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Sample records for variable reaction coordinate

  1. Nonparametric variational optimization of reaction coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk [Astbury Center for Structural Molecular Biology, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2015-11-14

    State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such an approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.

  2. Making oneself predictable: Reduced temporal variability facilitates joint action coordination

    DEFF Research Database (Denmark)

    Vesper, Cordula; van der Wel, Robrecht; Knoblich, Günther

    2011-01-01

    Performing joint actions often requires precise temporal coordination of individual actions. The present study investigated how people coordinate their actions at discrete points in time when continuous or rhythmic information about others’ actions is not available. In particular, we tested...... the hypothesis that making oneself predictable is used as a coordination strategy. Pairs of participants were instructed to coordinate key presses in a two-choice reaction time task, either responding in synchrony (Experiments 1 and 2) or in close temporal succession (Experiment 3). Across all experiments, we...... found that coactors reduced the variability of their actions in the joint context compared with the same task performed individually. Correlation analyses indicated that the less variable the actions were, the better was interpersonal coordination. The relation between reduced variability and improved...

  3. Effective dynamics along given reaction coordinates, and reaction rate theory.

    Science.gov (United States)

    Zhang, Wei; Hartmann, Carsten; Schütte, Christof

    2016-12-22

    In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free energies or reaction rates. In this context, the effective dynamics that is induced by the full dynamics on the reaction coordinate space has attracted considerable attention in the literature. In this article, we contribute to this discussion: we first show that if we start with an ergodic diffusion process whose invariant measure is unique then these properties are inherited by the effective dynamics. Then, we give equations for the effective dynamics, discuss whether the dominant timescales and reaction rates inferred from the effective dynamics are accurate approximations of such quantities for the full dynamics, and compare our findings to results from approaches like Mori-Zwanzig, averaging, or homogenization. Finally, by discussing the algorithmic realization of the effective dynamics, we demonstrate that recent algorithmic techniques like the "equation-free" approach and the "heterogeneous multiscale method" can be seen as special cases of our approach.

  4. Revised coordinates of variable stars in Cassiopeia

    Science.gov (United States)

    Nesci, R.

    2018-02-01

    The identification of the variable stars published on IBVS 3573 has ben revised on the basis of the original (unpublished) finding charts. Cross check with the 2MASS catalog has been made to get more accurate coordinates and to confirm their nature from their , colors. The Mira stars, given their known periods, could be used with the astrometric parallaxes of the forthcoming Gaia catalog to improve the Period-Luminosity relation.

  5. A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates

    International Nuclear Information System (INIS)

    Shiga, Motoyuki; Fujisaki, Hiroshi

    2012-01-01

    We propose a generalization of the intrinsic reaction coordinate (IRC) for quantum many-body systems described in terms of the mass-weighted ring polymer centroids in the imaginary-time path integral theory. This novel kind of reaction coordinate, which may be called the ''centroid IRC,'' corresponds to the minimum free energy path connecting reactant and product states with a least amount of reversible work applied to the center of masses of the quantum nuclei, i.e., the centroids. We provide a numerical procedure to obtain the centroid IRC based on first principles by combining ab initio path integral simulation with the string method. This approach is applied to NH 3 molecule and N 2 H 5 - ion as well as their deuterated isotopomers to study the importance of nuclear quantum effects in the intramolecular and intermolecular proton transfer reactions. We find that, in the intramolecular proton transfer (inversion) of NH 3 , the free energy barrier for the centroid variables decreases with an amount of about 20% compared to the classical one at the room temperature. In the intermolecular proton transfer of N 2 H 5 - , the centroid IRC is largely deviated from the ''classical'' IRC, and the free energy barrier is reduced by the quantum effects even more drastically.

  6. Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems

    Science.gov (United States)

    Noe, Frank

    To efficiently simulate and generate understanding from simulations of complex macromolecular systems, the concept of slow collective coordinates or reaction coordinates is of fundamental importance. Here we will introduce variational approaches to approximate the slow coordinates and the reaction coordinates between selected end-states given MD simulations of the macromolecular system and a (possibly large) basis set of candidate coordinates. We will then discuss how to select physically intuitive order paremeters that are good surrogates of this variationally optimal result. These result can be used in order to construct Markov state models or other models of the stationary and kinetics properties, in order to parametrize low-dimensional / coarse-grained model of the dynamics. Deutsche Forschungsgemeinschaft, European Research Council.

  7. Joint action coordination through strategic reduction in variability

    DEFF Research Database (Denmark)

    Vesper, Cordula; Schmitz, Laura; Sebanz, Natalie

    2013-01-01

    How do people coordinate actions with others? We tested the hypothesis that pairs of participants strategically reduce the variability of their action performance to achieve synchronicity in the absence of visual feedback about each other’s actions. Consistent with this prediction, participants...... strategic adaptation in the service of real-time action coordination when only minimal perceptual information is available....

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

    Science.gov (United States)

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

    2017-11-01

    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.

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

    Science.gov (United States)

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

    2017-09-19

    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.

  10. Enzymatic conformational fluctuations along the reaction coordinate of cytidine deaminase

    OpenAIRE

    Noonan, Ryan C.; Carter, Charles W.; Bagdassarian, Carey K.

    2002-01-01

    Analysis of the crystal structures for cytidine deaminase complexed with substrate analog 3-deazacytidine, transition-state analog zebularine 3,4-hydrate, and product uridine establishes significant changes in the magnitude of atomic-scale fluctuations along the (approximate) reaction coordinate of this enzyme. Differences in fluctuations between the substrate analog complex, transition-state analog complex, and product complex are monitored via changes in corresponding crystallographic tempe...

  11. Cellular reprogramming dynamics follow a simple 1D reaction coordinate

    Science.gov (United States)

    Teja Pusuluri, Sai; Lang, Alex H.; Mehta, Pankaj; Castillo, Horacio E.

    2018-01-01

    Cellular reprogramming, the conversion of one cell type to another, induces global changes in gene expression involving thousands of genes, and understanding how cells globally alter their gene expression profile during reprogramming is an ongoing problem. Here we reanalyze time-course data on cellular reprogramming from differentiated cell types to induced pluripotent stem cells (iPSCs) and show that gene expression dynamics during reprogramming follow a simple 1D reaction coordinate. This reaction coordinate is independent of both the time it takes to reach the iPSC state as well as the details of the experimental protocol used. Using Monte-Carlo simulations, we show that such a reaction coordinate emerges from epigenetic landscape models where cellular reprogramming is viewed as a ‘barrier-crossing’ process between cell fates. Overall, our analysis and model suggest that gene expression dynamics during reprogramming follow a canonical trajectory consistent with the idea of an ‘optimal path’ in gene expression space for reprogramming.

  12. Coordination and variability in the elite female tennis serve.

    Science.gov (United States)

    Whiteside, David; Elliott, Bruce Clifford; Lay, Brendan; Reid, Machar

    2015-01-01

    Enhancing the understanding of coordination and variability in the tennis serve may be of interest to coaches as they work with players to improve performance. The current study examined coordinated joint rotations and variability in the lower limbs, trunk, serving arm and ball location in the elite female tennis serve. Pre-pubescent, pubescent and adult players performed maximal effort flat serves while a 22-camera 500 Hz motion analysis system captured three-dimensional body kinematics. Coordinated joint rotations in the lower limbs and trunk appeared most consistent at the time players left the ground, suggesting that they coordinate the proximal elements of the kinematic chain to ensure that they leave the ground at a consistent time, in a consistent posture. Variability in the two degrees of freedom at the elbow became significantly greater closer to impact in adults, possibly illustrating the mechanical adjustments (compensation) these players employed to manage the changing impact location from serve to serve. Despite the variable ball toss, the temporal composition of the serve was highly consistent and supports previous assertions that players use the location of the ball to regulate their movement. Future work should consider these associations in other populations, while coaches may use the current findings to improve female serve performance.

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

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenjin; Ma, Ao, E-mail: aoma@uic.edu [Department of Bioengineering, The University of Illinois at Chicago, 851 South Morgan Street, Chicago, Illinois 60607 (United States)

    2016-03-21

    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 C{sub 7eq} → C{sub 7ax} 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. Reaction mechanism and reaction coordinates from the viewpoint of energy flow

    International Nuclear Information System (INIS)

    Li, Wenjin; Ma, Ao

    2016-01-01

    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 C 7eq → C 7ax 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.

  15. Comprehensive coordination chemistry. The synthesis, reactions, properties and applications of coordination compounds. V.3. Main group and early transition elements

    International Nuclear Information System (INIS)

    Wilkinson, Geoffrey; Gillard, R.D.; McCleverty, J.A.

    1987-01-01

    Comprehensive coordination chemistry reviews the synthesis reactions and properties of coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology, medicine and biology are discussed. Volume three concentrates on the main group and early transition element coordination compounds. (UK)

  16. Dissociating variability and effort as determinants of coordination.

    Directory of Open Access Journals (Sweden)

    Ian O'Sullivan

    2009-04-01

    Full Text Available When coordinating movements, the nervous system often has to decide how to distribute work across a number of redundant effectors. Here, we show that humans solve this problem by trying to minimize both the variability of motor output and the effort involved. In previous studies that investigated the temporal shape of movements, these two selective pressures, despite having very different theoretical implications, could not be distinguished; because noise in the motor system increases with the motor commands, minimization of effort or variability leads to very similar predictions. When multiple effectors with different noise and effort characteristics have to be combined, however, these two cost terms can be dissociated. Here, we measure the importance of variability and effort in coordination by studying how humans share force production between two fingers. To capture variability, we identified the coefficient of variation of the index and little fingers. For effort, we used the sum of squared forces and the sum of squared forces normalized by the maximum strength of each effector. These terms were then used to predict the optimal force distribution for a task in which participants had to produce a target total force of 4-16 N, by pressing onto two isometric transducers using different combinations of fingers. By comparing the predicted distribution across fingers to the actual distribution chosen by participants, we were able to estimate the relative importance of variability and effort of 1:7, with the unnormalized effort being most important. Our results indicate that the nervous system uses multi-effector redundancy to minimize both the variability of the produced output and effort, although effort costs clearly outweighed variability costs.

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

    Directory of Open Access Journals (Sweden)

    Stela Paula Mezzomo

    2014-12-01

    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.

  18. Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

    Science.gov (United States)

    Krivov, Sergei V

    2011-10-06

    To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient numerical approach to construct the p(fold) reaction coordinate for a Markov process (satisfying the detailed balance) is described. The coordinate is obtained by optimizing parameters of a chosen functional form to make a generalized cut-based free energy profile the highest. The approach is illustrated by constructing the p(fold) reaction coordinate for the equilibrium folding simulation of FIP35 protein reported by Shaw et al. (Science 2010, 330, 341-346). © 2011 American Chemical Society

  19. Ambient Mechanochemical Solid-State Reactions of Carbon Nanotubes and Their Reactions via Covalent Coordinate Bond in Solution

    Science.gov (United States)

    Kabbani, Mohamad A.

    In its first part, this thesis deals with ambient mechanochemical solid-state reactions of differently functionalized multiple walled carbon nanotubes (MWCNTs) while in its second part it investigates the cross-linking reactions of CNTs in solution via covalent coordinate bonds with transitions metals and carboxylate groups decorating their surfaces. In the first part a series of mechanochemical reactions involving different reactive functionalities on the CNTs such as COOH/OH, COOH/NH2 and COCl/OH were performed. The solid-state unzipping of CNTs leading to graphene formation was confirmed using spectroscopic, thermal and electron microscopy techniques. The non-grapheme products were established using in-situ quadruple mass spectroscopy. The experimental results were confirmed by theoretical simulation calculations using the 'hot spots' protocol. The kinetics of the reaction between MWCNT-COOH and MWCNT-OH was monitored using variable temperature Raman spectroscopy. The low activation energy was discussed in terms of hydrogen bond mediated proton transfer mechanism. The second part involves the reaction of MWCNTII COOH with Zn (II) and Cu (II) to form CNT metal-organic frame (MOFs) products that were tested for their effective use as counter-electrodes in dyes sensitized solar cells (DSSC). The thesis concludes by the study of the room temperature reaction between the functionalized graphenes, GOH and G'-COOH followed by the application of compressive loads. The 3D solid graphene pellet product ( 0.6gm/cc) is conductive and reflective with a 35MPa ultimate strength as compared to 10MPa strength of graphite electrode ( 2.2gm/cc).

  20. Investigation of the complex reaction coordinate of acid catalyzed amide hydrolysis from molecular dynamics simulations

    International Nuclear Information System (INIS)

    Zahn, Dirk

    2004-01-01

    The rate-determining step of acid catalyzed peptide hydrolysis is the nucleophilic attack of a water molecule to the carbon atom of the amide group. Therein the addition of the hydroxyl group to the amide carbon atom involves the association of a water molecule transferring one of its protons to an adjacent water molecule. The protonation of the amide nitrogen atom follows as a separate reaction step. Since the nucleophilic attack involves the breaking and formation of several bonds, the underlying reaction coordinate is rather complex. We investigate this reaction step from path sampling Car-Parrinello molecular dynamics simulations. This approach does not require the predefinition of reaction coordinates and is thus particularly suited for investigating reaction mechanisms. From our simulations the most relevant components of the reaction coordinate are elaborated. Though the C···O distance of the oxygen atom of the water molecule performing the nucleophilic attack and the corresponding amide carbon atom is a descriptor of the reaction progress, a complete picture of the reaction coordinate must include all three molecules taking part in the reaction. Moreover, the proton transfer is found to depend on favorable solvent configurations. Thus, also the arrangement of non-reacting, i.e. solvent water molecules needs to be considered in the reaction coordinate

  1. Three key points along an intrinsic reaction coordinate

    Indian Academy of Sciences (India)

    Unknown

    Abstract. 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 co- ordinate: the force minimum, zero and maximum. We suggest that the resulting four zones be interpreted as involving ...

  2. Is Reaction Time Variability in ADHD Mainly at Low Frequencies?

    Science.gov (United States)

    Karalunas, Sarah L.; Huang-Pollock, Cynthia L.; Nigg, Joel T.

    2013-01-01

    Background: Intraindividual variability in reaction times (RT variability) has garnered increasing interest as an indicator of cognitive and neurobiological dysfunction in children with attention deficit hyperactivity disorder (ADHD). Recent theory and research has emphasized specific low-frequency patterns of RT variability. However, whether…

  3. Solid-phase vibrational redox reactions in coordinated oxides

    International Nuclear Information System (INIS)

    Kostikova, G.P.; Korol'kov, D.V.; Kostikov, Yu.P.

    1996-01-01

    The properties of multicomponent oxides (YBa 2 Cu 3 O 7-x , etc.), incorporating different valency forms of each of two (or more) different elements have been compared with the properties of the known chemical systems, where vibrational (periodic) redox-reactions are realized a fortiori. The essence of the new theoretical concept suggested consists in the following: high-T c superconductivity of the complex oxides and similar compounds originates from vibrational redox reaction proceeding in solid phase and involving different valency atoms of every element

  4. Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

    Science.gov (United States)

    Rabli, Djamal; McCarroll, Ronald

    2018-02-01

    This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.

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

    Science.gov (United States)

    Zapata, Felipe; Marazzi, Marco; Castaño, Obis; Acuña, A Ulises; Frutos, Luis Manuel

    2014-01-21

    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.

  6. Proton exchange in acid–base complexes induced by reaction coordinates with heavy atom motions

    International Nuclear Information System (INIS)

    Alavi, Saman; Taghikhani, Mahdi

    2012-01-01

    Highlights: ► Proton exchange in acid–base complexes is studied. ► The structures, binding energies, and normal mode vibrations are calculated. ► Transition state structures of proton exchange mechanism are determined. ► In the complexes studied, the reaction coordinate involves heavy atom rocking. ► The reaction coordinate is not simply localized in the proton movements. - Abstract: We extend previous work on nitric acid–ammonia and nitric acid–alkylamine complexes to illustrate that proton exchange reaction coordinates involve the rocking motion of the base moiety in many double hydrogen-bonded gas phase strong acid–strong base complexes. The complexes studied involve the biologically and atmospherically relevant glycine, formic, acetic, propionic, and sulfuric acids with ammonia/alkylamine bases. In these complexes, the magnitude of the imaginary frequencies associated with the proton exchange transition states are −1 . This contrasts with widely studied proton exchange reactions between symmetric carboxylic acid dimers or asymmetric DNA base pair and their analogs where the reaction coordinate is localized in proton motions and the magnitude of the imaginary frequencies for the transition states are >1100 cm −1 . Calculations on complexes of these acids with water are performed for comparison. Variations of normal vibration modes along the reaction coordinate in the complexes are described.

  7. Summary Report of Third Research Coordination Meeting on Minor Actinide Nuclear Reaction Data (MANREAD)

    International Nuclear Information System (INIS)

    Gunsing, Frank; Otsuka, Naohiko

    2010-12-01

    The Third Research Co-ordination Meeting of the MANREAD (Minor Actinides Neutron Reaction Data) Coordinated Research Project (CRP) was held at IAEA Headquarters in Vienna from 19 to 22 October 2010. A summary of the presentation, and the discussions which took place during the meeting, are reported here. In addition, a task assignment list of the experimental data assessment activities was agreed, and is provided together with the plan for future CRP activities. The Third Research Co-ordination Meeting of the MANREAD (Minor Actinides Neutron Reaction Data) Coordinated Research Project (CRP) was held at IAEA Headquarters in Vienna from 19 to 22 October 2010. A summary of the presentation, and the discussions which took place during the meeting, are reported here. In addition, a task assignment list of the experimental data assessment activities was agreed, and is provided together with the plan for future CRP activities. (author)

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

    Science.gov (United States)

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

    2016-03-14

    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.

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

    NARCIS (Netherlands)

    Juraszek, J.; Bolhuis, P.G.

    2008-01-01

    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

  10. Summary report of 2. research coordination meeting on Minor Actinide Neutron Reaction Data (MANREAD)

    International Nuclear Information System (INIS)

    Nagai, Y.; Mengoni, A.

    2009-07-01

    The second Research Co-ordination Meeting of the MANREAD (Minor Actinides Neutron Reaction Data) was held at the IAEA Headquarters in Vienna from 31 March to 3 April 2009. A summary of the discussion which took place at the meeting is reported here together with a list of the main outcomes and recommendations produced by the RCM participants. (author)

  11. Reaction Coordinate, Free Energy, and Rate of Intramolecular Proton Transfer in Human Carbonic Anhydrase II.

    Science.gov (United States)

    Paul, Sanjib; Paul, Tanmoy Kumar; Taraphder, Srabani

    2018-03-22

    The role of structure and dynamics of an enzyme has been investigated at three different stages of its function including the chemical event it catalyzes. A one-pot computational method has been designed for each of these stages on the basis of classical and/or quantum mechanical-molecular mechanical molecular dynamics and transition path sampling simulations. For a pair of initial and final states A and B separated by a high free-energy barrier, using a two-stage selection process, several collective variables (CVs) are identified that can delineate A and B. However, these CVs are found to exhibit strong cross-coupling over the transition paths. A set of mutually orthogonal order parameters is then derived from these CVs and an optimal reaction coordinate, r, determined applying half-trajectory likelihood maximization along with a Bayesian information criterion. The transition paths are also used to project the multidimensional free energy surface and barrier crossing dynamics along r. The proposed scheme has been applied to the rate-determining intramolecular proton transfer reaction of the well-known enzyme human carbonic anhydrase II. The potential of mean force, F( r), in the absence of the chemical step is found to reproduce earlier results on the equilibrium population of two side-chain orientations of key residue His-64. Estimation of rate constants, k, from mean first passage times for the three different stages of catalysis shows that the rate-determining step of intramolecular proton transfer occurs with k ≃ 1.0 × 10 6 s -1 , in close agreement with known experimental results.

  12. Quantum theory of exchange reactions: Use of nonorthogonal bases and coordinates

    International Nuclear Information System (INIS)

    Stechel, E.B.; Schmalz, T.G.; Light, J.C.

    1979-01-01

    A general approach to quantum scattering theory of exchange reactions utilizing nonorthogonal (''over-complete'') basis sets and nonorthogonal coordinates is presented. The method is shown to resolve many of the formal and practical difficulties attending earlier theories. Although the inspiration came from the early and accurate work on the collinear H+H 2 reaction by Diestler possible applications include electron transfer processes as well as chemical exchange reactions. The mathematics is formulated in detail and the solution is presented in terms of the R-matrix propagation method preserving all the symmetries of the physical process, i.e., conservation of flux and microscopic reversibility

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

    Science.gov (United States)

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

    2014-10-14

    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

  14. Variability in reaction time performance of younger and older adults.

    Science.gov (United States)

    Hultsch, David F; MacDonald, Stuart W S; Dixon, Roger A

    2002-03-01

    Age differences in three basic types of variability were examined: variability between persons (diversity), variability within persons across tasks (dispersion), and variability within persons across time (inconsistency). Measures of variability were based on latency performance from four measures of reaction time (RT) performed by a total of 99 younger adults (ages 17--36 years) and 763 older adults (ages 54--94 years). Results indicated that all three types of variability were greater in older compared with younger participants even when group differences in speed were statistically controlled. Quantile-quantile plots showed age and task differences in the shape of the inconsistency distributions. Measures of within-person variability (dispersion and inconsistency) were positively correlated. Individual differences in RT inconsistency correlated negatively with level of performance on measures of perceptual speed, working memory, episodic memory, and crystallized abilities. Partial set correlation analyses indicated that inconsistency predicted cognitive performance independent of level of performance. The results indicate that variability of performance is an important indicator of cognitive functioning and aging.

  15. Diels-Alder reactions of inert aromatic compounds within a self-assembled coordination cage.

    Science.gov (United States)

    Horiuchi, Shinnosuke; Murase, Takashi; Fujita, Makoto

    2011-07-04

    A self-assembled coordination cage serves as a nanometer-sized molecular flask to promote the Diels-Alder reactions of aromatic hydrocarbons with N-cyclohexylmaleimide. The coordination cage accelerated the Diels-Alder reaction of anthracene at the electronically unfavorable, terminal benzene ring to give a compact, cavity-restrained syn-adduct. Activation-parameter measurements for the reactions revealed considerable reduction in the entropy cost, and preorganization of the substrates is a dominant factor in the enhanced reactivity. Owing to this entropy-cost reduction, otherwise-unreactive aromatic compounds, such as naphthalenes or triphenylene, also underwent Diels-Alder reactions in a regio- and stereocontrolled fashion. In the naphthalene Diels-Alder reaction, X-ray crystallographic analysis of the guest-inclusion complex clarified the reinforced orientation and proximity of the substrate pairs before the reaction. A perylene Diels-Alder adduct was stabilized inside the cage and protected from aerial oxidation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Variability of gait, bilateral coordination, and asymmetry in women with fibromyalgia.

    Science.gov (United States)

    Heredia-Jimenez, J; Orantes-Gonzalez, E; Soto-Hermoso, V M

    2016-03-01

    To analyze how fibromyalgia affected the variability, asymmetry, and bilateral coordination of gait walking at comfortable and fast speeds. 65 fibromyalgia (FM) patients and 50 healthy women were analyzed. Gait analysis was performed using an instrumented walkway (GAITRite system). Average walking speed, coefficient of variation (CV) of stride length, swing time, and step width data were obtained and bilateral coordination and gait asymmetry were analyzed. FM patients presented significantly lower speeds than the healthy group. FM patients obtained significantly higher values of CV_StrideLength (p=0.04; pGait asymmetry only showed significant differences in the fast condition. FM patients walked more slowly and presented a greater variability of gait and worse bilateral coordination than healthy subjects. Gait asymmetry only showed differences in the fast condition. The variability and the bilateral coordination were particularly affected by FM in women. Therefore, variability and bilateral coordination of gait could be analyzed to complement the gait evaluation of FM patients. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Co-ordination of the nuclear reaction data centers. Report on an IAEA advisory group meeting

    International Nuclear Information System (INIS)

    Schwerer, O.; Lemmel, H.D.

    1996-11-01

    This report summarizes the 1996 co-ordination meeting in Brookhaven, U.S.A., of the national and regional nuclear reaction data center, convened by the IAEA at regular intervals. The main topics are: the international exchange of nuclear reaction data by means of the ''EXFOR'' system, and the further development of this system; the ''CINDA'' system as an international index and bibliography to neutron reaction data; the sharing of the workload for speedy and reliable nuclear data compilation and data center services; the exchange and documentation of evaluated data libraries in ''ENDF'' format; the rapid advances of online electronic information technologies, with the goal of rendering data center services to data users in IAEA Member States by means of computer retrievals, online services and printed materials. The scope of data covers microscopic cross-sections and related parameters of nuclear reactions induced by neutrons, charged-particles and photons. (author). Refs, figs, tabs

  18. Co-ordination of the nuclear reactions data centers. Report on an IAEA advisory group meeting

    International Nuclear Information System (INIS)

    Pronyaev, V.G.; Schwerer, O.

    1998-07-01

    This report summarizes the 1998 co-ordination meeting at the IAEA Headquarters in Vienna of the regional, national and specialized nuclear reaction data centers, concerned by the IAEA at two-year intervals. The main topics are: the international exchange of nuclear reaction data by means of the ''EXFOR'' system, and the further development of this system; the ''CINDA'' system as an international index and bibliography to neutron reaction data; the sharing of the workload for speedy and reliable nuclear data compilation and data center services; the exchange and documentation of evaluated data libraries in ''ENDF'' format; the rapid advances of online electronic information technologies, with goal of rendering data center services to data users in IAEA Member States by means of computer retrievals, online services and printed materials. The scope of data covers microscopic cross-sections and related parameters of nuclear reactions induced by neutrons, charged-particles and photons. (author)

  19. Co-ordination of the nuclear reaction data centers. Report on an IAEA advisory group meeting

    Energy Technology Data Exchange (ETDEWEB)

    Schwerer, O; Lemmel, H D [eds.

    1996-11-01

    This report summarizes the 1996 co-ordination meeting in Brookhaven, U.S.A., of the national and regional nuclear reaction data center, convened by the IAEA at regular intervals. The main topics are: the international exchange of nuclear reaction data by means of the ``EXFOR`` system, and the further development of this system; the ``CINDA`` system as an international index and bibliography to neutron reaction data; the sharing of the workload for speedy and reliable nuclear data compilation and data center services; the exchange and documentation of evaluated data libraries in ``ENDF`` format; the rapid advances of online electronic information technologies, with the goal of rendering data center services to data users in IAEA Member States by means of computer retrievals, online services and printed materials. The scope of data covers microscopic cross-sections and related parameters of nuclear reactions induced by neutrons, charged-particles and photons. (author). Refs, figs, tabs.

  20. Co-ordination of the nuclear reactions data centers. Report on an IAEA advisory group meeting

    Energy Technology Data Exchange (ETDEWEB)

    Pronyaev, V G; Schwerer, O [eds.

