: administration of BCG at the time of HBV vaccine priming at birth markedly increases the cytokines as well as ntibody responses to HBV vaccine(4. This astonishing finding might suggest that BCG has a synergistic effect on hepatitis B vaccination. Bangladesh is reported to have a very high (94% coverage of BCG vaccine(5; the uptake of HBV vaccine can be equally improved by timing it with BCG.l| The present infant vaccination policy will leave adolescents unguarded and hence nationwide prevention of the disease will be delayed. A recent survey unveils that available infrastructure in Bangladesh has sufficient spare capacity to sustain storage of an increased quantity of vaccines(5. To make good use of this unused legroom adolescent vaccination should be started along with infant vaccination. Countries such as Spain and Portugal have both neonatal and adolescent vaccination programmes in place, since 1993 and 2000 respectively, and these countries will be able to end the adolescent programme once the first immunised newborn cohort has reached the target age of the

  20. Revealing hot executive function in children with motor coordination problems: What's the go?

    Rahimi-Golkhandan, S.; Steenbergen, B.; Piek, J.P.; Caeyenberghs, K.; Wilson, P.H.


    Recent research suggests that children with Developmental Coordination Disorder (DCD) often show deficits in executive functioning (EF) and, more specifically, the ability to use inhibitory control in 'hot', emotionally rewarding contexts. This study optimized the assessment of sensitivity of childr