    1998-07-01

    This report summarizes the 1998 co-ordination meeting at the IAEA Headquarters in Vienna of the regional, national and specialized nuclear reaction data centers, concerned by the IAEA at two-year intervals. The main topics are: the international exchange of nuclear reaction data by means of the ``EXFOR`` system, and the further development of this system; the ``CINDA`` system as an international index and bibliography to neutron reaction data; the sharing of the workload for speedy and reliable nuclear data compilation and data center services; the exchange and documentation of evaluated data libraries in ``ENDF`` format; the rapid advances of online electronic information technologies, with goal of rendering data center services to data users in IAEA Member States by means of computer retrievals, online services and printed materials. The scope of data covers microscopic cross-sections and related parameters of nuclear reactions induced by neutrons, charged-particles and photons. (author) Refs, figs, tabs

  1. Weathering reactions and isometric log-ratio coordinates: Do they speak to each other?

    International Nuclear Information System (INIS)

    Buccianti, Antonella; Zuo, Renguang

    2016-01-01

    The aim of this contribution is to explore the relationship among some concepts, often considered to be unrelated, such as weathering reactions, compositional data and fractals by means of distribution analysis. Weathering reactions represent the necessary transfer of heat and entropy to the environment in geochemical cycles. Compositional data express the relative abundance of chemical elements/species in a given total (i.e. volume or weight). Fractals are temporal or spatial objects with self-similarity and scale-invariance, so that internal structures repeat themselves over multiple levels of magnification or scales of measurement. Gibbs's free energy and the application of the Law Mass Action can be used to model weathering reactions, under the hypothesis of chemical equilibrium. Compositional data are obtained in the analytical phase after the determination of the concentrations of chemicals in sampled solid, liquid or gaseous materials. Fractals can be measured by using their fractal dimensions. In this paper, the presence of fractal structures is observed when the frequency distribution of isometric log-ratio coordinates is investigated, showing the logarithm of the cumulative number of samples exceeding a certain coordinate value plotted against the coordinate value itself. Isometric log-ratio coordinates (or balances) were constructed by using the sequential binary partition (SBP) method. The balances were identified to maintain, as far as possible, the similarity with a corresponding weathering reaction affecting the Arno river catchment (Tuscany, central Italy) as described by the Law of Mass Action. The emergence of fractal structures indicates the presence of dissipative systems, which require complexity, large numbers of inter-connected elements and stochasticity. - Highlights: • Frequency distribution analysis links compositional data and fractals. • Isometric log-ratio coordinates simulate chemical reactions in weathering processes. • Fractal

  2. Summary report of first research coordination meeting on Minor Actinide Nuclear Reaction Data (MANREAD)

    International Nuclear Information System (INIS)

    Kaeppeler, F.; Mengoni, A.

    2008-09-01

    The first Research Co-ordination Meeting of the MANREAD (Minor Actinides Neutron Reaction Data) was held at the IAEA Headquarters in Vienna from 19 to 23 November 2007. A summary of the discussion which took place at the meeting is reported here. In addition, a task assignment list of the experimental data assessment activities was agreed, and is provided together with the plan for future CRP activities. (author)

  3. Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide

    International Nuclear Information System (INIS)

    Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi

    2015-01-01

    Four unexpected 2D lanthanide coordination polymers have been synthesized through in situ reactions of DMF solvent under solvothermal conditions. The isostructural complexes 1–3 contain four types of 2 1 helical chains. While the Nd(III) ions are bridged through μ 2 -HIDC 2− and oxalate to form a 2D sheet along the bc plane without helical character in 4. Therefore, complex 1 exhibits bright red solid-state phosphorescence upon exposure to UV radiation at room temperature. - Graphical abstract: Four unexpected 2D lanthanide coordination polymers have been synthesized through in situ reactions of solvent DMF to formate acid or oxalic acid under solvothermal conditions. The isostructural complexes 1–3 contain four types of different 2 1 helical chains in the 2D layer and 1 exhibits bright red solid-state phosphorescence upon UV radiation. - Highlights: • Four unexpected 2D lanthanide coordination compounds have been synthesized through in situ reactions under solvothermal conditions. • The complexes 1–3 contain four types of 2 1 helical chains in the layer. • Complex 1 exhibits bright red solid-state phosphorescence upon exposure to UV radiation at room temperature

  4. A generic coordinate system and a set of generic variables for MFE database

    International Nuclear Information System (INIS)

    Miner, W.H. Jr.; Ross, D.W.; Solano, E.R.; Valanju, P.M.; Wiley, J.C.

    1993-01-01

    Over the last several years, profile data from nine different tokamaks have been stored in the magnetic fusion energy database (MFEDB). These data sets have come from a variety of sources and most are given in different coordinate systems. In order to attempt any intermachine analysis, it is convenient to transform these data sets into one generic coordinate system and to choose a uniform set of variable names. The authors describe the data sets from each tokamak indicating the source of the data and the coordinate system in which it is given. Next, they discuss the generic coordinate that has been adopted and show how it is implemented for each tokamak. Finally, the generic naming convention that has been adopted is discussed. It follows closely that which was used by Christiansen et al. for the ITER Global Energy Confinement H-Mode Database. For further clarification, they discuss the characteristics of the magnetic geometry given a Fourier representation of the magnetic equilibria

  5. Physical attraction to reliable, low variability nervous systems: Reaction time variability predicts attractiveness.

    Science.gov (United States)

    Butler, Emily E; Saville, Christopher W N; Ward, Robert; Ramsey, Richard

    2017-01-01

    The human face cues a range of important fitness information, which guides mate selection towards desirable others. Given humans' high investment in the central nervous system (CNS), cues to CNS function should be especially important in social selection. We tested if facial attractiveness preferences are sensitive to the reliability of human nervous system function. Several decades of research suggest an operational measure for CNS reliability is reaction time variability, which is measured by standard deviation of reaction times across trials. Across two experiments, we show that low reaction time variability is associated with facial attractiveness. Moreover, variability in performance made a unique contribution to attractiveness judgements above and beyond both physical health and sex-typicality judgements, which have previously been associated with perceptions of attractiveness. In a third experiment, we empirically estimated the distribution of attractiveness preferences expected by chance and show that the size and direction of our results in Experiments 1 and 2 are statistically unlikely without reference to reaction time variability. We conclude that an operating characteristic of the human nervous system, reliability of information processing, is signalled to others through facial appearance. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Investigation Two Type of Absolute and Coordination Variability of Upper Limb Joints through Learning

    Directory of Open Access Journals (Sweden)

    Zahra Entezari Khorasani

    2018-03-01

    Conclusion:  Overall, it seems that wrist movement and wrist-elbow coordination are very important in free throw shooting skill. Also, the findings of this study showed that it is necessary to isolate mechanical and dynamical degrees of freedom in the measuring and discussing the Theories regarding the movement variability.

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

    Science.gov (United States)

    Hoffmann, Norbert

    2012-02-13

    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. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Preparation of Ultra-Fine Nickel Manganite Powders and Ceramics by a Solid-State Coordination Reaction

    NARCIS (Netherlands)

    Fang, Dao-lai; Wang, Zhongbing; Wang, Zhichun; Yang, Pinghua; Liu, W.; Liu, Wei; Winnubst, Aloysius J.A.; Chen, Chusheng

    2006-01-01

    A solid-state coordination reaction was adopted to prepare negative temperature coefficient ceramics. A mixed oxalate NiMn2(C2O4)3·6H2O, a coordination compound, was synthesized by milling a mixture of nickel acetate, manganese acetate, and oxalic acid for 5 h at room temperature. An ultrafine

  9. Globular Cluster Variable Stars—Atlas and Coordinate Improvement using AAVSOnet Telescopes (Abstract)

    Science.gov (United States)

    Welch, D.; Henden, A.; Bell, T.; Suen, C.; Fare, I.; Sills, A.

    2015-12-01

    (Abstract only) The variable stars of globular clusters have played and continue to play a significant role in our understanding of certain classes of variable stars. Since all stars associated with a cluster have the same age, metallicity, distance and usually very similar (if not identical reddenings), such variables can produce uniquely powerful constraints on where certain types of pulsation behaviors are excited. Advanced amateur astronomers are increasingly well-positioned to provide long-term CCD monitoring of globular cluster variable star but are hampered by a long history of poor or inaccessible finder charts and coordinates. Many of variable-rich clusters have published photographic finder charts taken in relatively poor seeing with blue-sensitive photographic plates. While useful signal-to-noise ratios are relatively straightforward to achieve for RR Lyrae, Type 2 Cepheids, and red giant variables, correct identification remains a difficult issue—particularly when images are taken at V or longer wavelengths. We describe the project and report its progress using the OC61, TMO61, and SRO telescopes of AAVSOnet after the first year of image acquisition and demonstrate several of the data products being developed for globular cluster variables.

  10. The Dirac equation in external fields: Variable separation in Cartesian coordinates

    International Nuclear Information System (INIS)

    Shishkin, G.V.; Cabos, W.D.

    1991-01-01

    The method of separation of variables in the Dirac equation proposed in an earlier work by one of the present authors [J. Math. Phys. 30, 2132 (1989)] is developed for the complete set of interactions of the Dirac particle. The essence of the method consists of the separation of the first-order matrix differential operators that define the dependence of the Dirac bispinor on the related variables, but commutation of such operators with or between the operator of the equation is not assumed. This approach, which is perfectly justified in the presence of gravitational [Theor. Math. Phys. 70, 204 (1987)] or vector fields [J. Math. Phys. 30, 2132 (1989)], permits one to find all the possibilities of separation of variables in the Dirac equation in the case of the most general set of external fields. The complete set of interactions of the Dirac particle is determined by the symmetry group of equations, namely, viz. the SU(4) group. The interactions are scalar, vector, tensor, pseudovector and pseudoscalar. The analysis in this article is limited to Cartesian coordinates. The corresponding results for the general curvilinear coordinates will be presented in a future paper

  11. Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.

    Science.gov (United States)

    Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying

    2018-01-28

    By synergistic combination of multicomponent self-assembly and template-directed approaches, triply interlocked metal organic catenanes that consist of two isolated chirally identical tetrahedrons were constructed and stabilized as thermodynamic minima. In the presence of suitable template anions, the structural conversion from the isolated tetrahedral conformers into locked catenanes occurred via the cleavage of an intrinsically reversible coordination bond in each of the tetrahedrons, followed by the reengineering and interlocking of two fragments with the regeneration of the broken coordination bonds. The presence of several kinds of individual pocket that were attributed to the triply interlocked patterns enabled the possibility of encapsulating different anions, allowing the dynamic allostery between the unlocked/locked conformers to promote the dehalogenation reaction of 3-bromo-cyclohexene efficiently, as with the use of dehalogenase enzymes. The interlocked structures could be unlocked into two individual tetrahedrons through removal of the well-matched anion templates. The stability and reversibility of the locked/unlocked structures were further confirmed by the catching/releasing process that accompanied emission switching, providing opportunities for the system to be a dynamic molecular logic system.

  12. Calculation of nuclear reaction parameters with the generator co-ordinate method and their interpretation

    International Nuclear Information System (INIS)

    Beck, R.; Mihailovic, M.V.; Poljsak, M.

    1980-05-01

    Collisions between complex nuclei are described variationally in terms of the GCM with the aim to provide an evidence that it is a manageable calculational procedure. The variational principle of Kohn and Kato is used to derive the expression for the K matrix. The space of scattering states is spanned entirely by antisymmetrized products of shell model wave functions describing separate clusters; the generator coordinate is the separation between the two shell model potentials. Scattering boundary conditions are enforced by solving an integral equation for the channel GC amplitude in each open channel separately. The main part of evaluation of collision parameters is performed by calculating double integrals of a form factor between channel GC amplitudes. A theorem about a property of the form factors is proved which allows reduction of the amount of work needed to calculate double integrals. The application of the method to the elastic 3 H to 4 He scattering has shown the feasibility of the calculation. It is shown how an analysis of calculated scattering parameters and corresponding scattering states in terms of quasibound states enables one to make a consistent comparison with experiment and to extract some knowledge of the reaction mechanism. Finally a comparative list of the calculational procedures of the GCM and RGM for reactions is made. (author)

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

    KAUST Repository

    Chen, Shuli

    2013-09-17

    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.

  14. Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) H(2) + CH(3).

    Science.gov (United States)

    Banks, Simon T; Clary, David C

    2009-01-14

    We consider the general problem of vibrational analysis at nonglobally optimized points on a reduced dimensional reaction surface. We discuss the importance of the use of curvilinear internal coordinates to describe molecular motion and derive a curvilinear projection operator to remove the contribution of nonzero gradients from the Hessian matrix. Our projection scheme is tested in the context of a two-dimensional quantum scattering calculation for the reaction H + CH(4) --> H(2) + CH(3) and its reverse H(2) + CH(3) --> H + CH(4). Using zero-point energies calculated via rectilinear and curvilinear projections we construct two two-dimensional, adiabatically corrected, ab initio reaction surfaces for this system. It is shown that the use of curvilinear coordinates removes unphysical imaginary frequencies observed with rectilinear projection and leads to significantly improved thermal rate constants for both the forward and reverse reactions.

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

    KAUST Repository

    Chen, Shuli; Chiew, Jun Xuan; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak Hing

    2013-01-01

    , 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

  16. Specific solvent effect on lumazine photophysics: A combined fluorescence and intrinsic reaction coordinate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Moyon, N. Shaemningwar; Gashnga, Pynsakhiat Miki; Phukan, Smritakshi; Mitra, Sivaprasad, E-mail: smitra@nehu.ac.in

    2013-06-27

    Highlights: • Correlation of lumazine photophysics with multiparametric Kamlet–Taft equation. • Solvent basicity (β) contributes maximum towards the hydrogen bonding (HB) effect. • HB interaction occurs at N1 and N3 proton in S{sub 0} and S{sub 1} state, respectively. • IRC calculation for different tautomerization processes both in S{sub 0} and S{sub 1} states. • Process related to riboflavin biosynthesis is thermodynamically feasible. - Abstract: The photophysical properties and tautomerization behavior of neutral lumazine were studied by fluorescence spectroscopy and density functional theory calculation. A quantitative estimation of the contributions from different solvatochromic parameters, like solvent polarizibility (π{sup ∗}), hydrogen bond donation (α) and hydrogen bond accepting (β) ability of the solvent, was made using linear free energy relationships based on the Kamlet–Taft equation. The analysis reveals that the hydrogen bond acceptance ability of the solvent is the most important parameter characterizing the excited state behavior of lumazine. Theoretical calculations result predict an extensive charge redistribution of lumazine upon excitation corresponding to the N3 and N1 proton dissociation sites by solvents in the ground and excited states, respectively. Comparison of S{sub 0} and S{sub 1} state potential energy curves constructed for several water mediated tautomerization processes by intrinsic reaction coordinate analysis of lumazine-H{sub 2}O cluster shows that (3,2) and (1,8) hydrogen migrations are the most favorable processes upon excitation.

  17. Metal phosphonate coordination networks and frameworks as precursors of electrocatalysts for the hydrogen and oxygen evolution reactions

    Science.gov (United States)

    Zhang, Rui; El-Refaei, Sayed M.; Russo, Patrícia A.; Pinna, Nicola

    2018-05-01

    The hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) play key roles in the conversion of energy derived from renewable energy sources into chemical energy. Efficient, robust, and inexpensive electrocatalysts are necessary for driving these reactions at high rates at low overpotentials and minimize energetic losses. Recently, electrocatalysts derived from hybrid metal phosphonate compounds have shown high activity for the HER or OER. We review here the utilization of metal phosphonate coordination networks and metal-organic frameworks as precursors/templates for transition-metal phosphides, phosphates, or oxyhydroxides generated in situ in alkaline solutions, and their electrocatalytic performance in HER or OER.

  18. Effects of modified Pilates on variability of inter-joint coordination during walking in the elderly.

    Science.gov (United States)

    Yoon, Sukhoon; Kim, Joo Nyeon; Lim, Hee Sung

    2016-12-01

    [Purpose] This study aimed to examine the effects of an 8-week modified Pilates program on the variability of inter-joint coordination in the elderly during walking. [Subjects and Methods] Twenty elderly participants with no recent history of orthopedic abnormalities (age, 67.9 ± 2.7 years; height, 163.7 ± 8.9 cm; weight, 67.1 ± 11.6 kg) were recruited for this study and randomly allocated to a modified Pilates exercise group or a control group. Three-dimensional motion analysis was performed on both groups to evaluate the effects of the Pilates exercise. [Results] There was no significant difference in the joint variability of the ankle, knee, and hip joints between the groups, both before training and after training. However, there was a significant increase in the hip-knee deviation phase value in the exercise group after the program was completed, and this increase was also significant when compared with that in the control group. [Conclusion] This study has demonstrated that an 8-week modified Pilates exercise program can have a positive impact on the gait of elderly participants, potentially by enhancing neuromuscular adjustment, which may have positive implications for reducing their fall risk.

  19. The coordination chemistry of nitrosyl in cyanoferrates. An exhibit of bioinorganic relevant reactions.

    Science.gov (United States)

    Olabe, José A

    2008-07-28

    Sodium nitroprusside (SNP, Na(2)[Fe(CN)(5)(NO)].2H(2)O) is a widely used NO-donor hypotensive agent, containing the formally described nitrosonium (NO(+)) ligand, which may be redox-interconverted to the corresponding one-electron (NO) and two-electron (NO(-)/HNO) reduced bound species. Thus, the chemistry of the three nitrosyl ligands may be explored with adequate, biologically relevant substrates. The nitrosonium complex, [Fe(CN)(5)(NO)](2-), is formed through a reductive nitrosylation reaction of [Fe(III)(CN)(5)(H(2)O)](2-) with NO, or, alternatively, through the coordination of NO(2)(-) to [Fe(II)(CN)(5)(H(2)O)](3-) and further proton-assisted dehydration. It is extremely inert toward NO(+)-dissociation, and behaves as an electrophile toward different bases: OH(-), amines, thiolates, etc. Also, SNP releases NO upon UV-vis photo-activation, with formation of [Fe(III)(CN)(5)(H(2)O)](2-). The more electron rich [Fe(CN)(5)(NO)](3-) may be prepared from [Fe(II)(CN)(5)(H(2)O)](3-) and NO, and is also highly inert toward the dissociation of NO (k = 1.6 x 10(-5) s(-1), 25.0 degrees C, pH 10.2). It reacts with O(2) leading to SNP, with the intermediacy of a peroxynitrite adduct. The [Fe(CN)(5)(NO)](3-) ion is labile toward the release of trans-cyanide, forming the [Fe(CN)(4)(NO)](2-) ion. Both complexes exist in a pH-dependent equilibrium, and decompose thermally in the hours time scale, releasing cyanides and NO. The latter may further bind to [Fe(CN)(4)(NO)](2-) with formation of a singlet dinitrosyl species, [Fe(CN)(4)(NO)(2)](2-), which in turn is unstable toward disproportionation into SNP and N(2)O, and toward the parallel formation of a tetrahedral paramagnetic dinitrosyl compound, [Fe(CN)(2)(NO)(2)]. Emerging studies with the putative nitroxyl complex, [Fe(CN)(5)(HNO)](3-), should allow for a complete picture of the three nitrosyl ligands in the same pentacyano fragment. The present Perspective, based on an adequate characterization of structural and

  20. Microwave-Assisted Synthesis of Nanoporous Aluminum-Based Coordination Polymers as Catalysts for Selective Sulfoxidation Reaction

    Directory of Open Access Journals (Sweden)

    Madhan Vinu

    2017-10-01

    Full Text Available A series of aluminum-based coordination polymers or metal–organic frameworks (Al–MOFs, i.e., DUT-4, DUT-5, MIL-53, NH2-MIL-53, and MIL-100, have been facile prepared by microwave (MW-assisted reactions and used as catalysts for selective sulfoxidation reactions. The MW-assisted synthesis drastically reduced the reaction time from few days to hours. The prepared MOFs have smaller and uniform particle sizes and better yield compared to conventional hydrothermal method. Furthermore, the Al–MOFs have been successfully demonstrated as catalysts in oxidation reaction of methyl phenyl sulfide with H2O2 as oxidant, even under mild conditions, with more than 95% conversion.

  1. Report on the consultants' meeting on co-ordination of the nuclear reaction data centres. (Technical aspects)

    International Nuclear Information System (INIS)

    Schwerer, O.; Lammer, M.; Pronyaev, V.G.

    1999-08-01

    This report summarizes the 1999 Co-ordination Meeting on Technical Aspects of the Co-operation of the Nuclear Reaction Data Centres, hold at the IAEA Headquarters in Vienna, Austria, 18 to 20 May 1999. The meeting was attended by scientists from 11 Nuclear Data Centres from 7 Member States and 2 International Organizations. The present document contains a meeting summary, the conclusions and actions, and progress reports of the Participating Data Centres. (author)

  2. Report on the IAEA consultants' meeting on the co-ordination of nuclear reaction data centres (technical aspects)

    Energy Technology Data Exchange (ETDEWEB)

    Schwerer, O [International Atomic Energy Agency, Nuclear Data Section, Vienna (Austria)

    2001-07-01

    This report summarizes the results of the IAEA Consultants' Meeting on the Co-ordination of Nuclear Reaction Data Centres (Technical Aspects), held at the IAEA Headquarters, Vienna, Austria, 28 to 30 May 2001. The meeting was attended by 16 participants from 10 co-operating data centres from six Member States and two International Organizations. The report contains a meeting summary, the conclusions and actions, progress and status reports of the participating data centres and working papers considered at the meeting. (author)

  3. Electrochemical reactions at sacrificial electrodes : Part VI. Synthesis of cadmium alkoxides and their coordination compounds

    International Nuclear Information System (INIS)

    Banait, J.S.; Singh, Baljit

    1991-01-01

    Cadmium alkoxides [Cd(OR) 2 ; R=methyl, ethyl, n-propyl, n-butyl and n-amyl], have been synthesised by the electrolysis of alcohols at a cadmium anode. These alkoxides do not form coordination compounds when refluxed with the ligands like 2,2'-bipyridine, 1,10-phenanthroline, dimethylsulphoxide and acetone. However, coordination compounds with the general formula, Cd(OR) 2 .L, have been prepared when the solutions of these ligands in alcohols are electrolysed at a cadmium anode. The products have been characterised by elemental analyses and IR data. Current efficiencies of all these systems are quite high. (author). 21 refs., 2 tabs

  4. Age and Sex Differences in Intra-Individual Variability in a Simple Reaction Time Task

    Science.gov (United States)

    Ghisletta, Paolo; Renaud, Olivier; Fagot, Delphine; Lecerf, Thierry; de Ribaupierre, Anik

    2018-01-01

    While age effects in reaction time (RT) tasks across the lifespan are well established for level of performance, analogous findings have started appearing also for indicators of intra-individual variability (IIV). Children are not only slower, but also display more variability than younger adults in RT. Yet, little is known about potential…

  5. O-, N-Atoms-Coordinated Mn Cofactors within a Graphene Framework as Bioinspired Oxygen Reduction Reaction Electrocatalysts.

    Science.gov (United States)

    Yang, Yang; Mao, Kaitian; Gao, Shiqi; Huang, Hao; Xia, Guoliang; Lin, Zhiyu; Jiang, Peng; Wang, Changlai; Wang, Hui; Chen, Qianwang

    2018-05-28

    Manganese (Mn) is generally regarded as not being sufficiently active for the oxygen reduction reaction (ORR) compared to other transition metals such as Fe and Co. However, in biology, manganese-containing enzymes can catalyze oxygen-evolving reactions efficiently with a relative low onset potential. Here, atomically dispersed O and N atoms coordinated Mn active sites are incorporated within graphene frameworks to emulate both the structure and function of Mn cofactors in heme-copper oxidases superfamily. Unlike previous single-metal catalysts with general M-N-C structures, here, it is proved that a coordinated O atom can also play a significant role in tuning the intrinsic catalytic activities of transition metals. The biomimetic electrocatalyst exhibits superior performance for the ORR and zinc-air batteries under alkaline conditions, which is even better than that of commercial Pt/C. The excellent performance can be ascribed to the abundant atomically dispersed Mn cofactors in the graphene frameworks, confirmed by various characterization methods. Theoretical calculations reveal that the intrinsic catalytic activity of metal Mn can be significantly improved via changing local geometry of nearest coordinated O and N atoms. Especially, graphene frameworks containing the Mn-N 3 O 1 cofactor demonstrate the fastest ORR kinetics due to the tuning of the d electronic states to a reasonable state. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Report on the IAEA technical meeting on co-ordination of the network of nuclear reaction data centres

    International Nuclear Information System (INIS)

    Schwerer, O.

    2003-08-01

    Results of the IAEA Technical Meeting on the Co-ordination of the Network of Nuclear Reaction Data Centres held at the IAEA Headquarters, Vienna, Austria, 17 to 19 June 2003, are summarised in this report. The meeting was attended by 14 participants from 9 cooperating data centres of five member states and two International Organizations. A meeting summary, the conclusions and actions, progress and status reports of the participating data centres, and working papers considered at the meeting, are given in the relevant sections. (author)

  7. Report on the consultants` meeting on co-ordination of the nuclear reaction data centers (technical aspects)

    Energy Technology Data Exchange (ETDEWEB)

    Schwerer, O; Wienke, H [eds.

    1997-10-01

    The report summarizes the co-ordination meeting of the network of Nuclear Reaction Data Centres organized by the IAEA in 1997. The meeting was attended by technical staff from ten member centres of the network (representing USA, Russia, China, Japan, Hungary, OECD-NEA and IAEA) to discuss technical matters of the nuclear data compilation and exchange by means of the jointly operated computerized systems CINDA, EXFOR, ENDF and others. Observers from Belgium and Ukraine also attended the meeting. The document includes status reports of all centres and selected working papers. Refs, figs, tabs.

  8. Report on the consultants' meeting on co-ordination of the nuclear reaction data centers (technical aspects)

    International Nuclear Information System (INIS)

    Schwerer, O.; Wienke, H.

    1997-10-01

    The report summarizes the co-ordination meeting of the network of Nuclear Reaction Data Centres organized by the IAEA in 1997. The meeting was attended by technical staff from ten member centres of the network (representing USA, Russia, China, Japan, Hungary, OECD-NEA and IAEA) to discuss technical matters of the nuclear data compilation and exchange by means of the jointly operated computerized systems CINDA, EXFOR, ENDF and others. Observers from Belgium and Ukraine also attended the meeting. The document includes status reports of all centres and selected working papers

  9. Intraindividual Stepping Reaction Time Variability Predicts Falls in Older Adults With Mild Cognitive Impairment

    OpenAIRE

    Bunce, D; Haynes, BI; Lord, SR; Gschwind, YJ; Kochan, NA; Reppermund, S; Brodaty, H; Sachdev, PS; Delbaere, K

    2017-01-01

    Background: Reaction time measures have considerable potential to aid neuropsychological assessment in a variety of health care settings. One such measure, the intraindividual reaction time variability (IIV), is of particular interest as it is thought to reflect neurobiological disturbance. IIV is associated with a variety of age-related neurological disorders, as well as gait impairment and future falls in older adults. However, although persons diagnosed with Mild Cognitive Impairment (MCI)...

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

    International Nuclear Information System (INIS)

    Chen Jianshan; Sheng Tianlu; Hu Shengmin; Xiang Shengchang; Fu Ruibiao; Zhu Qilong; Wu Xintao

    2012-01-01

    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 2 O) 2 ] n (3), [Cu(cbop) 2 (4,4′-bipy)(H 2 O)] n (4) (cbop=(S)-N-(4-cyanobenzoic)-5-oxoproline, 4,4′-bipy=4,4′-bipyridine), {[Cu(nbop) 2 (4,4′-bipy)]·4H 2 O} n (5) (nbop=(S)-N-(4-nitrobenzoic)-5-oxoproline), {[Cd(nbop) 2 (4,4′-bipy)]·2H 2 O} n (6), and [Ni(nbop) 2 (4,4′-bipy)(H 2 O) 2 ] 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′-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: ► Two new chiral aminocarboxylate derivates were firstly synthesized. ► Five new homochiral metal organic complexes were obtained hydrothermally based on these ligands. ► Intramolecular amidation was taken place on the aminocarboxylate derivates during the formation of these complexes. ► In situ amidation may be due to the impact of 4,4′-bipyridine. ► The homochiral complexes are nonlinear optical active.

  11. Continuous performance task in ADHD: Is reaction time variability a key measure?

    Science.gov (United States)

    Levy, Florence; Pipingas, Andrew; Harris, Elizabeth V; Farrow, Maree; Silberstein, Richard B

    2018-01-01

    To compare the use of the Continuous Performance Task (CPT) reaction time variability (intraindividual variability or standard deviation of reaction time), as a measure of vigilance in attention-deficit hyperactivity disorder (ADHD), and stimulant medication response, utilizing a simple CPT X-task vs an A-X-task. Comparative analyses of two separate X-task vs A-X-task data sets, and subgroup analyses of performance on and off medication were conducted. The CPT X-task reaction time variability had a direct relationship to ADHD clinician severity ratings, unlike the CPT A-X-task. Variability in X-task performance was reduced by medication compared with the children's unmedicated performance, but this effect did not reach significance. When the coefficient of variation was applied, severity measures and medication response were significant for the X-task, but not for the A-X-task. The CPT-X-task is a useful clinical screening test for ADHD and medication response. In particular, reaction time variability is related to default mode interference. The A-X-task is less useful in this regard.

  12. Effects of chemical reaction on moving isothermal vertical plate with variable mass diffusion

    Directory of Open Access Journals (Sweden)

    Muthucumaraswamy R.

    2003-01-01

    Full Text Available An exact solution to the problem of flow past an impulsively started infinite vertical isothermal plate with variable mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. The dimensionless governing equations are solved by using the Laplace - transform technique. The velocity and skin-friction are studied for different parameters like chemical reaction parameter, Schmidt number and buoyancy ratio parameter. It is observed that the veloc­ity increases with decreasing chemical reaction parameter and increases with increasing buoyancy ratio parameter.

  13. Reaction Time Variability in Children With ADHD Symptoms and/or Dyslexia

    OpenAIRE

    Gooch, Debbie; Snowling, Margaret J.; Hulme, Charles

    2012-01-01

    Reaction time (RT) variability on a Stop Signal task was examined among children with attention deficit hyperactivity disorder (ADHD) symptoms and/or dyslexia in comparison to typically developing (TD) controls. Children’s go-trial RTs were analyzed using a novel ex-Gaussian method. Children with ADHD symptoms had increased variability in the fast but not the slow portions of their RT distributions compared to those without ADHD symptoms. The RT distributions of children with d...

  14. A variable reaction rate model for chlorine decay in drinking water due to the reaction with dissolved organic matter.

    Science.gov (United States)

    Hua, Pei; Vasyukova, Ekaterina; Uhl, Wolfgang

    2015-05-15

    A second order kinetic model for simulating chlorine decay in bulk water due to the reaction with dissolved organic matter (DOM) was developed. It takes into account the decreasing reactivity of dissolved organic matter using a variable reaction rate coefficient (VRRC) which decreases with an increasing conversion. The concentration of reducing species is surrogated by the maximum chlorine demand. Temperature dependency, respectively, is described by the Arrhenius-relationship. The accuracy and adequacy of the proposed model to describe chlorine decay in bulk water were evaluated and shown for very different waters and different conditions such as water mixing or rechlorination by applying statistical tests. It is thus very well suited for application in water quality modeling for distribution systems. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Separation of variables for the nonlinear wave equation in polar coordinates

    International Nuclear Information System (INIS)

    Shermenev, Alexander

    2004-01-01

    Some classical types of nonlinear wave motion in polar coordinates are studied within quadratic approximation. When the nonlinear quadratic terms in the wave equation are arbitrary, the usual perturbation techniques used in polar coordinates leads to overdetermined systems of linear algebraic equations for the unknown coefficients. However, we show that these overdetermined systems are compatible with the special case of the nonlinear shallow water equation and express explicitly the coefficients of the first two harmonics as polynomials of the Bessel functions of radius and of the trigonometric functions of angle. It gives a series of solutions to the nonlinear shallow water equation that are periodic in time and found with the same accuracy as the equation is derived

  16. Contributions of cell growth and biochemical reactions to nongenetic variability of cells.

    NARCIS (Netherlands)

    Schwabe, A.; Bruggeman, F.J.

    2014-01-01

    Cell-to-cell variability in the molecular composition of isogenic, steady-state growing cells arises spontaneously from the inherent stochasticity of intracellular biochemical reactions and cell growth. Here, we present a general decomposition of the total variance in the copy number per cell of a

  17. Two-phase strategy of neural control for planar reaching movements: I. XY coordination variability and its relation to end-point variability.

    Science.gov (United States)

    Rand, Miya K; Shimansky, Yury P

    2013-03-01

    A quantitative model of optimal transport-aperture coordination (TAC) during reach-to-grasp movements has been developed in our previous studies. The utilization of that model for data analysis allowed, for the first time, to examine the phase dependence of the precision demand specified by the CNS for neurocomputational information processing during an ongoing movement. It was shown that the CNS utilizes a two-phase strategy for movement control. That strategy consists of reducing the precision demand for neural computations during the initial phase, which decreases the cost of information processing at the expense of lower extent of control optimality. To successfully grasp the target object, the CNS increases precision demand during the final phase, resulting in higher extent of control optimality. In the present study, we generalized the model of optimal TAC to a model of optimal coordination between X and Y components of point-to-point planar movements (XYC). We investigated whether the CNS uses the two-phase control strategy for controlling those movements, and how the strategy parameters depend on the prescribed movement speed, movement amplitude and the size of the target area. The results indeed revealed a substantial similarity between the CNS's regulation of TAC and XYC. First, the variability of XYC within individual trials was minimal, meaning that execution noise during the movement was insignificant. Second, the inter-trial variability of XYC was considerable during the majority of the movement time, meaning that the precision demand for information processing was lowered, which is characteristic for the initial phase. That variability significantly decreased, indicating higher extent of control optimality, during the shorter final movement phase. The final phase was the longest (shortest) under the most (least) challenging combination of speed and accuracy requirements, fully consistent with the concept of the two-phase control strategy. This paper

  18. VARIABILITY OF COORDINATION COMPLEXES OF COPPER ACCUMULATED WITHIN FUNGAL COLONY IN THE PRESENCE OF COPPER-CONTAINING MINERALS

    Directory of Open Access Journals (Sweden)

    M. O. Fomina

    2014-04-01

    Full Text Available The aim of work was to elucidate the mechanisms of bioaccumulation of copper leached from minerals by fungus Aspergillus niger with great bioremedial potential due to its ability to produce chelating metabolites and transform toxic metals and minerals. The special attention was paid to the chemical speciation of copper bioaccumulated within fungal colony in the process of fungal transformation of copper-containing minerals. Chemical speciation of copper within different parts of the fungal colony was studied using solid-state chemistry methods such as synchrotron-based X-ray absorption spectroscopy providing information about the oxidation state of the target element, and its coordination environment. The analysis of the obtained X-ray absorption spectroscopy spectra was carried out using Fourier transforms of Extended X-ray Absorption Fine Structure regions, which correspond to the oscillating part of the spectrum to the right of the absorption edge. Results of this study showed that fungus A. niger was involved in the process of solubilization of copper-containing minerals resulted in leaching of mobile copper and its further immobilization by fungal biomass with variable coordination of accumulated copper within fungal colony which depended on the age and physiological/reproductive state of fungal mycelium. X-ray absorption spectroscopy data demonstrated that copper accumulated within outer zone of fungal colony with immature vegetative mycelium was coordinated with sulphur–containing ligands, in contrast to copper coordination with phosphate ligands within mature mycelium with profuse conidia in the central zone of the colony. The findings of this study not only broaden our understanding of the biogeochemical role of fungi but can also be used in the development of various fungal-based biometallurgy technologies such as bioremediation, bioaccumulation and bioleaching and in the assessment of their reliability. The main conclusion is that

  19. Resting heart rate variability is associated with ex-Gaussian metrics of intra-individual reaction time variability.

    Science.gov (United States)

    Spangler, Derek P; Williams, DeWayne P; Speller, Lassiter F; Brooks, Justin R; Thayer, Julian F

    2018-03-01

    The relationships between vagally mediated heart rate variability (vmHRV) and the cognitive mechanisms underlying performance can be elucidated with ex-Gaussian modeling-an approach that quantifies two different forms of intra-individual variability (IIV) in reaction time (RT). To this end, the current study examined relations of resting vmHRV to whole-distribution and ex-Gaussian IIV. Subjects (N = 83) completed a 5-minute baseline while vmHRV (root mean square of successive differences; RMSSD) was measured. Ex-Gaussian (sigma, tau) and whole-distribution (standard deviation) estimates of IIV were derived from reaction times on a Stroop task. Resting vmHRV was found to be inversely related to tau (exponential IIV) but not to sigma (Gaussian IIV) or the whole-distribution standard deviation of RTs. Findings suggest that individuals with high vmHRV can better prevent attentional lapses but not difficulties with motor control. These findings inform the differential relationships of cardiac vagal control to the cognitive processes underlying human performance. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  20. High Oxygen Reduction Reaction Performances of Cathode Materials Combining Polyoxometalates, Coordination Complexes, and Carboneous Supports.

    Science.gov (United States)

    Zhang, Shuangshuang; Oms, Olivier; Hao, Long; Liu, Rongji; Wang, Meng; Zhang, Yaqin; He, Hong-Yan; Dolbecq, Anne; Marrot, Jérôme; Keita, Bineta; Zhi, Linjie; Mialane, Pierre; Li, Bin; Zhang, Guangjin

    2017-11-08

    A series of carbonaceous-supported precious-metal-free polyoxometalate (POM)-based composites which can be easily synthesized on a large scale was shown to act as efficient cathode materials for the oxygen reduction reaction (ORR) in neutral or basic media via a four-electron mechanism with high durability. Moreover, exploiting the versatility of the considered system, its activity was optimized by the judicious choice of the 3d metals incorporated in the {(PW 9 ) 2 M 7 } (M = Co, Ni) POM core, the POM counterions and the support (thermalized triazine-based frameworks (TTFs), fluorine-doped TTF (TTF-F), reduced graphene oxide, or carbon Vulcan XC-72. In particular, for {(PW 9 ) 2 Ni 7 }/{Cu(ethylenediamine) 2 }/TTF-F, the overpotential required to drive the ORR compared well with those of Pt/C. This outstanding ORR electrocatalytic activity is linked with two synergistic effects due to the binary combination of the Cu and Ni centers and the strong interaction between the POM molecules and the porous and highly conducting TTF-F framework. To our knowledge, {(PW 9 ) 2 Ni 7 }/{Cu(ethylenediamine) 2 }/TTF-F represents the first example of POM-based noble-metal-free ORR electrocatalyst possessing both comparable ORR electrocatalytic activity and much higher stability than that of Pt/C in neutral medium.

  1. Coordinating the effects of multiple variables: a skill fundamental to scientific thinking.

    Science.gov (United States)

    Kuhn, Deanna; Pease, Maria; Wirkala, Clarice

    2009-07-01

    The skill of predicting outcomes based on simultaneous effects of multiple factors was examined. Over five sessions, 91 sixth graders engaged this task either individually or in pairs and either preceded or followed by six sessions on the more widely studied inquiry task that requires designing and interpreting experiments to identify individual effects. Final assessment, while indicating a high level of mastery on the inquiry task, showed progress but continuing conceptual challenges on the multivariable prediction task having to do with understanding of variables, variable levels, and consistency of a variable's operation across occasions. Task order had a significant but limited effect, and social collaboration conferred only a temporary benefit that disappeared in a final individual assessment. In a follow-up study, the lack of effect of social collaboration was confirmed, as was that of feedback on incorrect answers. Although fundamental to science, the concept that variables operate jointly and, under equivalent conditions, consistently across occasions is one that children appear to acquire only gradually and, therefore, one that cannot be assumed to be in place.

  2. Acoustic signal processing for the detection of sodium boiling or sodium-water reaction in LMFRs. Final report of a co-ordinated research programme 1990-1995

    International Nuclear Information System (INIS)

    1997-05-01

    This report is a summary of the work performed under a co-ordinated research programme entitled Acoustic Signal Processing for the Detection of Sodium Boiling or Sodium-Water Reaction in Liquid Metal Cooled Fast Reactors. The programme was organized by the IAEA and carried out from 1990 to 1995. It was the continuation of an earlier research co-ordination programme entitled Signal Processing Techniques for Sodium Boiling Noise Detection, which was carried out from 1984 to 1989. Refs, figs, tabs

  3. Exact statistical results for binary mixing and reaction in variable density turbulence

    Science.gov (United States)

    Ristorcelli, J. R.

    2017-02-01

    We report a number of rigorous statistical results on binary active scalar mixing in variable density turbulence. The study is motivated by mixing between pure fluids with very different densities and whose density intensity is of order unity. Our primary focus is the derivation of exact mathematical results for mixing in variable density turbulence and we do point out the potential fields of application of the results. A binary one step reaction is invoked to derive a metric to asses the state of mixing. The mean reaction rate in variable density turbulent mixing can be expressed, in closed form, using the first order Favre mean variables and the Reynolds averaged density variance, ⟨ρ2⟩ . We show that the normalized density variance, ⟨ρ2⟩ , reflects the reduction of the reaction due to mixing and is a mix metric. The result is mathematically rigorous. The result is the variable density analog, the normalized mass fraction variance ⟨c2⟩ used in constant density turbulent mixing. As a consequence, we demonstrate that use of the analogous normalized Favre variance of the mass fraction, c″ ⁣2˜ , as a mix metric is not theoretically justified in variable density turbulence. We additionally derive expressions relating various second order moments of the mass fraction, specific volume, and density fields. The central role of the density specific volume covariance ⟨ρ v ⟩ is highlighted; it is a key quantity with considerable dynamical significance linking various second order statistics. For laboratory experiments, we have developed exact relations between the Reynolds scalar variance ⟨c2⟩ its Favre analog c″ ⁣2˜ , and various second moments including ⟨ρ v ⟩ . For moment closure models that evolve ⟨ρ v ⟩ and not ⟨ρ2⟩ , we provide a novel expression for ⟨ρ2⟩ in terms of a rational function of ⟨ρ v ⟩ that avoids recourse to Taylor series methods (which do not converge for large density differences). We have derived

  4. Theoretical study of chemical reaction effects on vertical oscillating plate with variable temperature

    Directory of Open Access Journals (Sweden)

    Muthucumaraswamy R.

    2006-01-01

    Full Text Available An exact solution to the flow of a viscous incompressible unsteady flow past an infinite vertical oscillating plate with variable temperature and mass diffusion is presented here, taking into account of the homogeneous chemical reaction of first-order. Both the plate temperature and the concentration level near the plate are raised linearly with respect to time. The dimensionless governing equations has been obtained by the Laplace transform method, when the plate is oscillating harmonically in its own plane. The effects of velocity and concentration are studied for different parameters like phase angle, chemical reaction parameter, thermal Grashof number, mass Grashof number, Schmidt number and time are studied. The solutions are valid only for small values of time t. It is observed that the velocity increases with decreasing phase angle ωt or chemical reaction parameter. .

  5. Parameters for calculation of nuclear reactions of relevance to non-energy nuclear applications (Reference Input Parameter Library: Phase III). Summary report of the first research coordination meeting

    International Nuclear Information System (INIS)

    Capote Noy, R.

    2004-08-01

    A summary is given of the First Research Coordination Meeting on Parameters for Calculation of Nuclear Reactions of Relevance to Non-Energy Nuclear Applications (Reference Input Parameter Library: Phase III), including a critical review of the RIPL-2 file. The new library should serve as input for theoretical calculations of nuclear reaction data at incident energies up to 200 MeV, as needed for energy and non-energy modern applications of nuclear data. Technical discussions and the resulting work plan of the Coordinated Research Programme are summarized, along with actions and deadlines. Participants' contributions to the RCM are also attached. (author)

  6. Analysis of agility, reaction time and balance variables at badminton players aged 9-14 years

    Directory of Open Access Journals (Sweden)

    Seydi Ahmet Ağaoğlu

    2017-12-01

    Full Text Available Aim: The aim of this study was investigated agility, static and dynamic balance and reaction time variables of badminton players aged between 9-14 and relate with among variables. Material and Methods: In Samsun, 19 males (sport age, 3.42±1.64 years and 12 females (3.00±1.28 years active badminton players were voluntarily participated in who are in 9-14 ages range. Agility was measured by “T” test, CSMI-Tecnobody Pk-252 isokinetic balance system measuring instrument was used to test static balance and dynamic balance and Mozart Lafayette reaction measuring instrument was used to test visual and auditory reaction times of players. Spearman correlation analysis was applied so as to correlation analysis. The level of significance was taken as p<0.05. Results: For female athletes, a positive relation was determined between the agility and the perimeter (mm used (r=0.727; p<0.01 through the static balance measure double foot and eyes are open. For male athletes, a positive relation was determined between the visual reaction time and the perimeter (mm used (r=0.725; p<0.01 through the static balance measure dominant foot and eyes are open. For male and female athletes were not found any correlation between reaction time and dynamic balance. Conclusion: It was determined that audio (ears and visual (eyes reaction time was effective on balance. While badminton players are closed eyes, audio sensors are more influence on balance test through measure dominant foot.

  7. Phase dependence of transport-aperture coordination variability reveals control strategy of reach-to-grasp movements.

    Science.gov (United States)

    Rand, Miya K; Shimansky, Y P; Hossain, Abul B M I; Stelmach, George E

    2010-11-01

    Based on an assumption of movement control optimality in reach-to-grasp movements, we have recently developed a mathematical model of transport-aperture coordination (TAC), according to which the hand-target distance is a function of hand velocity and acceleration, aperture magnitude, and aperture velocity and acceleration (Rand et al. in Exp Brain Res 188:263-274, 2008). Reach-to-grasp movements were performed by young adults under four different reaching speeds and two different transport distances. The residual error magnitude of fitting the above model to data across different trials and subjects was minimal for the aperture-closure phase, but relatively much greater for the aperture-opening phase, indicating considerable difference in TAC variability between those phases. This study's goal is to identify the main reasons for that difference and obtain insights into the control strategy of reach-to-grasp movements. TAC variability within the aperture-opening phase of a single trial was found minimal, indicating that TAC variability between trials was not due to execution noise, but rather a result of inter-trial and inter-subject variability of motor plan. At the same time, the dependence of the extent of trial-to-trial variability of TAC in that phase on the speed of hand transport was sharply inconsistent with the concept of speed-accuracy trade-off: the lower the speed, the larger the variability. Conversely, the dependence of the extent of TAC variability in the aperture-closure phase on hand transport speed was consistent with that concept. Taking into account recent evidence that the cost of neural information processing is substantial for movement planning, the dependence of TAC variability in the aperture-opening phase on task performance conditions suggests that it is not the movement time that the CNS saves in that phase, but the cost of neuro-computational resources and metabolic energy required for TAC regulation in that phase. Thus, the CNS

  8. Fermionic reaction coordinates and their application to an autonomous Maxwell demon in the strong-coupling regime

    Science.gov (United States)

    Strasberg, Philipp; Schaller, Gernot; Schmidt, Thomas L.; Esposito, Massimiliano

    2018-05-01

    We establish a theoretical method which goes beyond the weak-coupling and Markovian approximations while remaining intuitive, using a quantum master equation in a larger Hilbert space. The method is applicable to all impurity Hamiltonians tunnel coupled to one (or multiple) baths of free fermions. The accuracy of the method is in principle not limited by the system-bath coupling strength, but rather by the shape of the spectral density and it is especially suited to study situations far away from the wide-band limit. In analogy to the bosonic case, we call it the fermionic reaction coordinate mapping. As an application, we consider a thermoelectric device made of two Coulomb-coupled quantum dots. We pay particular attention to the regime where this device operates as an autonomous Maxwell demon shoveling electrons against the voltage bias thanks to information. Contrary to previous studies, we do not rely on a Markovian weak-coupling description. Our numerical findings reveal that in the regime of strong coupling and non-Markovianity, the Maxwell demon is often doomed to disappear except in a narrow parameter regime of small power output.

  9. Intraindividual variability in reaction time before and after neoadjuvant chemotherapy in women diagnosed with breast cancer.

    Science.gov (United States)

    Yao, Christie; Rich, Jill B; Tirona, Kattleya; Bernstein, Lori J

    2017-12-01

    Women treated with chemotherapy for breast cancer experience subtle cognitive deficits. Research has focused on mean performance level, yet recent work suggests that within-person variability in reaction time performance may underlie cognitive symptoms. We examined intraindividual variability (IIV) in women diagnosed with breast cancer and treated with neoadjuvant chemotherapy. Patients (n = 28) were assessed at baseline before chemotherapy (T1), approximately 1 month after chemotherapy but prior to surgery (T2), and after surgery about 9 months post chemotherapy (T3). Healthy women of similar age and education (n = 20) were assessed at comparable time intervals. Using a standardized regression-based approach, we examined changes in mean performance level and IIV (eg, intraindividual standard deviation) on a Stroop task and self-report measures of cognitive function from T1 to T2 and T1 to T3. At T1, women with breast cancer were more variable than controls as task complexity increased. Change scores from T1 to T2 were similar between groups on all Stroop performance measures. From T1 to T3, controls improved more than women with breast cancer. IIV was more sensitive than mean reaction time in capturing group differences. Additional analyses showed increased cognitive symptoms reported by women with breast cancer from T1 to T3. Specifically, change in language symptoms was positively correlated with change in variability. Women with breast cancer declined in attention and inhibitory control relative to pretreatment performance. Future studies should include measures of variability, because they are an important sensitive indicator of change in cognitive function. Copyright © 2016 John Wiley & Sons, Ltd.

  10. Butterfly Sprint Swimming Technique, Analysis of Somatic and Spatial-Temporal Coordination Variables

    Directory of Open Access Journals (Sweden)

    Strzała Marek

    2017-12-01

    Full Text Available The aim of this study was to investigate somatic properties and force production of leg extensor muscles measured in the countermovement jump test (CMJ, as well as to analyse kinematic variables of sprint surface butterfly swimming. Thirty-four male competitive swimmers were recruited with an average age of 19.3 ± 1.83 years. Their average body height (BH was 183.7 ± 5.93 cm, body fat content 10.8 ± 2.64% and body mass (BM 78.3 ± 5.0 kg. Length measurements of particular body segments were taken and a counter movement jump (CMJ as well as an all-out 50 m butterfly speed test were completed. The underwater movements of the swimmers’ bodies were recorded with a digital camera providing side-shots. We registered a significant relationship between body mass (r = 0.46, lean body mass (r = 0.48 and sprint surface butterfly swimming (VSBF. The anaerobic power measured in the CMJ test, total body length (TBL as well as upper and lower extremity length indices did not influence swimming speed significantly. The temporal entry-kick index (the time ratio between the first kick and arm entry significantly influenced VSBF (r = -0.45. Similarly, medium power of the coefficient was indicated between a stroke rate kinematics (SR, b duration of the first leg kick (LP1, c air phase duration of arm recovery (Fly-arm, and VSBF (r = 0.40; r = 0.40 and r = 0.41, respectively. The entry-kick temporal index showed that, in the butterfly cycle, an appropriately early executed initial kick when compared to arm entry was associated with a longer arm propulsion phase, which in turn was associated with minimizing resistive gliding phases and enabled relatively longer and less resistive air arm recovery (higher value of the fly-arm index. The higher value of SR kinematic was another important element of the best butterfly results in this study.

  11. Intraindividual variability in reaction time predicts cognitive outcomes 5 years later.

    Science.gov (United States)

    Bielak, Allison A M; Hultsch, David F; Strauss, Esther; Macdonald, Stuart W S; Hunter, Michael A

    2010-11-01

    Building on results suggesting that intraindividual variability in reaction time (inconsistency) is highly sensitive to even subtle changes in cognitive ability, this study addressed the capacity of inconsistency to predict change in cognitive status (i.e., cognitive impairment, no dementia [CIND] classification) and attrition 5 years later. Two hundred twelve community-dwelling older adults, initially aged 64-92 years, remained in the study after 5 years. Inconsistency was calculated from baseline reaction time performance. Participants were assigned to groups on the basis of their fluctuations in CIND classification over time. Logistic and Cox regressions were used. Baseline inconsistency significantly distinguished among those who remained or transitioned into CIND over the 5 years and those who were consistently intact (e.g., stable intact vs. stable CIND, Wald (1) = 7.91, p < .01, Exp(β) = 1.49). Average level of inconsistency over time was also predictive of study attrition, for example, Wald (1) = 11.31, p < .01, Exp(β) = 1.24. For both outcomes, greater inconsistency was associated with a greater likelihood of being in a maladaptive group 5 years later. Variability based on moderately cognitively challenging tasks appeared to be particularly sensitive to longitudinal changes in cognitive ability. Mean rate of responding was a comparable predictor of change in most instances, but individuals were at greater relative risk of being in a maladaptive outcome group if they were more inconsistent rather than if they were slower in responding. Implications for the potential utility of intraindividual variability in reaction time as an early marker of cognitive decline are discussed. (c) 2010 APA, all rights reserved

  12. Leading coordinate analysis of reaction pathways in proton chain transfer: Application to a two-proton transfer model for the green fluorescent protein

    International Nuclear Information System (INIS)

    Wang Sufan; Smith, Sean C.

    2006-01-01

    The 'leading coordinate' approach to computing an approximate reaction pathway, with subsequent determination of the true minimum energy profile, is applied to a two-proton chain transfer model based on the chromophore and its surrounding moieties within the green fluorescent protein (GFP). Using an ab initio quantum chemical method, a number of different relaxed energy profiles are found for several plausible guesses at leading coordinates. The results obtained for different trial leading coordinates are rationalized through the calculation of a two-dimensional relaxed potential energy surface (PES) for the system. Analysis of the 2-D relaxed PES reveals that two of the trial pathways are entirely spurious, while two others contain useful information and can be used to furnish starting points for successful saddle-point searches. Implications for selection of trial leading coordinates in this class of proton chain transfer reactions are discussed, and a simple diagnostic function is proposed for revealing whether or not a relaxed pathway based on a trial leading coordinate is likely to furnish useful information

  13. THE EFFECT OF CORPORATE GOVERNANCE DISCLOSURE ON INVESTOR REACTIONS WITH PROFITABILITY AS MODERATING VARIABLE

    Directory of Open Access Journals (Sweden)

    Hariadi K.L.

    2017-08-01

    Full Text Available The aim of this research is to understand how Corporate Governance affects investor’s reaction in capital market by profitability as a moderating variable. This research uses secondary data obtained from Indonesian Stock Exchange. Investor’s reaction is measured by Cumulative Abnormal Return, which happened around the time of annual report publication. Corporate Governance are measured by Institutional ownership, ownership by board of commissioner, audite commite, and independent commissioner. Profitability as moderating variabel is measured by Return on Asset. This research was done to 25 companies which were listed in Indeks LQ 45 in Indonesian Stock Exchange during 2015-2016. Data analysis techniques used in this research are regresion analysis and moderated regresion analysis (MRA. The result shows that corporate governance (Institutional ownership, ownership by board of commissioner, audite commite, and independent commissioner negatively affect Cumulative Abnormal Return. Profitability as a moderating variable was able to explain the relationship of corporate governance (ownership by board of commissioner and audite commite affect significantly to Cumulative Abnormal Return partially. Corporate governance does not have any impact to Cumulative Abnormal Return value, because of the implementation of corporate governance in Indonesia is not provide optimum results mean while in the process of considering corporate governance practices take time to know the benefits.

  14. Enhanced bimolecular exchange reaction through programmed coordination of a five-coordinate oxovanadium complex for efficient redox mediation in dye-sensitized solar cells.

    Science.gov (United States)

    Oyaizu, Kenichi; Hayo, Noriko; Sasada, Yoshito; Kato, Fumiaki; Nishide, Hiroyuki

    2013-12-07

    Electrochemical reversibility and fast bimolecular exchange reaction found for VO(salen) gave rise to a highly efficient redox mediation to enhance the photocurrent of a dye-sensitized solar cell, leading to an excellent photovoltaic performance with a conversion efficiency of 5.4%. A heterogeneous electron-transfer rate constant at an electrode (k0) and a second-order rate constant for an electron self-exchange reaction (k(ex)) were proposed as key parameters that dominate the charge transport property, which afforded a novel design concept for the mediators based on their kinetic aspects.

  15. Intraindividual Stepping Reaction Time Variability Predicts Falls in Older Adults With Mild Cognitive Impairment.

    Science.gov (United States)

    Bunce, David; Haynes, Becky I; Lord, Stephen R; Gschwind, Yves J; Kochan, Nicole A; Reppermund, Simone; Brodaty, Henry; Sachdev, Perminder S; Delbaere, Kim

    2017-06-01

    Reaction time measures have considerable potential to aid neuropsychological assessment in a variety of health care settings. One such measure, the intraindividual reaction time variability (IIV), is of particular interest as it is thought to reflect neurobiological disturbance. IIV is associated with a variety of age-related neurological disorders, as well as gait impairment and future falls in older adults. However, although persons diagnosed with Mild Cognitive Impairment (MCI) are at high risk of falling, the association between IIV and prospective falls is unknown. We conducted a longitudinal cohort study in cognitively intact (n = 271) and MCI (n = 154) community-dwelling adults aged 70-90 years. IIV was assessed through a variety of measures including simple and choice hand reaction time and choice stepping reaction time tasks (CSRT), the latter administered as a single task and also with a secondary working memory task. Logistic regression did not show an association between IIV on the hand-held tasks and falls. Greater IIV in both CSRT tasks, however, did significantly increase the risk of future falls. This effect was specific to the MCI group, with a stronger effect in persons exhibiting gait, posture, or physiological impairment. The findings suggest that increased stepping IIV may indicate compromised neural circuitry involved in executive function, gait, and posture in persons with MCI increasing their risk of falling. IIV measures have potential to assess neurobiological disturbance underlying physical and cognitive dysfunction in old age, and aid fall risk assessment and routine care in community and health care settings. © The Author 2016. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  16. An optics-based variable-temperature assay system for characterizing thermodynamics of biomolecular reactions on solid support

    Energy Technology Data Exchange (ETDEWEB)

    Fei, Yiyan; Landry, James P.; Zhu, X. D., E-mail: xdzhu@physics.ucdavis.edu [Department of Physics, University of California, One Shields Avenue, Davis, California 95616 (United States); Li, Yanhong; Yu, Hai; Lau, Kam; Huang, Shengshu; Chokhawala, Harshal A.; Chen, Xi [Department of Chemistry, University of California, One Shields Avenue, Davis, California 95616 (United States)

    2013-11-15

    A biological state is equilibrium of multiple concurrent biomolecular reactions. The relative importance of these reactions depends on physiological temperature typically between 10 °C and 50 °C. Experimentally the temperature dependence of binding reaction constants reveals thermodynamics and thus details of these biomolecular processes. We developed a variable-temperature opto-fluidic system for real-time measurement of multiple (400–10 000) biomolecular binding reactions on solid supports from 10 °C to 60 °C within ±0.1 °C. We illustrate the performance of this system with investigation of binding reactions of plant lectins (carbohydrate-binding proteins) with 24 synthetic glycans (i.e., carbohydrates). We found that the lectin-glycan reactions in general can be enthalpy-driven, entropy-driven, or both, and water molecules play critical roles in the thermodynamics of these reactions.

  17. Thermal effects of variable material properties and metamorphic reactions in a three-component subducting slab

    DEFF Research Database (Denmark)

    Chemia, Zurab; Dolejš, David; Steinle-Neumann, Gerd

    2015-01-01

    We explore the effects of variable material properties, phase transformations, and metamorphic devolatilization reactions on the thermal structure of a subducting slab using thermodynamic phase equilibrium calculations combined with a thermal evolution model. The subducting slab is divided...... into three layers consisting of oceanic sediments, altered oceanic crust, and partially serpentinized or anhydrous harzburgite. Solid-fluid equilibria and material properties are computed for each layer individually to illustrate distinct thermal consequences when chemical and mechanical homogenization...... indicate that subducting sediments and oceanic crust warm by 40 and 70°C, respectively, before the effect of wedge convection and heating is encountered at 1.7 GPa. Retention of fluid in the slab pore space plays a negligible role in oceanic crust and serpentinized peridotites. By contrast, the large...

  18. Global control of reaction wheel pendulum through energy regulation and extended linearization of the state variables

    Directory of Open Access Journals (Sweden)

    Oscar D. Montoya-Giraldo

    2014-01-01

    Full Text Available This paper presents the design and simulation of a global controller for the Reaction Wheel Pendulum system using energy regulation and extended linearization methods for the state feedback. The proposed energy regulation is based on the gradual reduction of the energy of the system to reach the unstable equilibrium point. The signal input for this task is obtained from the Lyapunov stability theory. The extended state feedback controller design is used to get a smooth nonlinear function that extends the region of operation to a bigger range, in contrast with the static linear state feedback obtained through the method of approximate linearization around an operating point. The general designed controller operates with a switching between the two control signals depending upon the region of operation; perturbations are applied in the control signal and the (simulated measured variables to verify the robustness and efficiency of the controller. Finally, simulations and tests using the model of the reaction wheel pendulum system, allow to observe the versatility and functionality of the proposed controller in the entire operation region of the pendulum.

  19. Intraindividual Variability in Basic Reaction Time Predicts Middle-Aged and Older Pilots’ Flight Simulator Performance

    Science.gov (United States)

    2013-01-01

    Objectives. Intraindividual variability (IIV) is negatively associated with cognitive test performance and is positively associated with age and some neurological disorders. We aimed to extend these findings to a real-world task, flight simulator performance. We hypothesized that IIV predicts poorer initial flight performance and increased rate of decline in performance among middle-aged and older pilots. Method. Two-hundred and thirty-six pilots (40–69 years) completed annual assessments comprising a cognitive battery and two 75-min simulated flights in a flight simulator. Basic and complex IIV composite variables were created from measures of basic reaction time and shifting and divided attention tasks. Flight simulator performance was characterized by an overall summary score and scores on communication, emergencies, approach, and traffic avoidance components. Results. Although basic IIV did not predict rate of decline in flight performance, it had a negative association with initial performance for most flight measures. After taking into account processing speed, basic IIV explained an additional 8%–12% of the negative age effect on initial flight performance. Discussion. IIV plays an important role in real-world tasks and is another aspect of cognition that underlies age-related differences in cognitive performance. PMID:23052365

  20. Intraindividual variability in basic reaction time predicts middle-aged and older pilots' flight simulator performance.

    Science.gov (United States)

    Kennedy, Quinn; Taylor, Joy; Heraldez, Daniel; Noda, Art; Lazzeroni, Laura C; Yesavage, Jerome

    2013-07-01

    Intraindividual variability (IIV) is negatively associated with cognitive test performance and is positively associated with age and some neurological disorders. We aimed to extend these findings to a real-world task, flight simulator performance. We hypothesized that IIV predicts poorer initial flight performance and increased rate of decline in performance among middle-aged and older pilots. Two-hundred and thirty-six pilots (40-69 years) completed annual assessments comprising a cognitive battery and two 75-min simulated flights in a flight simulator. Basic and complex IIV composite variables were created from measures of basic reaction time and shifting and divided attention tasks. Flight simulator performance was characterized by an overall summary score and scores on communication, emergencies, approach, and traffic avoidance components. Although basic IIV did not predict rate of decline in flight performance, it had a negative association with initial performance for most flight measures. After taking into account processing speed, basic IIV explained an additional 8%-12% of the negative age effect on initial flight performance. IIV plays an important role in real-world tasks and is another aspect of cognition that underlies age-related differences in cognitive performance.

  1. Decreased reaction time variability is associated with greater cardiovascular responses to acute stress.

    Science.gov (United States)

    Wawrzyniak, Andrew J; Hamer, Mark; Steptoe, Andrew; Endrighi, Romano

    2016-05-01

    Cardiovascular (CV) responses to mental stress are prospectively associated with poor CV outcomes. The association between CV responses to mental stress and reaction times (RTs) in aging individuals may be important but warrants further investigation. The present study assessed RTs to examine associations with CV responses to mental stress in healthy, older individuals using robust regression techniques. Participants were 262 men and women (mean age = 63.3 ± 5.5 years) from the Whitehall II cohort who completed a RT task (Stroop) and underwent acute mental stress (mirror tracing) to elicit CV responses. Blood pressure, heart rate, and heart rate variability were measured at baseline, during acute stress, and through a 75-min recovery. RT measures were generated from an ex-Gaussian distribution that yielded three predictors: mu-RT, sigma-RT, and tau-RT, the mean, standard deviation, and mean of the exponential component of the normal distribution, respectively. Decreased intraindividual RT variability was marginally associated with greater systolic (B = -.009, SE = .005, p = .09) and diastolic (B = -.004, SE = .002, p = .08) blood pressure reactivity. Decreased intraindividual RT variability was associated with impaired systolic blood pressure recovery (B = -.007, SE = .003, p = .03) and impaired vagal tone (B = -.0047, SE = .0024, p = .045). Study findings offer tentative support for an association between RTs and CV responses. Despite small effect sizes and associations not consistent across predictors, these data may point to a link between intrinsic neuronal plasticity and CV responses. © 2016 The Authors. Psychophysiology published by Wiley Periodicals, Inc. on behalf of Society for Psychophysiological Research.

  2. 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

    International Nuclear Information System (INIS)

    Zhao, Bin; Guo, Hua; Sun, Zhigang

    2015-01-01

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → 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 + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O 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

  3. 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.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-06-28

    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.

  4. Evaluation of maillard reaction variables and their effect on heterocyclic amine formation in chemical model systems.

    Science.gov (United States)

    Dennis, Cara; Karim, Faris; Smith, J Scott

    2015-02-01

    Heterocyclic amines (HCAs), highly mutagenic and potentially carcinogenic by-products, form during Maillard browning reactions, specifically in muscle-rich foods. Chemical model systems allow examination of in vitro formation of HCAs while eliminating complex matrices of meat. Limited research has evaluated the effects of Maillard reaction parameters on HCA formation. Therefore, 4 essential Maillard variables (precursors molar concentrations, water amount, sugar type, and sugar amounts) were evaluated to optimize a model system for the study of 4 HCAs: 2-amino-3-methylimidazo-[4,5-f]quinoline, 2-amino-3-methylimidazo[4,5-f]quinoxaline, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline, and 2-amino-3,4,8-trimethyl-imidazo[4,5-f]quinoxaline. Model systems were dissolved in diethylene glycol, heated at 175 °C for 40 min, and separated using reversed-phase liquid chromatography. To define the model system, precursor amounts (threonine and creatinine) were adjusted in molar increments (0.2/0.2, 0.4/0.4, 0.6/0.6, and 0.8/0.8 mmol) and water amounts by percentage (0%, 5%, 10%, and 15%). Sugars (lactose, glucose, galactose, and fructose) were evaluated in several molar amounts proportional to threonine and creatinine (quarter, half, equi, and double). The precursor levels and amounts of sugar were significantly different (P < 0.05) in regards to total HCA formation, with 0.6/0.6/1.2 mmol producing higher levels. Water concentration and sugar type also had a significant effect (P < 0.05), with 5% water and lactose producing higher total HCA amounts. A model system containing threonine (0.6 mmol), creatinine (0.6 mmol), and glucose (1.2 mmol), with 15% water was determined to be the optimal model system with glucose and 15% water being a better representation of meat systems. © 2015 Institute of Food Technologists®

  5. Intraspecific variability and reaction norms of forest understory plant species traits

    Science.gov (United States)

    Burton, Julia I.; Perakis, Steven; McKenzie, Sean C.; Lawrence, Caitlin E.; Puettmann, Klaus J.

    2017-01-01

    Trait-based models of ecological communities typically assume intraspecific variation in functional traits is not important, though such variation can change species trait rankings along gradients in resources and environmental conditions, and thus influence community structure and function.We examined the degree of intraspecific relative to interspecific variation, and reaction norms of 11 functional traits for 57 forest understory plant species, including: intrinsic water-use efficiency (iWUE), Δ15N, 5 leaf traits, 2 stem traits and 2 root traits along gradients in light, nitrogen, moisture and understory cover.Our results indicate that interspecific trait variation exceeded intraspecific variation by at least 50% for most, but not all traits. Intraspecific variation in Δ15N, iWUE, leaf nitrogen content and root traits was high (47-70%) compared with most leaf traits and stem traits (13-38%).Δ15N varied primarily along gradients in abiotic conditions, while light and understory cover were relatively less important. iWUE was related primarily to light transmission, reflecting increases in photosynthesis relative to stomatal conductance. Leaf traits varied mainly as a function of light availability, with some reaction norms depending on understory cover. Plant height increased with understory cover, while stem specific density was related primarily to light. Resources, environmental conditions and understory cover did not contribute strongly to the observed variation in root traits.Gradients in resources, environmental conditions and competition all appear to control intraspecific variability in most traits to some extent. However, our results suggest that species cross-over (i.e., trait rank reversals) along the gradients measured here are generally not a concern.Intraspecific variability in understory plant species traits can be considerable. However, trait data collected under a narrow range of environmental conditions appears sufficient to establish species

  6. Sonochemical synthesis, characterization, and effects of temperature, power ultrasound and reaction time on the morphological properties of two new nanostructured mercury(II) coordination supramolecule compounds.

    Science.gov (United States)

    Hayati, Payam; Rezvani, Ali Reza; Morsali, Ali; Molina, Daniel Ruiz; Geravand, Samira; Suarez-Garcia, Salvio; Villaecija, Miguel Angel Moreno; García-Granda, S; Mendoza-Meroño, Rafael; Retailleau, Pascal

    2017-07-01

    Two new mercury(II) coordination supramolecular compounds (CSCs) (1D and 0D), [Hg(L)(I) 2 ] n (1) and [Hg 2 (L') 2 (SCN) 2 ]·2H 2 O (2) (L=2-amino-4-methylpyridine and L'=2,6-pyridinedicarboxlic acid), have been synthesized under different experimental conditions. Micrometric crystals (bulk) or nano-sized materials have been obtained depending on using the branch tube method or sonochemical irradiation. All materials have been characterized by field emission scanning electron microscope (FESEM), scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Single crystal X-ray analyses on compounds 1 and 2 show that Hg 2+ ions are 4-coordinated and 5-coordinated, respectively. Topological analysis shows that the compound 1 and 2 have 2C1, sql net. The thermal stability of compounds 1 and 2 in bulk and nano-size has been studied by thermal gravimetric (TG), differential thermal analyses (DTA) for 1 and differential scanning calorimetry (DSC) for 2, respectively. Also, by changing counter ions were obtained various structures 1 and 2 (1D and 0D, respectively). The role of different parameters like power of ultrasound irradiation, reaction time and temperature on the growth and morphology of the nano-structures are studied. Results suggest that increasing power ultrasound irradiation and temperature together with reducing reaction time and concentration of initial reagents leads to a decrease in particle size. Copyright © 2017 Elsevier B.V. All rights reserved.

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

    KAUST Repository

    Zheng, Yao

    2017-02-21

    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.

  8. Synthesis and characterization of a novel double cross-linked hydrogel based on Diels-Alder click reaction and coordination bonding.

    Science.gov (United States)

    Li, Shubin; Wang, Lu; Yu, Xuemei; Wang, Chengli; Wang, Zhenyu

    2018-01-01

    Hydrogels, promising biological materials, need to have both strong mechanical properties and also inherent self-healing properties. In this work a double cross-linked network (DN) hydrogel was designed and prepared by combining a Diels-Alder click reaction and coordination effects. This DN hydrogel had good thermodynamic properties, anti-EDTA performance and self-healing properties. In addition, the mechanical properties, swelling properties and surface morphology of DN hydrogels can be controlled by adjusting the ratio of Fe 3+ -catechol. The adjustment of pH value can change the color, crosslinking mode and mechanical properties of the DN hydrogel. This smart hydrogel created from DA click chemistry and coordination effects has significance for guiding the design of new hydrogels with good mechanical properties, self-healing properties and controlled cross-link density. Copyright © 2017. Published by Elsevier B.V.

  9. Informal social reactions to college women's disclosure of intimate partner violence: associations with psychological and relational variables.

    Science.gov (United States)

    Edwards, Katie M; Dardis, Christina M; Sylaska, Kateryna M; Gidycz, Christine A

    2015-01-01

    This researchers assessed informal (e.g., friends, family) social reactions to college women's (N = 139) disclosure of intimate partner violence (IPV) within their current romantic relationships and associated psychological (i.e., posttraumatic stress symptoms [PTSS] and global psychological distress symptoms) and relational (i.e., intentions to leave the abusive relationship) variables. Women completed confidential surveys, which assessed current partner abuse, psychological and relational variables, and three types of social reactions from informal supports to disclosure of IPV: positive (e.g., believing, validating the victim), negative (e.g., disbelieving, blaming the victim), and leaving (i.e., being told to end the relationship) reactions. At the bivariate level, negative social reactions to women's disclosure were related to increases in global psychological distress, PTSS, and leaving intentions; positive social reactions to disclosure related only to increases in PTSS; and being told to leave the relationship related to increases in PTSS and leaving intentions. In the regression analyses, after controlling for abuse severity, negative social reactions were significantly related to global psychological distress and PTSS, and being told to leave significantly related to leaving intentions and PTSS. Mechanisms for these relationships and implications are discussed. © The Author(s) 2014.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin-Hua; Zhang, E. [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Tang, Gui-Mei, E-mail: meiguit@163.com [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Wang, Yong-Tao, E-mail: ceswyt@qlu.edu.cn [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Cui, Yue-Zhi [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Ng, Seik Weng [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2016-09-15

    Three new metal coordination complexes, namely, [Co(BPO){sub 2}(H{sub 2}O){sub 4}](BS){sub 2}(H{sub 2}O){sub 2} (1), [Co(BPO){sub 2}(H{sub 2}O){sub 4}](ABS){sub 2}(H{sub 2}O){sub 2} (2), [Co(BPO){sub 2}(H{sub 2}O){sub 4}](MBS){sub 2}(H{sub 2}O){sub 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. - Graphical abstract: Three new metal coordination complexes with bipyridinyl-oxadiazole were obtained under hydrothermal conditions, which display a zero-dimensional motif, and show high efficiency for the green synthesis of a variety of 3,4-dihydropyrimidin-2(1H)-ones 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. Display Omitted.

  11. Summary Report of the First Research Coordination Meeting on Nuclear Data for Charged-Particle Monitor Reactions and Medical Isotope Production

    International Nuclear Information System (INIS)

    Nichols, Alan L.; Noy, Roberto Capote

    2013-02-01

    A summary is given of the first IAEA research coordination meeting on ''Nuclear Data for Charged-particle Monitor Reactions and Medical Isotope Production'. Participants reassessed and reviewed the requirements for both cross-section and decay data, based on the earlier findings of three IAEA consultants' meetings (High-precision beta-intensity measurements and evaluations for specific PET radioisotopes, INDC(NDS)-0535, December 2008; Improvements in charged-particle monitor reactions and nuclear data for medical isotope production, INDC(NDS)-0591, September 2011; Intermediate-term nuclear data needs for medical applications: cross sections and decay data, INDC(NDS)-0596, September 2011). While significant emphasis was placed on the needs defined in IAEA report INDC(NDS)-0591, a limited number of relevant items and issues were also considered from the other two technical meetings. Recommendations focused on cross-section studies for a reasonably wide range of targets and projectiles, along with decay data measurements and evaluations for specific radionuclides. Individual presentations and discussions are described in this report, along with listings of the agreed work packages to be undertaken by the participants of the coordinated research project. (author)

  12. Both Reaction Time and Accuracy Measures of Intraindividual Variability Predict Cognitive Performance in Alzheimer's Disease

    Directory of Open Access Journals (Sweden)

    Björn U. Christ

    2018-04-01

    Full Text Available Dementia researchers around the world prioritize the urgent need for sensitive measurement tools that can detect cognitive and functional change at the earliest stages of Alzheimer's disease (AD. Sensitive indicators of underlying neural pathology assist in the early detection of cognitive change and are thus important for the evaluation of early-intervention clinical trials. One method that may be particularly well-suited to help achieve this goal involves the quantification of intraindividual variability (IIV in cognitive performance. The current study aimed to directly compare two methods of estimating IIV (fluctuations in accuracy-based scores vs. those in latency-based scores to predict cognitive performance in AD. Specifically, we directly compared the relative sensitivity of reaction time (RT—and accuracy-based estimates of IIV to cognitive compromise. The novelty of the present study, however, centered on the patients we tested [a group of patients with Alzheimer's disease (AD] and the outcome measures we used (a measure of general cognitive function and a measure of episodic memory function. Hence, we compared intraindividual standard deviations (iSDs from two RT tasks and three accuracy-based memory tasks in patients with possible or probable Alzheimer's dementia (n = 23 and matched healthy controls (n = 25. The main analyses modeled the relative contributions of RT vs. accuracy-based measures of IIV toward the prediction of performance on measures of (a overall cognitive functioning, and (b episodic memory functioning. Results indicated that RT-based IIV measures are superior predictors of neurocognitive impairment (as indexed by overall cognitive and memory performance than accuracy-based IIV measures, even after adjusting for the timescale of measurement. However, one accuracy-based IIV measure (derived from a recognition memory test also differentiated patients with AD from controls, and significantly predicted episodic memory

  13. Effect of fatigue and gender on kinematics and ground reaction forces variables in recreational runners.

    Science.gov (United States)

    Bazuelo-Ruiz, Bruno; Durá-Gil, Juan V; Palomares, Nicolás; Medina, Enrique; Llana-Belloch, Salvador

    2018-01-01

    The presence of fatigue has been shown to modify running biomechanics. Overall in terms of gender, women are at lower risk than men for sustaining running-related injuries, although it depends on the factors taken into account. One possible reason for these differences in the injury rate and location might be the dissimilar running patterns between men and women. The purpose of this study was to determine the effect of fatigue and gender on the kinematic and ground reaction forces (GRF) parameters in recreational runners. Fifty-seven participants (28 males and 29 females) had kinematic and GRF variables measured while running at speed of 3.3 m s -1 before and after a fatigue test protocol. The fatigue protocol included (1) a running Course-Navette test, (2) running up and down a flight of stairs for 5 min, and (3) performance of alternating jumps on a step (five sets of 1 minute each with 30 resting seconds between the sets). Fatigue decreased dorsiflexion (14.24 ± 4.98° in pre-fatigue and 12.65 ± 6.21° in fatigue condition, p  < 0.05) at foot strike phase in females, and plantar flexion (-19.23 ± 4.12° in pre-fatigue and -18.26 ± 5.31° in fatigue condition, p  < 0.05) at toe-off phase in males. These changes led to a decreased loading rate (88.14 ± 25.82 BW/s in pre-fatigue and 83.97 ± 18.83 BW/s in fatigue condition, p  < 0.05) and the impact peak in females (1.95 ± 0.31 BW in pre-fatigue and 1.90 ± 0.31 BW in fatigue condition, p  < 0.05), and higher peak propulsive forces in males (-0.26 ± 0.04 BW in pre-fatigue and -0.27 ± 0.05 BW in fatigue condition, p  < 0.05) in the fatigue condition. It seems that better responses to impact under a fatigue condition are observed among women. Further studies should confirm whether these changes represent a strategy to optimize shock attenuation, prevent running injuries and improve running economy.

  14. Effect of fatigue and gender on kinematics and ground reaction forces variables in recreational runners

    Directory of Open Access Journals (Sweden)

    Bruno Bazuelo-Ruiz

    2018-03-01

    Full Text Available The presence of fatigue has been shown to modify running biomechanics. Overall in terms of gender, women are at lower risk than men for sustaining running-related injuries, although it depends on the factors taken into account. One possible reason for these differences in the injury rate and location might be the dissimilar running patterns between men and women. The purpose of this study was to determine the effect of fatigue and gender on the kinematic and ground reaction forces (GRF parameters in recreational runners. Fifty-seven participants (28 males and 29 females had kinematic and GRF variables measured while running at speed of 3.3 m s−1 before and after a fatigue test protocol. The fatigue protocol included (1 a running Course-Navette test, (2 running up and down a flight of stairs for 5 min, and (3 performance of alternating jumps on a step (five sets of 1 minute each with 30 resting seconds between the sets. Fatigue decreased dorsiflexion (14.24 ± 4.98° in pre-fatigue and 12.65 ± 6.21° in fatigue condition, p < 0.05 at foot strike phase in females, and plantar flexion (−19.23 ± 4.12° in pre-fatigue and −18.26 ± 5.31° in fatigue condition, p < 0.05 at toe-off phase in males. These changes led to a decreased loading rate (88.14 ± 25.82 BW/s in pre-fatigue and 83.97 ± 18.83 BW/s in fatigue condition, p < 0.05 and the impact peak in females (1.95 ± 0.31 BW in pre-fatigue and 1.90 ± 0.31 BW in fatigue condition, p < 0.05, and higher peak propulsive forces in males (−0.26 ± 0.04 BW in pre-fatigue and −0.27 ± 0.05 BW in fatigue condition, p < 0.05 in the fatigue condition. It seems that better responses to impact under a fatigue condition are observed among women. Further studies should confirm whether these changes represent a strategy to optimize shock attenuation, prevent running injuries and improve running economy.

  15. Reaction

    African Journals Online (AJOL)

    abp

    19 oct. 2017 ... Reaction to Mohamed Said Nakhli et al. concerning the article: "When the axillary block remains the only alternative in a 5 year old child". .... Bertini L1, Savoia G, De Nicola A, Ivani G, Gravino E, Albani A et al ... 2010;7(2):101-.

  16. Future coordinated researches by Argonne (USA), Tashkent (Uzbekistan) and Almaty (Kazakhstan) nuclear centres on the nuclear reactions and astrophysics

    International Nuclear Information System (INIS)

    Artemov, S.V.; Yarmukhamedov, R.; Yuldashev, B.S.; Burtebaev, N.; Kadyrzhanov, K.K.; Rehm, K.E.

    2004-01-01

    An actual problem of modern nuclear physics and astrophysics is realistic evaluation of astrophysical S-factors and rates of the nuclear reactions, which are responsible for the energy generation and nucleosynthesis in Universe. The essential progress in understanding of these processes has been made in the last decade. Those are the discovery of neutrino oscillations, obtaining new precise data on the reactions cross sections at rather low energies, development of methods of extrapolation to the stellar energy region. Nevertheless, the available experimental data close to stellar energies are very poor especially for unstable particles interactions, and uncertainties remain rather remarkable. It leads to large errors when measured data are extrapolated to astrophysical important super low energy region. The experimental possibilities for improvement the accuracy of the data using 'indirect' measurements are discussed. One of them is based on the peripheral character of charged particles interaction at low energy in which the asymptotical normalization coefficients (ANC) of overlapping functions are used for extrapolation. In this case the differential cross-section of the particle transfer reaction is expressed via the product of ANCs squares of participating particles. Their values may be obtained from the peripheral reactions at larger energies where the accuracy of measurement is higher. From this point of view the particle transfer A(x,y)B reactions are the most preferable, where (x,y) are ( 13 N, 12 C) or ( 17 F, 16 O) (proton transfer) and ( 13 C, 12 C) or ( 17 O, 16 O) (neutron transfer). We should know firstly the ANCs for 13 C→ 12 C+n ( 17 O→ 16 O+n) and 13 N→ 12 C+p ( 17 F→ 16 O+p) systems, and all other ANCs B→ A+p(n) are expressed through these values. The nucleon separation energies ε N are relatively small for these nuclei (ε 13N → 12C+p =1.943 MeV; ε 17F → 16O+p =0.6003 MeV; ε 13C → 12C+n =4.946 MeV and ε 17O → 16O+n =4.143 Me

  17. A study of the tyramine/glucose Maillard reaction: Variables, characterization, cytotoxicity and preliminary application.

    Science.gov (United States)

    Jiang, Wei; Chen, Yaxin; He, Xiaoxia; Hu, Shiwei; Li, Shijie; Liu, Yu

    2018-01-15

    The tyramine/glucose Maillard reaction was proposed as an emerging tool for tyramine reduction in a model system and two commercial soy sauce samples. The model system was composed of tyramine and glucose in buffer solutions with or without NaCl. The results showed that tyramine was reduced in the model system, and the reduction rate was affected by temperature, heating time, initial pH value, NaCl concentration, initial glucose concentration and initial tyramine concentration. Changes in fluorescence intensity and ultraviolet-visible (UV-vis) absorption spectra showed three stages of the Maillard reaction between tyramine and glucose. Cytotoxicity assay demonstrated that tyramine/glucose Maillard reaction products (MRPs) were significantly less toxic than that of tyramine (pMaillard reaction is a promising method for tyramine reduction in foods. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2012-01-01

    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. PMID:23149740

  19. Coordination of early cellular reactions during activation of bone resorption in the rat mandible periosteum: An immunohistochemical study

    Directory of Open Access Journals (Sweden)

    Bassam Hassan

    2017-10-01

    Full Text Available The activation step of bone remodeling remains poorly characterized. Activation comprises determination of the site to be remodeled, osteoclast precursor recruitment, their migration to the site of remodeling, and differentiation. These actions involve different compartments and cell types. The aim of this study was to investigate events and cell types involved during activation. We used a bone remodeling model in rats where extractions of the upper jaw molars initiate remodeling of the antagonist lower jaw (mandible cortex along the periosteum. In this model osteoclastic resorption peaks 4 days after extractions. We previously reported that mast cell activation in the periosteum fibrous compartment is an early event of activation, associated with recruitment of circulating monocyte osteoclast precursors. By using immunohistochemistry, we observed 9 hours after induction a spatially oriented expression of InterCellular Adhesion Molecule-1 in the vessels that was inhibited by antagonists of histamine receptors 1 and 2. It was followed at 12 hours by the recruitment of ED1+ monocytes. In parallel, at 9 hours, Vascular Cellular Adhesion Molecule-1+ fibroblast-like cells scattered in the fibrous compartment of the periosteum between the vessels and the osteogenic compartment increased; these cells may be implicated in osteoclast precursor migration. Receptor Activator of NF KappaB Ligand+ cells increased at 12 hours in the osteogenic compartment and reached a peak at 18 hours. At 24 hours the numbers of osteogenic cells and subjacent osteocytes expressing semaphorin 3a, a repulsive for osteoclast precursors, decreased before returning to baseline at 48 hours. These data show that during activation the two periosteum compartments and several cell types are coordinated to recruit and guide osteoclast precursors towards the bone surface. Keywords: Biological sciences, Cell biology, Physiology, Dentistry

  20. Neutron-Induced Fission Cross Section of Uranium, Americium and Curium Isotopes. Progress report - Research Contract 14485, Coordinated Research Project on Minor Actinide Neutron Reaction Data (MANREAD)

    International Nuclear Information System (INIS)

    Alekseev, A.A.; Bergman, A.A.; Berlev, A.I.; Koptelov, E.A.; Samylin, B.F.; Trufanov, A.M.; Fursov, B.I.; Shorin, V.S.

    2009-12-01

    This report contains brief description of the Lead Slowing Down Spectrometer and results of measurements of neutron-induced fission cross sections for 236 U, 242m Am, 243 Cm, 244 Cm, 245 Cm and 246 Cm done at this spectrometer. The work was partially supported through the IAEA research contract RC-14485-RD in the framework of the IAEA Coordinated Research Project 'Minor Actinide Neutron Reaction Data (MANREAD)'. The detailed description of the experimental set up, measurements procedure and data treatment can be found in the JIA-1182 (2007) and JIA-1212 (2009) reports from the Institute of Nuclear Research of the Russian Academy of Science published in Russian. Part 1 contains the first year report of the research contract and part 2 the second year report. (author)

  1. Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory.

    Science.gov (United States)

    Pelmenschikov, Vladimir; Birrell, James A; Pham, Cindy C; Mishra, Nakul; Wang, Hongxin; Sommer, Constanze; Reijerse, Edward; Richers, Casseday P; Tamasaku, Kenji; Yoda, Yoshitaka; Rauchfuss, Thomas B; Lubitz, Wolfgang; Cramer, Stephen P

    2017-11-22

    [FeFe]-hydrogenases are metalloenzymes that reversibly reduce protons to molecular hydrogen at exceptionally high rates. We have characterized the catalytically competent hydride state (H hyd ) in the [FeFe]-hydrogenases from both Chlamydomonas reinhardtii and Desulfovibrio desulfuricans using 57 Fe nuclear resonance vibrational spectroscopy (NRVS) and density functional theory (DFT). H/D exchange identified two Fe-H bending modes originating from the binuclear iron cofactor. DFT calculations show that these spectral features result from an iron-bound terminal hydride, and the Fe-H vibrational frequencies being highly dependent on interactions between the amine base of the catalytic cofactor with both hydride and the conserved cysteine terminating the proton transfer chain to the active site. The results indicate that H hyd is the catalytic state one step prior to H 2 formation. The observed vibrational spectrum, therefore, provides mechanistic insight into the reaction coordinate for H 2 bond formation by [FeFe]-hydrogenases.

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

    Science.gov (United States)

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

    2016-04-28

    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.

  3. Variable elimination in chemical reaction networks with mass-action kinetics

    DEFF Research Database (Denmark)

    Feliu, Elisenda; Wiuf, C.

    2012-01-01

    We consider chemical reaction networks taken with mass-action kinetics. The steady states of such a system are solutions to a system of polynomial equations. Even for small systems the task of finding the solutions is daunting. We develop an algebraic framework and procedure for linear elimination...

  4. Variable elimination in post-translational modification reaction networks with mass-action kinetics

    DEFF Research Database (Denmark)

    Feliu, Elisenda; Wiuf, Carsten

    2013-01-01

    We define a subclass of chemical reaction networks called post-translational modification systems. Important biological examples of such systems include MAPK cascades and two-component systems which are well-studied experimentally as well as theoretically. The steady states of such a system...

  5. 29 August 2013 - Director Variable Energy Cyclotron Centre, India D. Srivastava signing the guest book with CERN Director-General R. Heuer. Coordinator of India-ALICE Collaboration T. Nayak present throughout.

    CERN Multimedia

    Jean-Claude Gadmer

    2013-01-01

    29 August 2013 - Director Variable Energy Cyclotron Centre, India D. Srivastava signing the guest book with CERN Director-General R. Heuer. Coordinator of India-ALICE Collaboration T. Nayak present throughout.

  6. Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies

    Energy Technology Data Exchange (ETDEWEB)

    Beheshti, Azizolla, E-mail: a.beheshti@scu.ac.ir [Department of Chemistry, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak [Department of Chemistry, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Motamedi, Hossein [Department of Biology, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz (Iran, Islamic Republic of); Mayer, Peter [LMU München Department Chemie, Butenandtstr 5-13, D-81377 München (Germany); Bruno, Giuseppe [Dipartimento di Chimica Inorganica, Università di Messina, Vill. S. Agata, Salita Sperone 31, 98166 Messina (Italy); Rudbari, Hadi Amiri [Faculty of Chemistry, University of Isfahan, Isfahan 81746-73441 (Iran, Islamic Republic of)

    2017-05-15

    Two new compounds namely [Cu(SCN)(µ-L)]{sub n} (1) and ([Ag (µ{sub 2}-L)](ClO{sub 4})){sub n} (2) have been synthesized at room temperature by one-pot reactions between the 1,1-(1,4-butanediyl)bis(1,3-dihydro-3-methyl-1H-imidazole- 2-thione) (L) and appropriate copper(I) and silver(I) salts. These polymers have been characterized by single crystal X-ray diffraction, XRPD, TGA, elemental analysis, infrared spectroscopy, antibacterial activity and scanning probe microscopy studies. In the crystal structure of 1, copper atoms have a distorted trigonal planar geometry with a CuS{sub 2}N coordination environment. Each of the ligands in the structure of 1 acting as a bidentate S-bridging ligand to form a 1D chain structure. Additionally, the adjacent 1D chains are interconnected by the intermolecular C-H…S interactions to create a 2D network structure. In contrast to 1, in the cationic 3D structure of 2 each of the silver atoms exhibits an AgS{sub 4} tetrahedral geometry with 4-membered Ag{sub 2}S{sub 2} rings. In the structure of 2, the flexible ligand adopts two different conformations; gauche-anti-gauche and anti-anti-anti. The antibacterial studies of these polymers showed that polymer 2 is more potent antibacterial agent than 1. Scanning probe microscopy (SPM) study of the treated bacteria was carried out to investigate the structural changes cause by the interactions between the polymers and target bacteria. Theoretical study of polymer 1 investigated by the DFT calculations indicates that observed transitions at 266 nm and 302 nm in the UV–vis spectrum could be attributed to the π→π* and MLCT transitions, respectively. - Graphical abstract: Two new Cu(I) and Ag(I) coordination polymers have been have been synthesized by one-pot reactions. Copper complex has a 2D non-covalent structure, but silver compound is a 3D coordination compound. These compounds have effective antibacterial activity. - Highlights: • Cu(I) and Ag(I) based coordination polymers

  7. Fusion reaction yield in focused discharges with variable energy and plasma fine structure

    International Nuclear Information System (INIS)

    Bortolotti, A.; Brzosko, J.S.; Chiara, P. De; Kilic, H.; Mezzetti, F.; Nardi, V.; Powell, C.; Wang, J.

    1992-01-01

    The same linear correlation between the distribution parameters (ΔT and Max ΔV) of the radial current density J between electrodes and the fusion reaction yield per pulse, Y, in the plasma focus (PF) pinch was quantitatively determined from different PF machines. Contact prints of current-sheath fragments (CSF) ejected from the pinch are obtained from 2.5-MeV-D + ions. CSF's show the same submillimetric fine structure of the pinch. (author) 3 refs., 2 tabs

  8. Statistical Metadata Analysis of the Variability of Latency, Device Transfer Time, and Coordinate Position from Smartphone-Recorded Infrasound Data

    Science.gov (United States)

    Garces, E. L.; Garces, M. A.; Christe, A.

    2017-12-01

    The RedVox infrasound recorder app uses microphones and barometers in smartphones to record infrasound, low-frequency sound below the threshold of human hearing. We study a device's metadata, which includes position, latency time, the differences between the device's internal times and the server times, and the machine time, searching for patterns and possible errors or discontinuities in these scaled parameters. We highlight metadata variability through scaled multivariate displays (histograms, distribution curves, scatter plots), all created and organized through software development in Python. This project is helpful in ascertaining variability and honing the accuracy of smartphones, aiding the emergence of portable devices as viable geophysical data collection instruments. It can also improve the app and cloud service by increasing efficiency and accuracy, allowing to better document and foresee drastic natural movements like tsunamis, earthquakes, volcanic eruptions, storms, rocket launches, and meteor impacts; recorded data can later be used for studies and analysis by a variety of professions. We expect our final results to produce insight on how to counteract problematic issues in data mining and improve accuracy in smartphone data-collection. By eliminating lurking variables and minimizing the effect of confounding variables, we hope to discover efficient processes to reduce superfluous precision, unnecessary errors, and data artifacts. These methods should conceivably be transferable to other areas of software development, data analytics, and statistics-based experiments, contributing a precedent of smartphone metadata studies from geophysical rather than societal data. The results should facilitate the rise of civilian-accessible, hand-held, data-gathering mobile sensor networks and yield more straightforward data mining techniques.

  9. Step-to-step spatiotemporal variables and ground reaction forces of intra-individual fastest sprinting in a single session.

    Science.gov (United States)

    Nagahara, Ryu; Mizutani, Mirai; Matsuo, Akifumi; Kanehisa, Hiroaki; Fukunaga, Tetsuo

    2018-06-01

    We aimed to investigate the step-to-step spatiotemporal variables and ground reaction forces during the acceleration phase for characterising intra-individual fastest sprinting within a single session. Step-to-step spatiotemporal variables and ground reaction forces produced by 15 male athletes were measured over a 50-m distance during repeated (three to five) 60-m sprints using a long force platform system. Differences in measured variables between the fastest and slowest trials were examined at each step until the 22nd step using a magnitude-based inferences approach. There were possibly-most likely higher running speed and step frequency (2nd to 22nd steps) and shorter support time (all steps) in the fastest trial than in the slowest trial. Moreover, for the fastest trial there were likely-very likely greater mean propulsive force during the initial four steps and possibly-very likely larger mean net anterior-posterior force until the 17th step. The current results demonstrate that better sprinting performance within a single session is probably achieved by 1) a high step frequency (except the initial step) with short support time at all steps, 2) exerting a greater mean propulsive force during initial acceleration, and 3) producing a greater mean net anterior-posterior force during initial and middle acceleration.

  10. Methods for Confirming the Gram Reaction of Gram-variable Bacillus Species Isolated from Tobacco

    Directory of Open Access Journals (Sweden)

    Morin A

    2014-12-01

    Full Text Available Bacillus is a predominant genus of bacteria isolated from tobacco. The Gram stain is the most commonly used and most important of all diagnostic staining techniques in microbiology. In order to help confirm the Gram positivity of Bacillus isolates from tobacco, three methods using the chemical differences of the cell wall and membrane of Gram-positive and Gram-negative bacteria were investigated: the KOH (potassium hydroxide, the LANA (L-alanine-4-nitroanilide, and the vancomycin susceptibility tests. When colonies of Gram-negative bacteria are treated with 3% KOH solution, a slimy suspension is produced, probably due to destruction of the cell wall and liberation of deoxyribonucleic acid (DNA. Gram-positive cell walls resist KOH treatment. The LANA test reveals the presence of a cell wall aminopeptidase that hydrolyzes the L-alanine-4-nitroanilide in Gram-negative bacteria. This enzyme is absent in Gram-positive bacteria. Vancomycin is a glycopeptide antibiotic inhibiting the cell wall peptido-glycan synthesis of Gram-positive microorganisms. Absence of lysis with KOH, absence of hydrolysis of LANA, and susceptibility to vancomycin were used with the Gram reaction to confirm the Gram positivity of various Bacillus species isolated from tobacco. B. laevolacticus excepted, all Bacillus species tested showed negative reactions to KOH and LANA tests, and all species were susceptible to vancomycin (5 and 30 µg.

  11. Coordinated Voltage Control in Distribution Network with the Presence of DGs and Variable Loads Using Pareto and Fuzzy Logic

    Directory of Open Access Journals (Sweden)

    José Raúl Castro

    2016-02-01

    Full Text Available This paper presents an efficient algorithm to solve the multi-objective (MO voltage control problem in distribution networks. The proposed algorithm minimizes the following three objectives: voltage variation on pilot buses, reactive power production ratio deviation, and generator voltage deviation. This work leverages two optimization techniques: fuzzy logic to find the optimum value of the reactive power of the distributed generation (DG and Pareto optimization to find the optimal value of the pilot bus voltage so that this produces lower losses under the constraints that the voltage remains within established limits. Variable loads and DGs are taken into account in this paper. The algorithm is tested on an IEEE 13-node test feeder and the results show the effectiveness of the proposed model.

  12. In-situ carboxylation and synthesis of two novel Sm(III) coordination polymers assembled from 5-hydroxyisophthalate and nitrate, chloride in hydrothermal reaction

    International Nuclear Information System (INIS)

    Huang Yan; Yan Bing; Shao Min

    2008-01-01

    By reactions of 5-hydroxyisophthalic acid (H 2 hisp) with Sm(NO 3 ) 3 .6H 2 O or SmCl 3 .6H 2 O in the presence of NaOH, two kinds of samarium coordination polymers, [Sm(H 2 hbtc)(ox) 0.5 (H 2 O) 3 ] n .nH 2 O (1) (H 2 hbtc 2- =6-hydroxy-1,2,4-benzenetricarboxylate) and [Sm(hisp)(Hhisp)(H 2 O) 2 ] n .2nH 2 O (2), have been hydrothermal synthesized and characterized. Single-crystal X-ray analyses reveal that compound 1 features a novel two-dimensional (2D) stair-like structure with oxalate ligands and the new organic ligand (H 2 hbtc 2- ) but without 5-hydroxyisophthalate ligands, while compound 2 gives the expected product and displays a novel layer structure. The oxalate ligands have been formed via the in-situ reductive coupling of CO 2 molecules released from the decomposition of carboxylate ligands with the reduction of NO 3 - and the new organic ligands have been formed via the in-situ carboxylation under the presence of NO 3 - . Reported herein are the syntheses of compounds 1 and 2, crystal structures and possible mechanism information regarding the in-situ carboxylation. - Graphical abstract: Hydrothermal reactions of Sm(NO 3 ) 3 .6H 2 O or SmCl 3 .6H 2 O with 5-hydroxyisophthalic acid (H 2 hisp) have given rise to two different kinds of Sm(III) coordination polymers. Single-crystal X-ray analyses reveal that compound 1 features a novel 2D stair-like structure with oxalate and a new organic ligand, 6-hydroxy-1,2,4-benzenetricarboxylate, while compound 2 gives the normal product and displays a novel 2D layer structure. Oxalate ligands have been formed via the in-situ reductive coupling of CO 2 molecules released from the decomposition of 5-hydroxyisophthalate ligands with the reduction of NO 3 - and the new organic ligands have been formed via the in-situ carboxylation under the presence of NO 3 -

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

    Science.gov (United States)

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

    2016-06-07

    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. Nanoscopic analysis using Maruhn-Greiner theory by energy based variables in lattice for low energy nuclear reactions (LENRs)

    International Nuclear Information System (INIS)

    Cho, Hyo Sung; WooTae Ho

    2016-01-01

    Maruhn-Greiner theory is investigated for the low energy nuclear reactions (LENRs) in the aspect of the energy productions. Conventional nuclear reactions could give the hints in another kind of the nuclear theoretical utilizations. The results of simulations show the ranges of the configurations for H-ion to Pd with 10; 000 ions as 10 and 180 keV. The most probable ranges are 30 and 600 nanometers respectively. In the simulation result of broad energy regions, the cutoff energy, 350 keV , is very significant in analyzing the LENR, because the range usually depends on the entering particle, target particle, and energy of the entering particle. Therefore, the 350 keV shows there is priority for hydrogen interaction from the energy. In the analysis, the water (H_2O) has the better possibility in LENR after the 350 keV . Following the simulation for searching LENRs, the possible conditions that include the energy based variables of atomic ranges, Debye length, and reaction time has been investigated for the designed energy productions

  15. Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions.

    Science.gov (United States)

    Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

    2017-04-28

    Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.

  16. Charged particle cross-section database for medical radioisotope production: diagnostic radioisotopes and monitor reactions. Final report of a co-ordinated research project

    International Nuclear Information System (INIS)

    2001-05-01

    Medical applications of nuclear radiation are of considerable interest to the IAEA. Cyclotrons and accelerators, available in recent years in an increasing number of countries, are being used for the production of radioisotopes for both diagnostic and therapeutic purposes. The physical basis of this production is described through interaction of charged particles, such as protons, deuterons and alphas, with matter. These processes have to be well understood in order to produce radioisotopes in an efficient and clean manner. In addition to medical radioisotope production, reactions with low energy charged particles are of primary importance for two major applications. Techniques of ion beam analysis use many specific reactions to identify material properties, and in nuclear astrophysics there is interest in numerous reaction rates to understand nucleosynthesis in the Universe. A large number of medically oriented cyclotrons have been running in North America, western Europe and Japan for more than two decades. In recent years, 30-40 MeV cyclotrons and smaller cyclotrons (E p < 20 MeV) have been installed in several countries. Although the production methods are well established, there are no evaluated and recommended nuclear data sets available. The need for standardization was thus imminent. This was pointed out at three IAEA meetings. Based on the recommendations made at these meetings, the IAEA decided to undertake and organize the Co-ordinated Research Project (CRP) on Development of Reference Charged Particle Cross-Section Database for Medical Radioisotope Production. The project was initiated in 1995. It focused on radioisotopes for diagnostic purposes and on the related beam monitor reactions in order to meet current needs. It constituted the first major international effort dedicated to standardization of nuclear data for radioisotope production. It covered the following areas: Compilation of data on the most important reactions for monitoring light ion

  17. Separation and preparation of xanthochymol and guttiferone E by high performance liquid chromatography and high speed counter-current chromatography combined with silver nitrate coordination reaction.

    Science.gov (United States)

    Li, Jun; Gao, Ruixi; Zhao, Dan; Huang, Xianju; Chen, Yu; Gan, Fei; Liu, Hui; Yang, Guangzhong

    2017-08-18

    Xanthochymol (XCM) and guttiferone E (GFE), a pair of π bond benzophenone isomers from Garcinia xanthochymus, were once reported to be difficult or impossible to separate. The present study reports the successful separation of these two isomers through high performance liquid chromatography (HPLC), as well as their effective isolation using high speed counter-current chromatography (HSCCC) based on the silver nitrate (AgNO 3 ) coordination reaction. First, an effective HPLC separation system was developed, achieving a successful baseline separation with resolution of 2.0. Based on the partition coefficient (K) resolved by HPLC, the two-phase solvent system was determined as n-hexane, methanol and water with the uncommon volume ratio of 4:6:1. A crude extract of Garcinia xanthochymus (0.2g) was purified by normal HSCCC and refined with AgNO 3 -HSCCC. Monomers of XCM and GFE were identified by HPLC, mass spectrometry (MS) and nuclear magnetic resonance (NMR). The results demonstrate the separation and isolation of π bond benzophenone isomers using ordinary octadecyl silane (C 18 ) columns and HSCCC. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Emotional reaction evaluation provoked by the vestibular caloric test through physiological variables monitoring.

    Science.gov (United States)

    Barona-de-Guzmán, Rafael; Krstulovic-Roa, Claudio; Donderis-Malea, Elena; Barona-Lleó, Luz

    2018-03-08

    The emotional evaluation of the causes of vertigo is made using the clinical records and several subjective questionnaires. The aim of the present study is to evaluate the emotional response objectively, in normal subjects, during an induced vertigo crisis. A caloric vestibular test with cold water was performed on 30 healthy subjects. The following physiological parameters were monitored during the 60seconds prior to and the 60seconds after the stimulation: Skin Conductivity, Peripheral Pulse Volume, Body Temperature, Muscle Contraction, Heart Rate, and Respiratory Rate. The maximum angular speed of the nystagmus slow phase at each stimulation was assessed. Skin conductance presented a statistically significant increase during the vertigo crisis in relation to the prior period while the peripheral pulse volume presented a statistically significant decrease. There was no relationship between the slow phase of the provoked nystagmus angular speed and skin conductance and peripheral pulse volume changes. The decrease in peripheral pulse volume was significantly higher in the second vertigo crisis. Skin conductance and peripheral pulse volume changed significantly during a vertigo crisis. There was no relation between the provoked vertiginous crisis intensity and the changes produced in those variables. The stress generated by the caloric stimulation is higher in the second crisis, when the subject has experience of the vertigo caused by the stimulation. Copyright © 2018 Sociedad Española de Otorrinolaringología y Cirugía de Cabeza y Cuello. Publicado por Elsevier España, S.L.U. All rights reserved.

  19. A modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model for predicting liquid viscosity of pure organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seongmin; Park, Kiho; Yang, Dae Ryook [Korea University, Seoul (Korea, Republic of); Kwon, Yunkyung; Park, Taeyun [ChemEssen Inc., Seoul (Korea, Republic of)

    2017-10-15

    Liquid viscosity is an important physical property utilized in engineering designs for transportation and processing of fluids. However, the measurement of liquid viscosity is not always easy when the materials have toxicity and instability. In this study, a modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model is suggested and analyzed in terms of its performance of prediction for liquid viscosity compared to the conventional SVRC-QSPR model and the other methods. The modification was conducted by changing the initial point from triple point to ambient temperature (293 K), and assuming that the liquid viscosity at critical temperature is 0 cP. The results reveal that the prediction performance of the modified SVRC-QSPR model is comparable to the other methods as showing 7.90% of mean absolute percentage error (MAPE) and 0.9838 of R{sup 2}. In terms of both the number of components and the performance of prediction, the modified SVRC-QSPR model is superior to the conventional SVRC-QSPR model. Also, the applicability of the model is improved since the condition of the end points of the modified model is not so restrictive as the conventional SVRC-QSPR model.

  20. A modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model for predicting liquid viscosity of pure organic compounds

    International Nuclear Information System (INIS)

    Lee, Seongmin; Park, Kiho; Yang, Dae Ryook; Kwon, Yunkyung; Park, Taeyun

    2017-01-01

    Liquid viscosity is an important physical property utilized in engineering designs for transportation and processing of fluids. However, the measurement of liquid viscosity is not always easy when the materials have toxicity and instability. In this study, a modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model is suggested and analyzed in terms of its performance of prediction for liquid viscosity compared to the conventional SVRC-QSPR model and the other methods. The modification was conducted by changing the initial point from triple point to ambient temperature (293 K), and assuming that the liquid viscosity at critical temperature is 0 cP. The results reveal that the prediction performance of the modified SVRC-QSPR model is comparable to the other methods as showing 7.90% of mean absolute percentage error (MAPE) and 0.9838 of R 2 . In terms of both the number of components and the performance of prediction, the modified SVRC-QSPR model is superior to the conventional SVRC-QSPR model. Also, the applicability of the model is improved since the condition of the end points of the modified model is not so restrictive as the conventional SVRC-QSPR model.

  1. Genetic variability in Brazilian populations of Biomphalaria straminea complex detected by simple sequence repeat anchored polymerase chain reaction amplification

    Directory of Open Access Journals (Sweden)

    Caldeira Roberta L

    2001-01-01

    Full Text Available Biomphalaria glabrata, B. tenagophila and B. straminea are intermediate hosts of Schistosoma mansoni, in Brazil. The latter is of epidemiological importance in the northwest of Brazil and, due to morphological similarities, has been grouped with B. intermedia and B. kuhniana in a complex named B. straminea. In the current work, we have standardized the simple sequence repeat anchored polymerase chain reaction (SSR-PCR technique, using the primers (CA8RY and K7, to study the genetic variability of these species. The similarity level was calculated using the Dice coefficient and genetic distance using the Nei and Li coefficient. The trees were obtained by the UPGMA and neighbor-joining methods. We have observed that the most related individuals belong to the same species and locality and that individuals from different localities, but of the same species, present clear heterogeneity. The trees generated using both methods showed similar topologies. The SSR-PCR technique was shown to be very efficient in intrapopulational and intraspecific studies of the B. straminea complex snails.

  2. Stability and variability of acoustically specified coordination patterns while walking side-by-side on a treadmill: Does the seagull effect hold?

    NARCIS (Netherlands)

    van Ulzen, N.R.; Lamoth, C.J.C.; Daffertshofer, A.; Semin, G.R.; Beek, P.J.

    2010-01-01

    To examine whether the Haken-Kelso-Bunz model for rhythmic interlimb coordination applies to walking side-by-side on a treadmill, we invited six pairs of participants to coordinate their stepping movements at seven prescribed relative phases (between 0° and 180°) to scan the attractor layout

  3. NUMBER OF SUCCESSIVE CYCLES NECESSARY TO ACHIEVE STABILITY OF SELECTED GROUND REACTION FORCE VARIABLES DURING CONTINUOUS JUMPING

    Directory of Open Access Journals (Sweden)

    Jasmes M.W. Brownjohn

    2009-12-01

    Full Text Available Because of inherent variability in all human cyclical movements, such as walking, running and jumping, data collected across a single cycle might be atypical and potentially unable to represent an individual's generalized performance. The study described here was designed to determine the number of successive cycles due to continuous, repetitive countermovement jumping which a test subject should perform in a single experimental session to achieve stability of the mean of the corresponding continuously measured ground reaction force (GRF variables. Seven vertical GRF variables (period of jumping cycle, duration of contact phase, peak force amplitude and its timing, average rate of force development, average rate of force relaxation and impulse were extracted on the cycle-by-cycle basis from vertical jumping force time histories generated by twelve participants who were jumping in response to regular electronic metronome beats in the range 2-2.8 Hz. Stability of the selected GRF variables across successive jumping cycles was examined for three jumping rates (2, 2.4 and 2.8 Hz using two statistical methods: intra-class correlation (ICC analysis and segmental averaging technique (SAT. Results of the ICC analysis indicated that an average of four successive cycles (mean 4.5 ± 2.7 for 2 Hz; 3.9 ± 2.6 for 2.4 Hz; 3.3 ± 2.7 for 2.8 Hz were necessary to achieve maximum ICC values. Except for jumping period, maximum ICC values took values from 0.592 to 0.991 and all were significantly (p < 0.05 different from zero. Results of the SAT revealed that an average of ten successive cycles (mean 10.5 ± 3.5 for 2 Hz; 9.2 ± 3.8 for 2.4 Hz; 9.0 ± 3.9 for 2.8 Hz were necessary to achieve stability of the selected parameters using criteria previously reported in the literature. Using 10 reference trials, the SAT required standard deviation criterion values of 0.49, 0.41 and 0.55 for 2 Hz, 2.4 Hz and 2.8 Hz jumping rates, respectively, in order to approximate

  4. Variable primary coordination environments of Cd(ɪɪ) binding to three helix bundles provide a pathway for rapid metal exchange

    DEFF Research Database (Denmark)

    Tebo, Alison G.; Hemmingsen, Lars Bo Stegeager; Pecoraro, Vincent L.

    2015-01-01

    exchange between CdS3O and CdS4 coordination spheres. Correlation of (111m)Cd PAC spectroscopy and (113)Cd NMR spectroscopy suggests that Cd(ii) coordinated to CadC is in fast exchange between CdS3O and CdS4 forms, which may provide a mechanism for rapid sensing of heavy metal contaminants...

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

    DEFF Research Database (Denmark)

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

    2011-01-01

    coordinated amine groups) at pH above 6. These findings are supported by pH titrations of mixtures of Cu2+ and [24.31]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...

  6. Psycho-physiological reactions to violent video gaming : Experimental studies of heart rate variability, cortisol, sleep and emotional reactions in teenage boys

    OpenAIRE

    Ivarsson, Malena

    2014-01-01

    Playing violent video games may provoke aggression. Psycho-physiological methods may provide knowledge about the underlying psychological processes. Most previous studies have been performed in laboratory settings at daytime with adults. Thus the aim of this thesis was to investigate psycho-physiological (autonomic and HPA related reactions), sleep-related and emotional responses in teenage boys to playing a violent and a non-violent video game at home before going to sleep. In Study I the au...

  7. Early Life Stress-Related Elevations in Reaction Time Variability Are Associated with Brain Volume Reductions in HIV+ Adults

    Directory of Open Access Journals (Sweden)

    Uraina S. Clark

    2018-01-01

    Full Text Available There is burgeoning evidence that, among HIV+ adults, exposure to high levels of early life stress (ELS is associated with increased cognitive impairment as well as brain volume abnormalities and elevated neuropsychiatric symptoms. Currently, we have a limited understanding of the degree to which cognitive difficulties observed in HIV+ High-ELS samples reflect underlying neural abnormalities rather than increases in neuropsychiatric symptoms. Here, we utilized a behavioral marker of cognitive function, reaction time intra-individual variability (RT-IIV, which is sensitive to both brain volume reductions and neuropsychiatric symptoms, to elucidate the unique contributions of brain volume abnormalities and neuropsychiatric symptoms to cognitive difficulties in HIV+ High-ELS adults. We assessed the relation of RT-IIV to neuropsychiatric symptom levels and total gray and white matter volumes in 44 HIV+ adults (26 with high ELS. RT-IIV was examined during a working memory task. Self-report measures assessed current neuropsychiatric symptoms (depression, stress, post-traumatic stress disorder. Magnetic resonance imaging was used to quantify total gray and white matter volumes. Compared to Low-ELS participants, High-ELS participants exhibited elevated RT-IIV, elevated neuropsychiatric symptoms, and reduced gray and white matter volumes. Across the entire sample, RT-IIV was significantly associated with gray and white matter volumes, whereas significant associations with neuropsychiatric symptoms were not observed. In the High-ELS group, despite the presence of elevated neuropsychiatric symptom levels, brain volume reductions explained more than 13% of the variance in RT-IIV, whereas neuropsychiatric symptoms explained less than 1%. Collectively, these data provide evidence that, in HIV+ High-ELS adults, ELS-related cognitive difficulties (as indexed by RT-IIV exhibit strong associations with global brain volumes, whereas ELS-related elevations in

  8. Studies of the yields of 57Fe(II)-species produced after the EC-decay and of 60Co(II)-species produced in the (n, γ) reaction in cobalt(III) coordination compounds

    International Nuclear Information System (INIS)

    Sano, Hirotoshi; Harada, Masayuki; Endo, Kazutoyo

    1978-01-01

    The yields of 57 Fe(II)-species produced after EC-decay were compared with those of 60 Co(II)-species produced in the 59 Co(n, γ) 60 Co reaction for twelve cobalt(III) coordination compounds. The results indicate that the radiochemical yield of 60 Co(II)-species correlates with the yield of 57 Fe(II)-species except in the case of [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 . The anomalously low yield of 57 Fe(II)-species in [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 is ascribed to the reaction of chromate anions with ammine ligands initiated by the nuclear transformation in a solid. (author)

  9. Transcranial Direct Current Stimulation of the Leg Motor Cortex Enhances Coordinated Motor Output During Walking With a Large Inter-Individual Variability

    NARCIS (Netherlands)

    van Asseldonk, Edwin H.F.; Boonstra, Tjitske

    2016-01-01

    Background Transcranial direct current stimulation (tDCS) can augment force generation and control in single leg joints in healthy subjects and stroke survivors. However, it is unknown whether these effects also result in improved force production and coordination during walking and whether

  10. Poisson Coordinates.

    Science.gov (United States)

    Li, Xian-Ying; Hu, Shi-Min

    2013-02-01

    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.

  11. Annual Research Review: Reaction time variability in ADHD and autism spectrum disorders: measurement and mechanisms of a proposed trans-diagnostic phenotype

    Science.gov (United States)

    Karalunas, Sarah L.; Geurts, Hilde M.; Konrad, Kerstin; Bender, Stephan; Nigg, Joel T.

    2014-01-01

    Background Intraindividual variability in reaction time (RT) has received extensive discussion as an indicator of cognitive performance, a putative intermediate phenotype of many clinical disorders, and a possible trans-diagnostic phenotype that may elucidate shared risk factors for mechanisms of psychiatric illnesses. Scope and Methodology Using the examples of attention deficit hyperactivity disorder (ADHD) and autism spectrum disorders (ASD), we discuss RT variability. We first present a new meta-analysis of RT variability in ASD with and without comorbid ADHD. We then discuss potential mechanisms that may account for RT variability and statistical models that disentangle the cognitive processes affecting RTs. We then report a second meta-analysis comparing ADHD and non-ADHD children on diffusion model parameters. We consider how findings inform the search for neural correlates of RT variability. Findings Results suggest that RT variability is increased in ASD only when children with comorbid ADHD are included in the sample. Furthermore, RT variability in ADHD is explained by moderate to large increases (d = 0.63–0.99) in the ex-Gaussian parameter τ and the diffusion parameter drift rate, as well as by smaller differences (d = 0.32) in the diffusion parameter of nondecision time. The former may suggest problems in state regulation or arousal and difficulty detecting signal from noise, whereas the latter may reflect contributions from deficits in motor organization or output. The neuroimaging literature converges with this multicomponent interpretation and also highlights the role of top-down control circuits. Conclusion We underscore the importance of considering the interactions between top-down control, state regulation (e.g. arousal), and motor preparation when interpreting RT variability and conclude that decomposition of the RT signal provides superior interpretive power and suggests mechanisms convergent with those implicated using other cognitive

  12. Low-coordinate rare-earth complexes of the asymmetric 2,4-di-tert-butylphenolate ligand prepared by redox transmetallation/protolysis reactions, and their reactivity towards ring-opening polymerisation.

    Science.gov (United States)

    Clark, Lawrence; Deacon, Glen B; Forsyth, Craig M; Junk, Peter C; Mountford, Philip; Townley, Josh P

    2010-08-07

    New trivalent lanthanoid aryloxide complexes have been prepared by redox transmetallation/protolysis (rtp) reactions using 2,4-di-tert-butylphenol (dbpH). Mononuclear octahedral complexes from tetrahydrofuran (thf) were of the type [Ln(dbp)(3)(thf)(3)] (Ln = La (1), Pr (2), Nd (3), Gd (4), Er (5)). The lanthanoid contraction results in the rather subtle change in stereochemistry from meridional (La, Pr, Nd, Gd) to facial (Er). An analogous reaction with neodymium in dimethoxyethane (dme), resulted in the isolation of the seven coordinate [Nd(dbp)(3)(dme)(2)] (6), and this is comparable with the thf complexes in terms of steric crowding. Dinuclear complexes of the type [Ln(2)(dbp)(6)(thf)(2)], (Ln = Nd (7), Er (8)) were obtained when 1 and 5 were recrystallised from toluene. These dimeric complexes contain two bridging and four terminal phenolates, as well as a single coordinated molecule of thf at each metal. A similar structural motif was observed for the products when the reaction was performed in diethyl ether, and in the absence of a solvent, yielding [Nd(2)(dbp)(6)(Et(2)O)(2)] (9) and [Nd(2)(dbp)(6)(dbpH)(2)] (10) respectively. Complexes 3 and 4 alone were efficient but poorly-controlled initiators for the ROP of rac-lactide, but with an excess of BnOH as a co-initiator they showed features consistent with immortal polymerisation. Use of BnNH(2) led to well-controlled, amine-initiated immortal ROP of rac-lactide, only the second report of this type of process for a group 3 or lanthanoid system.

  13. Phenotypic variability in developmental coordination disorder: Clustering of generalized joint hypermobility with attention deficit/hyperactivity disorder, atypical swallowing and narrative difficulties.

    Science.gov (United States)

    Celletti, Claudia; Mari, Giorgia; Ghibellini, Giulia; Celli, Mauro; Castori, Marco; Camerota, Filippo

    2015-03-01

    Developmental coordination disorder (DCD) is a recognized childhood disorder mostly characterized by motor coordination difficulties. Joint hypermobility syndrome, alternatively termed Ehlers-Danlos syndrome, hypermobility type (JHS/EDS-HT), is a hereditary connective tissue disorder mainly featuring generalized joint hypermobility (gJHM), musculoskeletal pain, and minor skin features. Although these two conditions seem apparently unrelated, recent evidence highlights a high rate of motor and coordination findings in children with gJHM or JHS/EDS-HT. Here, we investigated the prevalence of gJHM in 41 Italian children with DCD in order to check for the existence of recognizable phenotypic subgroups of DCD in relation to the presence/absence of gJHM. All patients were screened for Beighton score and a set of neuropsychological tests for motor competences (Movement Assessment Battery for Children and Visual-Motor Integration tests), and language and learning difficulties (Linguistic Comprehension Test, Peabody Picture Vocabulary Test, Boston Naming Test, Bus Story Test, and Memoria-Training tests). All patients were also screening for selected JHS/EDS-HT-associated features and swallowing problems. Nineteen (46%) children showed gJHM and 22 (54%) did not. Children with DCD and gJHM showed a significant excess of frequent falls (95 vs. 18%), easy bruising (74 vs. 0%), motor impersistence (89 vs. 23%), sore hands for writing (53 vs. 9%), attention deficit/hyperactivity disorder (89 vs. 36%), constipation (53 vs. 0%), arthralgias/myalgias (58 vs. 4%), narrative difficulties (74 vs. 32%), and atypical swallowing (74 vs. 18%). This study confirms the non-causal association between DCD and gJHM, which, in turn, seems to increase the risk for non-random additional features. The excess of language, learning, and swallowing difficulties in patients with DCD and gJHM suggests a wider effect of lax tissues in the development of the nervous system. © 2015 Wiley Periodicals, Inc.

  14. Multi-element Analysis of variable sample matrices using collision/reaction cell inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Zahran, N.F.; Helal, A.I.; Amr, M.A.; Amr, M.A.; Al-saad, K.A.

    2008-01-01

    An ICP-MS with an octopole reaction/collision cell is used for the multielement determination of trace elements in water, plants, and soil samples. The use of a reaction or collision gas reduces serious spectral interferences from matrix elements such as Ar Cl or Ar Na. The background equivalent concentration (BEC) is reduced one order of magnitude at helium flow rate of 1 mL/min. Certified reference material namely , NIST Water-1643d, Tomato leaves 1573a, and Montana soil 2711 are used. The trace elements Mn, Fe, Co, Ni, Cu, Zn, As, Mo, Cd and Pb are determined in the different matrices with a accuracy better than 8% to the certified values

  15. Simulation of Few Bifurcation Phase Diagrams of Belousov-Zhabotinsky Reaction with Eleven Variable Chaotic Model in CSTR

    Directory of Open Access Journals (Sweden)

    B. Swathi

    2009-01-01

    Full Text Available Simulation of the Gyorgyi, Rempe and Field eleven variable chaotic model in CSTR [Continuously Stirred Tank Reactor] is performed with respect to the concentrations of malonic acid and [Ce(III]. These simulation studies show steady state, periodic and non-periodic regions. These studies have been presented as two variable bifurcation phase diagrams. We also have observed the bursting phenomenon under different set of constraints. We have given much importance on computer simulation work but not included the experimental methods in this paper.

  16. Study of nuclear reactions with the Skyrme interaction; static properties by the self-consistent method; dynamic properties by the generator-coordinate method

    International Nuclear Information System (INIS)

    Flocard, Hubert.

    1975-01-01

    Using the same effective interaction depending only on 6 parameters a large number of nuclear properties are calculated, and the results are compared with experiment. Total binding energies of all nuclei of the chart table are reproduced within 5MeV. It is shown that the remaining discrepancy is coherent with the increase of total binding energy that can be expected from the further inclusion of collective motion correlations. Monopole, quadrupole and hexadecupole part of the charge densities are also reproduced with good accuracy. The deformation energy curves of many nuclei ranging from carbon to superheavy elements are calculated, and the different features of these curves are discussed. It should be noted that the fission barrier of actinide nuclei has been obtained and the results exhibit the well known two-bump shape. In addition the fusion energy curve of two 16 O merging in one nucleus 32 S has been completed. Results concerning monopole, dipole and quadrupole giant resonances of light nuclei obtained within the frame of the generator coordinate method are also presented. The calculated position of these resonances agree well with present available data [fr

  17. Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

    Energy Technology Data Exchange (ETDEWEB)

    Ali, M., E-mail: ali.mehidi93@gmail.com [Department of Mathematics, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Department of Mathematics, Chittagong University of Engineering and Technology, Chittagong-4349 (Bangladesh); Alim, M. A., E-mail: maalim@math.buet.ac.bd; Nasrin, R., E-mail: rehena@math.buet.ac.bd [Department of Mathematics, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh); Alam, M. S., E-mail: shahalammaths@gmail.com [Department of Mathematics, Chittagong University of Engineering and Technology, Chittagong-4349 (Bangladesh)

    2016-07-12

    An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocity profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.

  18. Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

    International Nuclear Information System (INIS)

    Ali, M.; Alim, M. A.; Nasrin, R.; Alam, M. S.

    2016-01-01

    An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocity profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.

  19. A multidimensional study of clustering in the reactions π +- p → pπ+π+-π- at 16 GeV/c using the Yang variables

    International Nuclear Information System (INIS)

    Honecker, R.; Laven, H.; Schmitz, P.; Stopa, P.; Wojcik, W.

    1979-01-01

    The clustering of events in 7-dimensional phase space is studied in the reactions π +- p → pπ+π +- π - at 16 GeV/c. The Yang variables are used for locating events in the phase space. Clusters are defined and events are allocated by a novel iterative technique. This is based on a measurement of the distance of each event from the cluster centre, weighted by the covariance matrix of the event density. The clusters found are then related to reaction mechanisms such as diffraction dissociation of pion and proton, resonance production, etc. High mass enhancements in the (3π) system and in the (pπ + π - ) system are identified and separated from other mechanisms. Cross sections are given for individual sub-channels and compared to results obtained by other techniques. (author)

  20. Micron-sized columnar grains of CH3NH3PbI3 grown by solvent-vapor assisted low-temperature (75 °C) solid-state reaction: The role of non-coordinating solvent-vapor

    Science.gov (United States)

    Zheng, Huifeng; Liu, Yangqiao; Sun, Jing

    2018-04-01

    The preparation of hybrid perovskite films with large columnar grains via low-temperature solid-state reaction remains a big challenge. Conventional solvent annealing using DMF, DMSO and ethanol, etc. fails to work effectively at low temperature (solar cells based on benzyl-alcohol-vapor annealing (75 °C), delivered much higher photovoltaic performance, better stability and smaller hysteresis than those based on conventional thermal annealing. Additionally, a champion power conversion efficiency (PCE) of 15.1% was obtained and the average PCE reached 12.2% with a tiny deviation. Finally, the mechanism of solvent annealing with non-coordinating solvent was discussed. Moreover, we revealed that high polarity and high boiling point of the solvent used for generating vapor, was critical to grow micron-sized columnar grains at such a low temperature (75 °C). This work will contribute to understanding the mechanism of grain growth in solvent annealing and improving its facility and effectiveness.

  1. A Note on Variable Viscosity and Chemical Reaction Effects on Mixed Convection Heat and Mass Transfer Along a Semi-Infinite Vertical Plate

    Directory of Open Access Journals (Sweden)

    Mostafa A. A. Mahmoud

    2007-01-01

    Full Text Available In the present study, an analysis is carried out to study the variable viscosity and chemical reaction effects on the flow, heat, and mass transfer characteristics in a viscous fluid over a semi-infinite vertical porous plate. The governing boundary layer equations are written into a dimensionless form by similarity transformations. The transformed coupled nonlinear ordinary differential equations are solved numerically by using the shooting method. The effects of different parameters on the dimensionless velocity, temperature, and concentration profiles are shown graphically. In addition, tabulated results for the local skin-friction coefficient, the local Nusselt number, and the local Sherwood number are presented and discussed.

  2. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    -, č. 274 (2005), s. 1-26 ISSN 1211-3298 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * crises * cycles and fluctuations Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp274.pdf

  3. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    2008-01-01

    Roč. 63, č. 1 (2008), s. 308-327 ISSN 0899-8256 Institutional research plan: CEZ:AV0Z70850503 Keywords : global games * coordination * crises * cycles and fluctuations Subject RIV: AH - Economics Impact factor: 1.333, year: 2008

  4. Exploring the metal coordination properties of the pyrimidine part of purine nucleobases: isomerization reactions in heteronuclear Pt(II)/Pd(II) of 9-methyladenine.

    Science.gov (United States)

    Ibáñez, Susana; Albertí, Francisca M; Sanz Miguel, Pablo J; Lippert, Bernhard

    2011-10-17

    The synthesis and characterization of three heteronuclear Pt(2)Pd(2) (4, 5) and PtPd(2) (6) complexes of the model nucleobase 9-methyladenine (9-MeA) is reported. The compounds were prepared by reacting [Pt(NH(3))(3)(9-MeA-N7)](ClO(4))(2) (1) with [Pd(en)(H(2)O)(2)](ClO(4))(2) at different ratios r between Pt and Pd, with the goal to probe Pd(II) binding to any of the three available nitrogen atoms, N1, N3, N6 or combinations thereof. Pd(II) coordination occurs at N1 and at the deprotonated N6 positions, yet not at N3. 4 and 5 are isomers of [{(en)Pd}(2){N1,N6-9-MeA(-)-N7)Pt(NH(3))(3)}(2)](ClO(4))(6)·nH(2)O, with a head-head orientation of the two bridging 9-MeA(-) ligands in 4 and a head-tail orientation in 5. 6 is [{(en)Pd}(2)(OH)(N1,N6-9MeA(-)-N7)Pt(NH(3))(3)](ClO(4))(4)·4H(2)O, hence a condensation product between [Pt(NH(3))(3)(9-MeA-N7)](2+) and a μ-OH bridged dinuclear (en)Pd-OH-Pd(en) unit, which connects the N1 and N6 positions of 9-MeA(-) in an intramolecular fashion. 4 and 5, which slowly interconvert in aqueous solution, display distinct structural differences such as significantly different intramolecular Pd···Pd contacts (3.124 0(16) Å in 4; 2.986 6(14) Å in 5), among others. Binding of (en)Pd(II) to the exocyclic N6 atom in 4 and 5 is accompanied by a large movement of Pd(II) out of the 9-MeA(-) plane and a trend to a further shortening of the C6-N6 bond as compared to free 9-MeA. The packing patterns of 4 and 5 reveal substantial anion-π interactions.

  5. Using Adobe Flash Lite on mobile phones for psychological research: Reaction time measurement reliability and interdevice variability.

    Science.gov (United States)

    Reimers, Stian; Stewart, Neil

    2008-11-01

    Mobile telephones have significant potential for use in psychological research, possessing unique characteristics-not least their ubiquity--that may make them useful tools for psychologists. We examined whether it is possible to measure reaction times (RTs) accurately using Adobe Flash Lite on mobile phones. We ran simple and choice RT experiments on two widely available mobile phones, a Nokia 6110 Navigator and a Sony Ericsson W810i, using a wireless application protocol (WAP) connection to access the Internet from the devices. RTs were compared within subjects with those obtained using a Linux-based millisecond-accurate measurement system. Results show that measured RTs were significantly longer on mobile devices, and that overall RTs and distribution of RTs varied across devices.

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

    KAUST Repository

    Quitterer, Felix; Frank, Annika; Wang, Ke; Rao, Guodong; O'Dowd, Bing; Li, Jikun; Guerra, Francisco; Abdel-Azeim, Safwat; Bacher, Adelbert; Eppinger, Jö rg; Oldfield, Eric; Groll, Michael

    2015-01-01

    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.

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

    KAUST Repository

    Quitterer, Felix

    2015-04-11

    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.

  8. The Effects of Reaction Variables on Solution Polymerization of Vinyl Acetate and Molecular Weight of Poly(vinyl alcohol Using Taguchi Experimental Design

    Directory of Open Access Journals (Sweden)

    M.H. Navarchian

    2009-12-01

    Full Text Available Poly(vinyl acetate is synthesized via solution polymerization, and then it is converted to poly(vinyl alcohol by alkaline alcoholysis. The aim of the work study was to investigate statistically the  influence of reaction variables in vinyl acetate polymerization, the conversion of this monomer to polymer, degree of branching of acetyl group in poly(vinyl acetate, as well as the molecular weight of poly(vinyl alcohol, using Taguchi experimental design approach. The reaction variables were polymerization time, molar ratio of initiator to monomer, and volume ratio of monomer to solvent. The statistical analysis of variance of the results revealed that all factors have significantly influenced the conversion and degree of branching. Volume ratio of monomer to solvent is the only factor affecting the molecular weight of poly(vinyl alcohol, and has the greatest influence on all responses. By increasing this ratio, the conversion, degree of branching of acetyl group in poly(vinyl acetate, and molecular weight of poly(vinyl alcohol were increased.

  9. Conservation of fusion reaction optimum yield in focused discharges with variable voltage and energy but constant geometry

    International Nuclear Information System (INIS)

    Bilbao, L.; Bortolotti, A.; Brzosko, J.; DeChiara, P.; Kilic, H.; Mezzetti, F.; Nardi, V.; Powell, C.; Wang, J.

    1992-01-01

    The D-D fusion reaction yield per pulse, Y n , of focused discharges is monitored by changing the capacitor bank voltage Vo by a factor 2 without any change of construction parameters and of the filling gas pressure of two plasma focus machines PF1 (C1 congruent 50 microfarad, L1 congruent 20 nanohenry) and PF2 (C2 = 1.2Cl, L2 = 2L1). The interval Δ = 1 ± (ΔW)/W of the capacitor bank energy values W on which the scaling Y n ∼ W 2 applies is greater for PF2, where the corresponding variation ΔI2 of the peak electrode current I2 is smaller (in agreement with Lw/C2 > L1/C1) than for PF1. Suitable figure of merit (in terms of ΔI, ΔW, L, C, etc.) are used for determining the relative importance of (i), the induced variations of the pinch fine structure and of (ii), the variations of the insulator surface at the PF breech, with bearing on the initial stage of the current sheath formation. Schlieren and magnetic probe data monitor the current sheath structure and propagation speed. The D + ion emission from the pinch is monitored in the energy interval 50 keV to 25 MeV for clarifying the links between the pinch fine structure and the set of leading macroscopic parameters of the PF discharges

  10. Enzymatic Synthesis of Highly Fluorescent 8-Azapurine Ribosides Using a Purine Nucleoside Phosphorylase Reverse Reaction: Variable Ribosylation Sites

    Directory of Open Access Journals (Sweden)

    Goran Mikleušević

    2013-10-01

    Full Text Available Various forms of purine-nucleoside phosphorylase (PNP were used as catalysts of enzymatic ribosylation of selected fluorescent 8-azapurines. It was found that the recombinant calf PNP catalyzes ribosylation of 2,6-diamino-8-azapurine in a phosphate-free medium, with ribose-1-phosphate as ribose donor, but the ribosylation site is predominantly N7 and N8, with the proportion of N8/N7 ribosylated products markedly dependent on the reaction conditions. Both products are fluorescent. Application of the E. coli PNP gave a mixture of N8 and N9-substituted ribosides. Fluorescence of the ribosylated 2,6-diamino-8-azapurine has been briefly characterized. The highest quantum yield, ~0.9, was obtained for N9-β-d-riboside (λmax 365 nm, while for N8-β-d-riboside, emitting at ~430 nm, the fluorescence quantum yield was found to be close to 0.4. Ribosylation of 8-azaguanine with calf PNP as a catalyst goes exclusively to N9. By contrast, the E. coli PNP ribosylates 8-azaGua predominantly at N9, with minor, but highly fluorescent products ribosylated at N8/N7.

  11. TECHNICAL COORDINATION

    CERN Multimedia

    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 ...

  12. Linkage isomerism of carbonyl coordination complexes formed upon CO adsorption on the zeolite Li-ZSM-5: variable-temperature FTIR studies

    Science.gov (United States)

    Otero Areán, C.; Rodríguez Delgado, M.; Manoilova, O. V.; Turnes Palomino, G.; Tsyganenko, A. A.; Garrone, E.

    2002-08-01

    Carbon monoxide adsorbed at a low-temperature on the zeolite Li-ZSM-5 forms Li +⋯CO and Li +⋯(CO) 2 species characterized by C-O stretching bands at 2195 and 2187 cm-1, respectively. These C-bonded carbonyls are in a temperature-dependent equilibrium with Li +⋯OC and CO⋯Li +⋯CO species having O-bonded CO. By means of variable-temperature FTIR spectroscopy, the enthalpy change involved in the corresponding isomerization process was found to be ΔH°=7.8 kJ mol-1 for the monocarbonyl and ΔH°=5.1 kJ mol-1 for the dicarbonyl. Therefore, although C-bonded species were always found to show a higher cation-CO interaction energy than O-bonded species, the difference is smaller in the case of dicarbonyls.

  13. Coordinating controls

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1986-07-15

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics.

  14. Coordinated unbundling

    DEFF Research Database (Denmark)

    Timmermans, Bram; Zabala-Iturriagagoitia, Jon Mikel

    2013-01-01

    Public procurement for innovation is a matter of using public demand to trigger innovation. Empirical studies have demonstrated that demand-based policy instruments can be considered to be a powerful tool in stimulating innovative processes among existing firms; however, the existing literature has...... not focused on the role this policy instrument can play in the promotion of (knowledge-intensive) entrepreneurship. This paper investigates this link in more detail and introduces the concept of coordinated unbundling as a strategy that can facilitate this purpose. We also present a framework on how...

  15. Coordinating controls

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics

  16. Increased reaction time variability in attention-deficit hyperactivity disorder as a response-related phenomenon: evidence from single-trial event-related potentials.

    Science.gov (United States)

    Saville, Christopher W N; Feige, Bernd; Kluckert, Christian; Bender, Stephan; Biscaldi, Monica; Berger, Andrea; Fleischhaker, Christian; Henighausen, Klaus; Klein, Christoph

    2015-07-01

    Increased intra-subject variability (ISV) in reaction times (RTs) is a promising endophenotype for attention-deficit hyperactivity disorder (ADHD) and among the most robust hallmarks of the disorder. ISV has been assumed to represent an attentional deficit, either reflecting lapses in attention or increased neural noise. Here, we use an innovative single-trial event-related potential approach to assess whether the increased ISV associated with ADHD is indeed attributable to attention, or whether it is related to response-related processing. We measured electroencephalographic responses to working memory oddball tasks in patients with ADHD (N = 20, aged 11.3 ± 1.1) and healthy controls (N = 25, aged 11.7 ± 1.1), and analysed these data with a recently developed method of single-trial event-related potential analysis. Estimates of component latency variability were computed for the stimulus-locked and response-locked forms of the P3b and the lateralised readiness potential (LRP). ADHD patients showed significantly increased ISV in behavioural ISV. This increased ISV was paralleled by an increase in variability in response-locked event-related potential latencies, while variability in stimulus-locked latencies was equivalent between groups. This result held across the P3b and LRP. Latency of all components predicted RTs on a single-trial basis, confirming that all were relevant for speed of processing. These data suggest that the increased ISV found in ADHD could be associated with response-end, rather than stimulus-end processes, in contrast to prevailing conceptions about the endophenotype. This mental chronometric approach may also be useful for exploring whether the existing lack of specificity of ISV to particular psychiatric conditions can be improved upon. © 2014 Association for Child and Adolescent Mental Health.

  17. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    2010-01-01

    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...

  18. Coordinating Transit Transfers in Real Time

    Science.gov (United States)

    2016-05-06

    Transfers are a major source of travel time variability for transit passengers. Coordinating transfers between transit routes in real time can reduce passenger waiting times and travel time variability, but these benefits need to be contrasted with t...

  19. Modeling Coordination Problems in a Music Ensemble

    DEFF Research Database (Denmark)

    Frimodt-Møller, Søren R.

    2008-01-01

    This paper considers in general terms, how musicians are able to coordinate through rational choices in a situation of (temporary) doubt in an ensemble performance. A fictitious example involving a 5-bar development in an unknown piece of music is analyzed in terms of epistemic logic, more...... to coordinate. Such coordination can be described in terms of Michael Bacharach's theory of variable frames as an aid to solve game theoretic coordination problems....

  20. Probing the influence of the center atom coordination structure in iron phthalocyanine multi-walled carbon nanotube-based oxygen reduction reaction catalysts by X-ray absorption fine structure spectroscopy

    Science.gov (United States)

    Peng, Yingxiang; Li, Zhipan; Xia, Dingguo; Zheng, Lirong; Liao, Yi; Li, Kai; Zuo, Xia

    2015-09-01

    Three different pentacoordinate iron phthalocyanine (FePc) electrocatalysts with an axial ligand (pyridyl group, Py) anchored to multi-walled carbon nanotubes (MWCNTs) are prepared by a microwave method as high performance composite electrocatalysts (FePc-Py/MWCNTs) for the oxygen reduction reaction (ORR). For comparison, tetracoordinate FePc electrocatalysts without an axial ligand anchored to MWCNTs (FePc/MWCNTs) are assembled in the same way. Ultraviolet-visible spectrophotometry (UV-Vis), Raman spectroscopy (RS), and high-resolution transmission electron microscopy (HRTEM) are used to characterize the obtained electrocatalysts. The electrocatalytic activity of the samples is measured by linear sweep voltammetry (LSV), and the onset potential of all of the FePc-Py/MWCNTs electrocatalysts is found to be more positive than that of their FePc/MWCNTs counterparts. X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) spectroscopy are employed to elucidate the relationship between molecular structure and electrocatalytic activity. XPS indicates that higher concentrations of Fe3+ and pyridine-type nitrogen play critical roles in determining the electrocatalytic ORR activity of the samples. XAFS spectroscopy reveals that the FePc-Py/MWCNTs electrocatalysts have a coordination geometry around Fe that is closer to the square pyramidal structure, a higher concentration of Fe3+, and a smaller phthalocyanine ring radius compared with those of FePc/MWCNTs.

  1. Path integrals in curvilinear coordinates

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1984-01-01

    Integration limits are studied for presenting the path integral curvilinear coordinates. For spherical (and topoloqically equivalent) coordinates it is shown that in formulas involving classical action in the exponent integration over all variables should be carried out within infinite limits. Another peculiarity is associated with appearance of the operator q which provides a complete definition of the wave functions out of the physical region. arguments are given upporting the validity of the cited statament in the general case

  2. RUN COORDINATION

    CERN Multimedia

    Christophe Delaere

    2013-01-01

    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...

  3. RUN COORDINATION

    CERN Multimedia

    C. Delaere

    2013-01-01

    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...

  4. Functional coordination polymers and MOFs from reactions of the lanthanides and barium with azole ligands. Synthesis and characterization with a focus on structure determination from X-ray powder diffraction data

    International Nuclear Information System (INIS)

    Rybak, Jens-Christoph

    2012-01-01

    This thesis deals with the synthesis and characterization of coordination polymers and MOFs of the lanthanides and barium with different azolic N-heterocycles. A total of 18 new organic-inorganic hybrid materials, as well as a series of co-doped compounds is presented. Besides the structural characterization of these materials from X-ray diffraction powder data, the focus of the investigations is on the thermal and photoluminescence spectroscopic properties. The lanthanides La - Lu, except Eu and Pm, can be reacted with 1H-1,2,3-triazole to give the series of the isotypic dense 3D-MOFs 3 ∞ [Ln(Tz * ) 3 ]. Investigation of the photoluminescence properties of these compounds reveals a broad range of different luminescence phenomena, including the first observation of an intrinsic inner-filter effect of the Ln 3+ -ions. The structure of this isotypic series of compounds was solved and refined from X-ray powder diffraction data. A 2D-polymorph of these compounds 2 ∞ [Ln(Tz * ) 3 ], is observed for Ln = Sm, Tb and was characterized by single crystal data. The reaction of Eu with 1H-benzotriazole yields the 1D-coordination polymer 1 ∞ [Eu(Btz) 2 (BtzH) 2 ], which is the first example of a divalent rare earth benzotriazolate. Analysis of the thermal properties reveals the transformation to the 3D-MOF 3 ∞ [Eu(Btz) 2 ] at higher temperatures. The structure of this material was also solved from X-ray powder diffraction data. Investigation of the photoluminescence properties of the co-doped compounds 3 ∞ [Ba 1-x Eu x (Im) 2 ], which were obtained from reaction of the salt-like hydrides BaH 2 and EuH 2 with imidazole, show that the synthesis of luminescent MOF materials by co-doping of non-luminescent networks with luminescence centers is possible. The structure of these materials was solved from X-ray powder diffraction data of the undoped compound 3 ∞ [BaEu(Im) 2 ]. Structural characterization of materials from X-ray powder diffraction data is an important aspect

  5. UV, X-ray, and Optical Variability of the Young Star T Cha Produced by Inner Disk Obscuration: Results from a Coordinated HST, XMM-Newton, LCOGT, and SMARTS Observing Campaign

    Science.gov (United States)

    Brown, Alexander; France, Kevin; Walter, Frederick M.; Schneider, P. Christian; Brown, Timothy M.; Andrews, Sean M.; Wilner, David J.

    2018-06-01

    The young (7 Myr) 1.5 solar mass T Tauri star T Chamaeleontis shows dramatic variability. The optical extinction varies by at least 3 magnitudes on few hour time-scales with no obvious periodicity. The obscuration is produced by material at the inner edge of the circumstellar disk and therefore characterizing the absorbing material can reveal important clues regarding the transport of gas and dust within such disks. The inner disk of T Cha is particularly interesting, because T Cha has a transitional disk with a large gap at 0.2-15 AU in the dust disk and allows study of the gas and dust structure in the terrestrial planet formation zone during this important rapid phase of protoplanetary disk evolution. For this reason we have conducted a major multi-spectral-region observing campaign to study the UV/X-ray/optical variability of T Cha. During 2018 February/March we monitored the optical photometric and spectral variability using LCOGT (Chile/South Africa/Australia) and the SMARTS telescopes in Chile. These optical data provide a broad context within which to interpret our shorter UV and X-ray observations. We observed T Cha during 3 coordinated observations (each 5 HST orbits + 25 ksec XMM; on 2018 Feb 22, Feb 26, Mar 2) using the HST COS/STIS spectrographs to measure the FUV/NUV spectra and XMM-Newton to measure the corresponding X-ray energy distribution. The observed spectral changes are well correlated and demonstrate the influence of the same absorbing material in all the spectral regions observed. By examining which spectral features change and by how much we can determine the location of different emitting regions relative to the absorbers along the line-of-sight to the star. In this poster we provide an overview of the variability seen in the different spectral regions and quantify the dust and gas content of T Cha's inner disk edge.(This work is supported by grant HST-GO-15128 and time awarded by HST, XMM-Newton, LCOGT, and SMARTS. We acknowledge the

  6. Method and device for thermal control of biological and chemical reactions using magnetic particles or magnetic beads and variable magnetic fields

    OpenAIRE

    Zilch, C.; Gerdes, W.; Bauer, J.; Holschuh, K.

    2009-01-01

    The invention relates to a method for the thermal control of at least one temperature-dependent enzymatic reaction in the presence of magnetic particles, particularly nanoparticles, or magnetic beads, in vitro by heating the magnetic beads or magnetic particles to at least one defined target temperature using alternating magnetic fields. The thermally controllable enzymatic reaction carried out with the method according to the invention is preferably a PCR reaction or another reaction for elo...

  7. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball and W. Zeuner

    2011-01-01

    In this report we will review the main achievements of the Technical Stop and the progress of several centrally-managed projects to support CMS operation and maintenance and prepare the way for upgrades. Overview of the extended Technical Stop  The principal objectives of the extended Technical Stop affecting the detector itself were the installation of the TOTEM T1 telescopes on both ends, the readjustment of the alignment link-disk in YE-2, the replacement of the light-guide sleeves for all PMs of both HFs, and some repairs on TOTEM T2 and CASTOR. The most significant tasks were, however, concentrated on the supporting infrastructure. A detailed line-by-line leak search was performed in the C6F14 cooling system of the Tracker, followed by the installation of variable-frequency drives on the pump motors of the SS1 and SS2 tracker cooling plants to reduce pressure transients during start-up. In the electrical system, larger harmonic filters were installed in ...

  8. On superfield covariant quantization in general coordinates

    International Nuclear Information System (INIS)

    Gitman, D.M.; Moshin, P. Yu.; Tomazelli, J.L.

    2005-01-01

    We propose a natural extension of the BRST-antiBRST superfield covariant scheme in general coordinates. Thus, the coordinate dependence of the basic tensor fields and scalar density of the formalism is extended from the base supermanifold to the complete set of superfield variables. (orig.)

  9. On superfield covariant quantization in general coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Gitman, D.M. [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo, S.P (Brazil); Moshin, P. Yu. [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo, S.P (Brazil); Tomsk State Pedagogical University, Tomsk (Russian Federation); Tomazelli, J.L. [UNESP, Departamento de Fisica e Quimica, Campus de Guaratingueta (Brazil)

    2005-12-01

    We propose a natural extension of the BRST-antiBRST superfield covariant scheme in general coordinates. Thus, the coordinate dependence of the basic tensor fields and scalar density of the formalism is extended from the base supermanifold to the complete set of superfield variables. (orig.)

  10. Coordination chemistry of technetium as related to nuclear medicine

    International Nuclear Information System (INIS)

    Srivastava, S.C.; Richards, P.

    1982-01-01

    Significant advances have been made in the area of technetium coordination chemistry during the last five years. The main driving force behind this recent surge of interest in the field has been due to the practical application of technetium-99m in the rapidly growing speciality of nuclear medicine. Technetium-99 is one of the products of nuclear fission reactions, but it was the development of the molybdenum-99-technetium-99m generator about two decades ago that provided the basis for the development of radiopharmaceuticals routinely used in modern diagnostic applications. The chemistry of this element has proven to be quite rich owing to its multiple oxidation states and variable geometry. This can be attributed to its position in the middle of the periodic table. Diagnostic radiopharmaceuticals comprise predominantly III, IV and V oxidation states of Tc and involve a variety of coordination complexes. Even though the chemistry of Tc has been slow to evolve, recent synthetic advances have provided a more scientific basis for the study of a number of compounds with diverse coordination geometries and structures. Ligands with oxygen, nitrogen and sulfur donor atoms have been utilized to elucidate various aspects of the coordination chemistry of Tc. Single crystal X-ray structural analysis has been extensively used to characterize Tc complexes and thus construct a firm foundation for the study of synthetic and mechanistic aspects of the chemistry of this element. (author)

  11. Superfield extended BRST quantization in general coordinates

    OpenAIRE

    Geyer, B.; Gitman, D. M.; Lavrov, P. M.; Moshin, P. Yu.

    2003-01-01

    We propose a superfield formalism of Lagrangian BRST-antiBRST quantization of arbitrary gauge theories in general coordinates with the base manifold of fields and antifields desribed in terms of both bosonic and fermionic variables.

  12. Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

    International Nuclear Information System (INIS)

    Yanao, Tomohiro; Takatsuka, Kazuo

    2003-01-01

    Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics

  13. Compilation and evaluation of high energy γ-ray standards from nuclear reactions. Work performed under the coordinated research project 'Update of X- and γ-ray decay data standards for detector calibration'

    International Nuclear Information System (INIS)

    Marcinkowski, A.; Marianski, B.

    1999-02-01

    The report presents the following aspects needed for the compilation and evaluation of high energy γ-ray standards from nuclear reactions: evaluation of emission probabilities of γ-rays with energies 4.44 MeV and 15.11 MeV from 12 C * , preparation of the list of reactions suitable for production of the above mentioned excited radionuclide, and compilation and evaluation of cross sections for these reactions, including inelastic proton scattering on 12 C and radiative capture on 11 B

  14. Temporal Coordination and Adaptation to Rate Change in Music Performance

    Science.gov (United States)

    Loehr, Janeen D.; Large, Edward W.; Palmer, Caroline

    2011-01-01

    People often coordinate their actions with sequences that exhibit temporal variability and unfold at multiple periodicities. We compared oscillator- and timekeeper-based accounts of temporal coordination by examining musicians' coordination of rhythmic musical sequences with a metronome that gradually changed rate at the end of a musical phrase…

  15. cultural differences in coordination decisions within interdependent security context

    OpenAIRE

    ju, linlin

    2009-01-01

    Abstract The purpose of this study is to investigate cultural differences in coordination decisions in a coordination game with considering IDS context. IDS context is introduced into a coordination game since it recently draws more and more people’s attention. The concepts of individualism/collectivism as the key aspects of culture variability are introduced into the cultural differences study. It is assumed that Chinese people are more collectivistic and more likely to coordinate each ot...

  16. Reaction mechanisms of metal complexes

    CERN Document Server

    Hay, R W

    2000-01-01

    This text provides a general background as a course module in the area of inorganic reaction mechanisms, suitable for advanced undergraduate and postgraduate study and/or research. The topic has important research applications in the metallurgical industry and is of interest in the science of biochemistry, biology, organic, inorganic and bioinorganic chemistry. In addition to coverage of substitution reactions in four-, five- and six-coordinate complexes, the book contains further chapters devoted to isomerization and racemization reactions, to the general field of redox reactions, and to the reactions of coordinated ligands. It is relevant in other fields such as organic, bioinorganic and biological chemistry, providing a bridge to organic reaction mechanisms. The book also contains a chapter on the kinetic background to the subject with many illustrative examples which should prove useful to those beginning research. Provides a general background as a course module in the area of inorganic reaction mechanis...

  17. Introduction to chemical reaction engineering

    International Nuclear Information System (INIS)

    Kim, Yeong Geol

    1990-10-01

    This deals with chemical reaction engineering with thirteen chapters. The contents of this book are introduction on reaction engineering, chemical kinetics, thermodynamics and chemical reaction, abnormal reactor, non-isothermal reactor, nonideal reactor, catalysis in nonuniform system, diffusion and reaction in porosity catalyst, design catalyst heterogeneous reactor in solid bed, a high molecule polymerization, bio reaction engineering, reaction engineering in material process, control multi-variable reactor process using digital computer.

  18. Explicitly computing geodetic coordinates from Cartesian coordinates

    Science.gov (United States)

    Zeng, Huaien

    2013-04-01

    This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

  19. Estimating the cost of mental loading in a bimodal divided-attention task: Combining reaction time, heart-rate variability and signal-detection theory

    Science.gov (United States)

    Casper, Patricia A.; Kantowitz, Barry H.

    1988-01-01

    Multiple approaches are necessary for understanding and measuring workload. In particular, physiological systems identifiable by employing cardiac measures are related to cognitive systems. One issue of debate in measuring cardiac output is the grain of analysis used in recording and summarizing data. Various experiments are reviewed, the majority of which were directed at supporting or contradicting Lacey's intake-rejection hypothesis. Two of the experiments observed heart rate in operational environments and found virtually no changes associated with mental load. The major problems facing researchers using heart rate variability, or sinus arrhthmia, as a dependent measure have been associated with valid and sensitive scoring and preventing contamination of observed results by influences unrelated to cognition. Spectral analysis of heart rate variability offers two useful procedures: analysis from the time domain and analysis from the frequency domain. Most recently, data have been collected in a divided attention experiment, the performance measures and cardiac measures of which are detailed.

  20. Interobserver variability and feasibility of polymerase chain reaction-based assay in distinguishing ischemic colitis from Clostridium difficile colitis in endoscopic mucosal biopsies.

    Science.gov (United States)

    Wiland, Homer O; Procop, Gary W; Goldblum, John R; Tuohy, Marion; Rybicki, Lisa; Patil, Deepa T

    2013-06-01

    Polymerase chain reaction (PCR)-based assays using stool samples are currently the most effective method of detecting Clostridium difficile. This study examines the feasibility of this assay using mucosal biopsy samples and evaluates the interobserver reproducibility in diagnosing and distinguishing ischemic colitis from C difficile colitis. Thirty-eight biopsy specimens were reviewed and classified by 3 observers into C difficile and ischemic colitis. The findings were correlated with clinical data. PCR was performed on 34 cases using BD GeneOhm C difficile assay. The histologic interobserver agreement was excellent (κ= 0.86) and the agreement between histologic and clinical diagnosis was good (κ = 0.84). All 19 ischemic colitis cases tested negative (100% specificity) and 3 of 15 cases of C difficile colitis tested positive (20% sensitivity). C difficile colitis can be reliably distinguished from ischemic colitis using histologic criteria. The C difficile PCR test on endoscopic biopsy specimens has excellent specificity but limited sensitivity.

  1. Mechanism of the reaction catalyzed by dihydrofolate reductase from Escherichia coli: pH and deuterium isotope effects with NADPH as the variable substrate

    International Nuclear Information System (INIS)

    Morrison, J.F.; Stone, S.R.

    1988-01-01

    The variations with pH of the kinetic parameters and primary deuterium isotope effects for the reaction of NADPH with dihydrofolate reductase from Escherichia coli have been determined. The aims of the investigations were to elucidate the chemical mechanism of the reaction and to obtain information about the location of the rate-limiting steps. The V and V/K/sub NADPH/ profiles indicate that a single ionizing group at the active center of the enzyme must be protonated for catalysis, whereas the K/sub i/ profiles show that the binding of NADPH to the free enzyme and of ATP-ribose to the enzyme-dihydrofolate complex is pH independent. From the results of deuterium isotope effects on V/K/sub NADPH/, it is concluded that NADPH behaves as a sticky substrate. It is this stickiness that raises artificially the intrinsic pK value of 6.4 for the Asp-27 residue of the enzyme-dihydrofolate complex to an observed value of 8.9. Thus, the binary enzyme complex is largely protonated at neutral pH. The elevation of the intrinsic pK value of 6.4 for the ternary enzyme-NADPH-dihydrofolate complex to 8.5 is not due to the kinetic effects of substrates. Rather, it is the consequence of the lower, pH-independent rate of product release and the faster pH-dependent catalytic step. The data for deuterium isotope and deuterium solvent isotope effects are consistent with the postulate that, for the reduction of dihydrofolate to tetrahydrofolate, protonation precedes hydride transfer. A scheme is proposed for the indirect transfer of a proton from the enzyme to dihydrofolate

  2. The curvature coordinate system

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2007-01-01

    The paper describes a concept for a curvature coordinate system on regular curved surfaces from which faceted surfaces with plane quadrangular facets can be designed. The lines of curvature are used as parametric lines for the curvature coordinate system on the surface. A new conjugate set of lin...

  3. Effects of stellate ganglion block on cardiovascular reaction and heart rate variability in elderly patients during anesthesia induction and endotracheal intubation.

    Science.gov (United States)

    Chen, Yong-Quan; Jin, Xiao-Ju; Liu, Zhao-Fang; Zhu, Mei-Fang

    2015-03-01

    To investigate the effects of stellate ganglion block (SGB) on cardiovascular response and heart rate (HR) variability in elderly patients during anesthesia induction and endotracheal intubation. A randomized, double-blinded, and placebo-controlled study. University-affiliated teaching hospital. Eighty elderly patients (American Society of Anesthesiologists grades I and II) receiving elective surgery during general anesthesia. Right stellate ganglion injection (SGB) was performed in all patients using 10 mL of 1% lidocaine or normal saline. Systolic blood pressure (BP), diastolic BP, HR, and calculated rate pressure product. HR variability at the following time points: conscious status before induction (T0); immediately before intubation (T1); immediately after intubation (T2); and 1, 3, and 5 minutes postintubation (T3, T4, and T5). No significant differences in BP and HR were observed between the 2 groups. Rate pressure product values significantly increased in the control group compared with baseline and SGB group values. Low-frequency power (LF) and LF/high-frequency power (HF) significantly increased, and HF and normalized units of HF significantly decreased in the control group compared with baseline values. LF, normalized units of LF, and LF/HF in the SGB group significantly decreased compared with those of the control group. SGB protects the myocardium and effectively suppresses stress responses during anesthesia induction and tracheal intubation in elderly patients. Copyright © 2014 Elsevier Inc. All rights reserved.

  4. Coordinate measuring machines

    DEFF Research Database (Denmark)

    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) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......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...

  5. Thermophoresis and chemical reaction effects on non-Darcy mixed convective heat and mass transfer past a porous wedge with variable viscosity in the presence of suction or injection

    International Nuclear Information System (INIS)

    Kandasamy, R.; Muhaimin; Hashim, I.; Ruhaila

    2008-01-01

    The effects of variable viscosity, thermophoresis and non-Darcy mixed convection flow with heat and mass transfer over a porous wedge are presented here, taking into account the homogeneous chemical reaction of first order. The fluid viscosity is assumed to vary as an inverse linear function of temperature. Favorable comparison with previously published work is performed. The governing fundamental equations are approximated by a system of nonlinear ordinary differential equations and are solved numerically by using the Runge Kutta Gill and shooting methods. The steady-state velocity, temperature and concentration profiles are shown graphically. It is observed that due to the presence of first-order chemical reaction the concentration decreases with increasing values of the chemical reaction parameter. The results also showed that the particle deposition rates were strongly influenced by thermophoresis and buoyancy force, particularly for opposing flow and hot surfaces. Numerical results for the skin-friction coefficient, wall heat and mass transfer are obtained and reported graphically for various parametric conditions to show interesting aspects of the solution

  6. Non-traditional Oxidants in Preparative Coordination Chemistry

    Science.gov (United States)

    Kukushkin, Vadim Yu; Kukushkin, Yurii N.

    1986-10-01

    The application of nitrosonium and arenediazonium salts, carbenium, silver(I), and mercury(II) ions, protic acids, and amine oxides as oxidants in preparative coordination chemistry is examined. Specific examples illustrate which problems in the field of the synthesis and reactions of coordination compounds can be solved with the aid of these oxidants. The bibliography includes 158 references.

  7. Reaction of cyanide with cytochrome ba3 from Thermus thermophilus: spectroscopic characterization of the Fe(II)a3-CN.Cu(II)B-CN complex suggests four 14N atoms are coordinated to CuB.

    Science.gov (United States)

    Surerus, K K; Oertling, W A; Fan, C; Gurbiel, R J; Einarsdóttir, O; Antholine, W E; Dyer, R B; Hoffman, B M; Woodruff, W H; Fee, J A

    1992-01-01

    Cytochrome ba3 from Thermus thermophilus reacts slowly with excess HCN at pH 7.4 to create a form of the enzyme in which CuA, cytochrome b, and CuB remain oxidized, while cytochrome a3 is reduced by one electron, presumably with the formation of cyanogen. We have examined this form of the enzyme by UV-visible, resonance Raman, EPR, and electron nuclear double resonance spectroscopies in conjunction with permutations of 13C- and 15N-labeled cyanide. The results support a model in which one CN- binds through the carbon atom to ferrous a3, supporting a low-spin (S = 0) configuration on the Fe; bridging by this cyanide to the CuB is weak or absent. Four 14N atoms, presumably donated by histidine residues of the protein, provide a strong equatorial ligand field about CuB; a second CN- is coordinated through the carbon atom to CuB in an axial position. PMID:1314380

  8. Correlation of prostaglandin E2 concentrations in synovial fluid with ground reaction forces and clinical variables for pain or inflammation in dogs with osteoarthritis induced by transection of the cranial cruciate ligament.

    Science.gov (United States)

    Trumble, Troy N; Billinghurst, R Clark; McIlwraith, C Wayne

    2004-09-01

    To evaluate the temporal pattern of prostaglandin (PG) E2 concentrations in synovial fluid after transection of the cranial cruciate ligament (CCL) in dogs and to correlate PGE2 concentrations with ground reaction forces and subjective clinical variables for lameness or pain. 19 purpose-bred adult male Walker Hounds. Force plate measurements, subjective clinical analysis of pain or lameness, and samples of synovial fluid were obtained before (baseline) and at various time points after arthroscopic transection of the right CCL. Concentrations of PGE2 were measured in synovial fluid samples, and the PGE2 concentrations were correlated with ground reaction forces and clinical variables. The PGE2 concentration increased significantly above the baseline value throughout the entire study, peaking 14 days after transection. Peak vertical force and vertical impulse significantly decreased by day 14 after transection, followed by an increase over time without returning to baseline values. All clinical variables (eg, lameness, degree of weight bearing, joint extension, cumulative pain score, effusion score, and total protein content of synovial fluid, except for WBC count in synovial fluid) increased significantly above baseline values. Significant negative correlations were detected between PGE2 concentrations and peak vertical force (r, -0.5720) and vertical impulse (r, -0.4618), and significant positive correlations were detected between PGE2 concentrations and the subjective lameness score (r, 0.5016) and effusion score (r, 0.6817). Assessment of the acute inflammatory process by measurement of PGE2 concentrations in synovial fluid may be correlated with the amount of pain or lameness in dogs.

  9. Detection of feline coronavirus in cheetah (Acinonyx jubatus) feces by reverse transcription-nested polymerase chain reaction in cheetahs with variable frequency of viral shedding.

    Science.gov (United States)

    Gaffney, Patricia M; Kennedy, Melissa; Terio, Karen; Gardner, Ian; Lothamer, Chad; Coleman, Kathleen; Munson, Linda

    2012-12-01

    Cheetahs (Acinonyx jubatus) are a highly threatened species because of habitat loss, human conflict, and high prevalence of disease in captivity. An epidemic of feline infectious peritonitis and concern for spread of infectious disease resulted in decreased movement of cheetahs between U.S. zoological facilities for managed captive breeding. Identifying the true feline coronavirus (FCoV) infection status of cheetahs is challenging because of inconsistent correlation between seropositivity and fecal viral shedding. Because the pattern of fecal shedding of FCoV is unknown in cheetahs, this study aimed to assess the frequency of detectable fecal viral shedding in a 30-day period and to determine the most efficient fecal sampling strategy to identify cheetahs shedding FCoV. Fecal samples were collected from 16 cheetahs housed at seven zoological facilities for 30 to 46 consecutive days; the samples were evaluated for the presence of FCoV by reverse transcription-nested polymerase chain reaction (RT-nPCR). Forty-four percent (7/16) of cheetahs had detectable FCoV in feces, and the proportion of positive samples for individual animals ranged from 13 to 93%. Cheetahs shed virus persistently, intermittently, or rarely over 30-46 days. Fecal RT-nPCR results were used to calculate the probability of correctly identifying a cheetah known to shed virus given multiple hypothetical fecal collection schedules. The most efficient hypothetical fecal sample collection schedule was evaluation of five individual consecutive fecal samples, resulting in a 90% probability of identifying a known shedder. Demographic and management risk factors were not significantly associated (P cheetahs shed virus intermittently to rarely, fecal sampling schedules meant to identify all known shedders would be impractical with current tests and eradication of virus from the population unreasonable. Managing the captive population as endemically infected with FCoV may be a more feasible approach.

  10. Regional transit coordination guidebook.

    Science.gov (United States)

    2009-01-01

    Constant growth in rural areas and extensive suburban development have contributed to increasingly more people needing seamless and adequate public transportation into and from nearby cities. Coordinating existing services or determining the need for...

  11. Supercritical Airfoil Coordinates

    Data.gov (United States)

    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...

  12. Developmental coordination disorder

    Science.gov (United States)

    Developmental coordination disorder can lead to: Learning problems Low self-esteem resulting from poor ability at sports and teasing by other children Repeated injuries Weight gain as a result of not wanting to participate ...

  13. Environmental Compliance Issue Coordination

    Science.gov (United States)

    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

  14. Data Management Coordinators (DMC)

    Science.gov (United States)

    The Regional Data Management Coordinators (DMCs) were identified to serve as the primary contact for each region for all Water Quality Framework activities. They will facilitate and communicate information to the necessary individuals at the region and tra

  15. Coordinating Work with Groupware

    DEFF Research Database (Denmark)

    Pors, Jens Kaaber; Simonsen, Jesper

    2003-01-01

    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 inte....... Using the CSCW frame­work of coordination mechanisms, we have elicited six general factors influencing the integration of the groupware application in two situations....

  16. Luminescent lanthanide coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

    1999-12-13

    One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

  17. Coordinate-invariant regularization

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1987-01-01

    A general phase-space framework for coordinate-invariant regularization is given. The development is geometric, with all regularization contained in regularized DeWitt Superstructures on field deformations. Parallel development of invariant coordinate-space regularization is obtained by regularized functional integration of the momenta. As representative examples of the general formulation, the regularized general non-linear sigma model and regularized quantum gravity are discussed. copyright 1987 Academic Press, Inc

  18. Magnetic Coordinate Systems

    Science.gov (United States)

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

    2017-03-01

    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.

  19. Polysulfide coordination clusters of the lanthanides

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ying-Zhao; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Konchenko, Sergey N. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation)

    2017-10-16

    The reaction of [(DippForm){sub 2}Ln(thf){sub 2}] with an excess of elemental sulfur in toluene resulted in the formation of the trinuclear polysulfide coordination clusters [(DippForm){sub 3}Ln{sub 3}S{sub 12}] (Ln=Sm, Yb; DippForm=N,N'-bis(2,6-diisopropylphenyl)formamidinate). These are the first f element coordination clusters (Ln{sub n}S{sub x}) with a larger polysulfide unit (n and x>2). The formation of the coordination clusters can be rationalized by the reductive cleavage of S{sub 8} with divalent lanthanides. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Science.gov (United States)

    Thomas, Nicholas C.; And Others

    1989-01-01

    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)

  1. [Binocular coordination during reading].

    Science.gov (United States)

    Bassou, L; Granié, M; Pugh, A K; Morucci, J P

    1992-01-01

    Is there an effect on binocular coordination during reading of oculomotor imbalance (heterophoria, strabismus and inadequate convergence) and of functional lateral characteristics (eye preference and perceptually privileged visual laterality)? Recordings of the binocular eye-movements of ten-year-old children show that oculomotor imbalances occur most often among children whose left visual perceptual channel is privileged, and that these subjects can present optomotor dissociation and manifest lack of motor coordination. Close binocular motor coordination is far from being the norm in reading. The faster reader displays saccades of differing spatial amplitude and the slower reader an oculomotor hyperactivity, especially during fixations. The recording of binocular movements in reading appears to be an excellent means of diagnosing difficulties related to visual laterality and to problems associated with oculomotor imbalance.

  2. Collective motion and the generator coordinate method

    International Nuclear Information System (INIS)

    Passos, E.J.V. de

    1981-01-01

    The generator coordinate method is used to construct a collective subspace of the many-body Hylbert space. The construction is based on the analysis of the properties of the overlaps of the generator states. Some well-known misbehaviours of the generator coordinate weight functions are clearly identified as of kinematical origin. A standard orthonormal representation in the collective subspace is introduced which eliminates them. It is also indicated how appropriate collective dynamical variables can be defined a posteriori. To illustrate the properties of the collective subspaces applications are made to a) translational invariant overlap kernels b) to one and two-conjugate parameter families of generator states. (Author) [pt

  3. Quantifying linguistic coordination

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    task (Bahrami et al 2010, Fusaroli et al. 2012) we extend to linguistic coordination dynamical measures of recurrence employed in the analysis of sensorimotor coordination (such as heart-rate (Konvalinka et al 2011), postural sway (Shockley 2005) and eye-movements (Dale, Richardson and Kirkham 2012......). 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...

  4. Dimensions of Organizational Coordination

    DEFF Research Database (Denmark)

    Jensen, Andreas Schmidt; Aldewereld, Huib; Dignum, Virginia

    2013-01-01

    be supported to include organizational objectives and constraints into their reasoning processes by considering two alternatives: agent reasoning and middleware regulation. We show how agents can use an organizational specification to achieve organizational objectives by delegating and coordinating...... their activities with other agents in the society, using the GOAL agent programming language and the OperA organizational model....

  5. Reusability of coordination programs

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1996-01-01

    textabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability, and reusability of parallel and/or distributed software. This can be achieved by moving communication primitives (such as SendMessage and

  6. [Civilian-military coordination].

    Science.gov (United States)

    de Montravel, G

    2002-01-01

    Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee.

  7. Coordination of hand shape.

    Science.gov (United States)

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-03-09

    The neural control of hand movement involves coordination of the sensory, motor, and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In the first experiment, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, and pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support, or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus, somatosensory and motor information appear to be coordinated in an object-based, spatial-coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness.

  8. Block coordination copolymers

    Science.gov (United States)

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

    2012-11-13

    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.

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

    DEFF Research Database (Denmark)

    McGinley, John; McKee, Vickie; Toftlund, Hans

    2009-01-01

    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...... to the metal in either a 1:1 or a 1:2 metal:ligand mode. Furthermore, the role of solvent plays an important role in these complexation reactions with both four and six coordinate copper complexes being obtained using water as solvent but only six coordinate copper complexes obtained using acetonitrile...

  10. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

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

    2012-01-01

    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....

  11. Impaired Visual Motor Coordination in Obese Adults.

    LENUS (Irish Health Repository)

    Gaul, David

    2016-09-01

    Objective. To investigate whether obesity alters the sensory motor integration process and movement outcome during a visual rhythmic coordination task. Methods. 88 participants (44 obese and 44 matched control) sat on a chair equipped with a wrist pendulum oscillating in the sagittal plane. The task was to swing the pendulum in synchrony with a moving visual stimulus displayed on a screen. Results. Obese participants demonstrated significantly (p < 0.01) higher values for continuous relative phase (CRP) indicating poorer level of coordination, increased movement variability (p < 0.05), and a larger amplitude (p < 0.05) than their healthy weight counterparts. Conclusion. These results highlight the existence of visual sensory integration deficiencies for obese participants. The obese group have greater difficulty in synchronizing their movement with a visual stimulus. Considering that visual motor coordination is an essential component of many activities of daily living, any impairment could significantly affect quality of life.

  12. Strained coordinate methods in rotating stars. II

    International Nuclear Information System (INIS)

    Smith, B.L.

    1977-01-01

    It was shown in a previous paper (Smith, 1976) that the method of strained coordinates may be usefully employed in the determination of the structure of rotating polytropes. In the present work this idea is extended to Main-Sequence stars with conservative centrifugal fields. The structure variables, pressure, density and temperature are considered pure functions of an auxiliary coordinate s (the strained coordinate) and the governing equations written in a form that closely resembles the structure equations for spherical stars but with the correction factors that are functions of s. A systematic, order-by-order derivation of these factors is outlined and applied in detail to a Cowling-model star in uniform rotation. The techniques can be extended beyond first order and external boundary conditions are applied, as they should be, at the true surface of the star. Roche approximations are not needed. (Auth.)

  13. Destruction of microcystins (cyanotoxins) by UV-254 nm-based direct photolysis and advanced oxidation processes (AOPs): influence of variable amino acids on the degradation kinetics and reaction mechanisms.

    Science.gov (United States)

    He, Xuexiang; de la Cruz, Armah A; Hiskia, Anastasia; Kaloudis, Triantafyllos; O'Shea, Kevin; Dionysiou, Dionysios D

    2015-05-01

    Hepatotoxic microcystins (MCs) are the most frequently detected group of cyanobacterial toxins. This study investigated the degradation of common MC variants in water, MC-LR, MC-RR, MC-YR and MC-LA, by UV-254 nm-based processes, UV only, UV/H2O2, UV/S2O8(2-) and UV/HSO5(-). Limited direct photolysis of MCs was observed, while the addition of an oxidant significantly improved the degradation efficiency with an order of UV/S2O8(2-) > UV/HSO5(-) > UV/H2O2 at the same initial molar concentration of the oxidant. The removal of MC-LR by UV/H2O2 appeared to be faster than another cyanotoxin, cylindrospermopsin, at either the same initial molar concentration or the same initial organic carbon concentration of the toxin. It suggested a faster reaction of MC-LR with hydroxyl radical, which was further supported by the determined second-order rate constant of MCs with hydroxyl radical. Both isomerization and photohydration byproducts were observed in UV only process for all four MCs; while in UV/H2O2, hydroxylation and diene-Adda double bond cleavage byproducts were detected. The presence of a tyrosine in the structure of MC-YR significantly promoted the formation of monohydroxylation byproduct m/z 1061; while the presence of a second arginine in MC-RR led to the elimination of a guanidine group and the absence of double bond cleavage byproducts. It was therefore demonstrated in this study that the variable amino acids in the structure of MCs influenced not only the degradation kinetics but also the preferable reaction mechanisms. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Nuclear reactions

    International Nuclear Information System (INIS)

    Lane, A.M.

    1980-01-01

    In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

  15. Coordination in vertical jumping

    NARCIS (Netherlands)

    Bobbert, Maarten F.; van Ingen Schenau, Gerrit Jan

    1988-01-01

    The present study was designed to investigate for vertical jumping the relationships between muscle actions, movement pattern and jumping achievement. Ten skilled jumpers performed jumps with preparatory countermovement. Ground reaction forces and cinematographic data were recorded. In addition,

  16. On the adsorption/reaction of acetone on pure and sulfate-modified zirconias.

    Science.gov (United States)

    Crocellà, Valentina; Cerrato, Giuseppina; Morterra, Claudio

    2013-08-28

    In situ FTIR spectroscopy was employed to investigate some aspects of the ambient temperature (actually, IR-beam temperature) adsorption of acetone on various pure and sulfate-doped zirconia specimens. Acetone uptake yields, on all examined systems and to a variable extent, different types of specific molecular adsorption, depending on the kind/population of available surface sites: relatively weak H-bonding interaction(s) with surface hydroxyls, medium-strong coordinative interaction with Lewis acidic sites, and strong H-bonding interaction with Brønsted acidic centres. Moreover acetone, readily and abundantly adsorbed in molecular form, is able to undergo the aldol condensation reaction (yielding, as the main reaction product, adsorbed mesityl oxide) only if the adsorbing material possesses some specific surface features. The occurrence/non-occurrence of the acetone self-condensation reaction is discussed, and leads to conclusions concerning the sites that catalyze the condensation reaction that do not agree with either of two conflicting interpretations present in the literature of acetone uptake/reaction on, mainly, zeolitic systems. In particular, what turns out to be actually necessary for the acetone aldol condensation reaction to occur on the examined zirconia systems is the presence of coordinatively unsaturated O(2-) surface sites of basicity sufficient to lead to the extraction of a proton from one of the CH3 groups of adsorbed acetone.

  17. Improving Project Manufacturing Coordination

    Directory of Open Access Journals (Sweden)

    Korpivaara Ville

    2014-09-01

    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.

  18. Universal mechatronics coordinator

    Science.gov (United States)

    Muir, Patrick F.

    1999-11-01

    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.

  19. Women's Experiences of Social Reactions From Informal and Formal Supports: Using a Modified Administration of the Social Reactions Questionnaire.

    Science.gov (United States)

    DePrince, Anne P; Dmitrieva, Julia; Gagnon, Kerry L; Srinivas, Tejaswinhi

    2017-11-01

    A growing literature links social reactions to disclosures of intimate violence to posttraumatic outcomes. The Social Reactions Questionnaire (SRQ), a widely used measure developed to assess social reactions, asks about reactions received from people generally. The ability to examine the impact of social reactions from specific groups of people-such as criminal justice personnel versus community-based providers-has become increasingly more important from both research and practice perspectives. For example, as sexual assault responses nationally have relied on community-coordinated models that involve both criminal justice and community-based systems, tools are lacking to systematically assess the impact of social reactions from criminal justice personnel and community-based providers on survivors. Using the SRQ, the current study asked women to report separately on reactions received from criminal justice personnel, community-based providers, and informal supports. We recruited a diverse community sample of women ( N = 228, ages 18-63, 19% lesbian/bisexual, 44% ethnic minority) who experienced a sexual assault in the previous year and disclosed to the criminal justice system and/or a community-based provider. Multilevel analyses revealed considerable variability in the social reactions reported by women across criminal justice personnel, community-based providers, and informal supports. Analyses supported a seven-factor structure for the SRQ when the measure is yoked to particular experiences of disclosure, in this case to criminal justice personnel, community-based providers, or informal supports. The utility of this modified administration and scoring of the SRQ and the importance of considering reactions across different groups are described.

  20. Selective amplification of T-cell receptor variable region species is demonstrable but not essential in early lesions of psoriasis vulgaris: analysis by anchored polymerase chain reaction and hypervariable region size spectratyping.

    Science.gov (United States)

    Vekony, M A; Holder, J E; Lee, A J; Horrocks, C; Eperon, I C; Camp, R D

    1997-07-01

    Several groups have investigated the role of T cells in the pathogenesis of psoriasis by determination of T-cell receptor (TCR) B-chain variable (V) region usage, both in chronic plaque (psoriasis vulgaris) and guttate forms, with various results. Because there are no data on TCR expression in early psoriasis vulgaris, when specific cellular immune events may be expected to be most pronounced, we have analyzed early lesions (less than 3 wk old) of ten patients, with highly reproducible results. We have developed a highly controlled anchored polymerase chain reaction (PCR) method in which TCR beta chain species are all amplified with the same primer pair and products are quantified by dot blot hybridization with BV family-specific oligonucleotide probes. Overexpression of certain TCR BV genes was observed in the majority of lesional biopsies, but in samples in which the expanded BV family formed more than 10% of total lesional BV (half of the samples analyzed), BV2 and BV6 predominated. The consistency of overexpression of these BV species between patients was much less than in previous studies of TCRBV usage in established chronic plaque psoriasis lesions. Complementarity-determining region 3 (CDR3) size spectratyping demonstrated evidence for selective clonal T cell accumulation in less than half of the lesional samples showing BV expansion. These results indicate that selective amplification of TCRBV species occurs in early psoriasis vulgaris but is not essential to the pathogenic process and may be more important in the maintenance or expansion of chronic lesions.

  1. The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

    Science.gov (United States)

    Flores, Patricio; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Silva, Eduardo; Toro-Labbé, Alejandro

    2007-11-01

    The electronic transfer that occurs during a chemical process is analysed in term of a new concept, the electronic flux, that allows characterizing the regions along the reaction coordinate where electron transfer is actually taking place. The electron flux is quantified through the variation of the electronic chemical potential with respect to the reaction coordinate and is used, together with the reaction force, to shed light on reaction mechanism of the Schiff base formation in the Maillard reaction. By partitioning the reaction coordinate in regions in which different process might be taking place, electronic reordering associated to polarization and transfer has been identified and found to be localized at specific transition state regions where most bond forming and breaking occur.

  2. Synthesis and reaction of [[HC(CMeNAr)2]Mn]2 (Ar = 2,6-iPr2C6H3): the complex containing three-coordinate manganese(I) with a Mn-Mn bond exhibiting unusual magnetic properties and electronic structure.

    Science.gov (United States)

    Chai, Jianfang; Zhu, Hongping; Stückl, A Claudia; Roesky, Herbert W; Magull, Jörg; Bencini, Alessandro; Caneschi, Andrea; Gatteschi, Dante

    2005-06-29

    This paper reports on the synthesis, X-ray structure, magnetic properties, and DFT calculations of [[HC(CMeNAr)2]Mn]2 (Ar = 2,6-iPr2C6H3) (2), the first complex with three-coordinate manganese(I). Reduction of the iodide [[HC(CMeNAr)2]Mn(mu-I)]2 (1) with Na/K in toluene afforded 2 as dark-red crystals. The molecule of 2 contains a Mn2(2+) core with a Mn-Mn bond. The magnetic investigations show a rare example of a high-spin manganese(I) complex with an antiferromagnetic interaction between the two Mn(I) centers. The DFT calculations indicate a strong s-s interaction of the two Mn(I) ions with the open shell configuration (3d54s1). This suggests that the magnetic behavior of 2 could be correctly described as the coupling between two S1 = S2 = 5/2 spin centers. The Mn-Mn bond energy is estimated at 44 kcal mol(-1) by first principle calculations with the B3LYP functional. The further oxidative reaction of 2 with KMnO4 or O2 resulted in the formation of manganese(III) oxide [[HC(CMeNAr)2]Mn(mu-O)]2 (3). Compound 3 shows an antiferromagnetic coupling between the two oxo-bridged manganese(III) centers by magnetic measurements.

  3. Coordinator, Translation Services | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Coordinator, Translation Services coordinates the overall operations of the ... services in IDRC by acting as the main resource person for internal clients ... all operational issues in order to ensure good quality products delivered on time.

  4. "Low-coordinate" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.

    Science.gov (United States)

    Kyri, A W; Gleim, F; García Alcaraz, A; Schnakenburg, G; Espinosa Ferao, A; Streubel, R

    2018-05-17

    While 1,2σ5λ5-oxaphosphetanes are well known intermediates from the Wittig-reaction, no 1,2σ3λ3-oxaphosphetanes have been described, so far. Herein, we present the first synthesis of 1,2σ3λ3-oxaphosphetanes derived from their κP-Mo(CO)5 complexes and first investigations towards metal coordination and P-oxidation. Bonding, ring strain energy and potential retro-[2+2] cycloaddition reactions of the 1,2-oxaphosphetane ring were studied by DFT methods.

  5. Recursive Advice for Coordination

    DEFF Research Database (Denmark)

    Terepeta, Michal Tomasz; Nielson, Hanne Riis; Nielson, Flemming

    2012-01-01

    Aspect-oriented programming is a programming paradigm that is often praised for the ability to create modular software and separate cross-cutting concerns. Recently aspects have been also considered in the context of coordination languages, offering similar advantages. However, introducing aspects...... challenging. This is important since ensuring that a system does not contain errors is often equivalent to proving that some states are not reachable. In this paper we show how to solve these challenges by applying a successful technique from the area of software model checking, namely communicating pushdown...

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

    Science.gov (United States)

    Vogt-Geisse, Stefan; Toro-Labbé, Alejandro

    2016-07-15

    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. © 2016 Wiley Periodicals, Inc.

  7. Variable Denticity in Carboxylate Binding to the Uranyl Coordination Complexes

    International Nuclear Information System (INIS)

    Groenewold, G.S.; De Jong, Wibe A.; Oomens, Jos; Van Stipdonk, Michael J.

    2010-01-01

    Tris-carboxylate complexes of the uranyl (UO2)2+ cation with acetate and benzoate were generated using electrospray ionization mass spectrometry, and then isolated in a Fourier transformion cyclotron resonance mass spectrometer. Wavelength-selective infrared multiple photon dissociation (IRMPD) of the tris-acetatouranyl anion resulted in a redox elimination of an acetate radical, which was used to generate an IR spectrum that consisted of six prominent absorption bands. These were interpreted with the aid of density functional theory calculations in terms of symmetric and antisymmetric -CO2 stretches of both the monodentate and bidentate acetate, CH3 bending and umbrella vibrations, and a uranyl O-U-O asymmetric stretch. The comparison of the calculated and measured IR spectra indicated that the tris-acetate complex contained two acetate ligands bound in a bidentate fashion, while the third acetate was monodentate. In similar fashion, the tris-benzoate uranyl anion was formed and photodissociated by loss of a benzoate radical, enabling measurement of the infrared spectrum that was in close agreement with that calculated for a structure containing one monodentate, and two bidentate benzoate ligands.

  8. Coordinating health care: lessons from Norway

    Directory of Open Access Journals (Sweden)

    Trond Tjerbo

    2005-11-01

    Full Text Available Objective: What influences the coordination of care between general practitioners and hospitals? In this paper, general practitioner satisfaction with hospital—GP interaction is revealed, and related to several background variables. Method: A questionnaire was sent to all general practitioners in Norway (3388, asking their opinion on the interaction and coordination of health care in their district. A second questionnaire was sent to all the somatic hospitals in Norway (59 regarding formal routines and structures. The results were analysed using ordinary least squares regression. Results: General practitioners tend to be less satisfied with the coordination of care when their primary hospital is large and cost-effective with a high share of elderly patients. Together with the degree to which the general practitioner is involved in arenas where hospital physicians and general practitioners interact, these factors turned out to be good predictors of general practitioner satisfaction. Implication: To improve coordination between general practitioners and specialists, one should focus upon the structural traits within the hospitals in different regions as well as creating common arenas where the physicians can interact.

  9. Field transformations, collective coordinates and BRST invariance

    International Nuclear Information System (INIS)

    Alfaro, J.; Damgaard, P.H.

    1989-12-01

    A very large class of general field transformations can be viewed as a field theory generalization of the method of collective coordinates. The introduction of new variables induces a gauge invariance in the transformed theory, and the freedom left in gauge fixing this new invariance can be used to find equivalent formulations of the same theory. First the Batalin-Fradkin-Vilkovisky formalism is applied to the Hamiltonian formulation of physical systems that can be described in terms of collective coordinates. We then show how this type of collective coordinate scheme can be generalized to field transformations, and discuss the War Identities of the associated BRST invariance. For Yang-Mills theory a connection to topological field theory and the background field method is explained in detail. In general the resulting BRST invariance we find hidden in any quantum field theory can be viewed as a consequence of our freedom in choosing a basis of coordinates φ(χ) in the action S[φ]. (orig.)

  10. Moving attractive virtual agent improves interpersonal coordination stability.

    Science.gov (United States)

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

    2015-06-01

    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. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Quasielastic reactions

    International Nuclear Information System (INIS)

    Henning, W.

    1979-01-01

    Quasielastic reaction studies, because of their capability to microscopically probe nuclear structure, are still of considerable interest in heavy-ion reactions. The recent progress in understanding various aspects of the reaction mechanism make this aim appear closer. The relation between microscopic and macroscopic behavior, as suggested, for example, by the single proton transfer data to individual final states or averaged excitation energy intervals, needs to be explored. It seems particularly useful to extend measurements to higher incident energies, to explore and understand nuclear structure aspects up to the limit of the energy range where they are important

  12. Network Coordinator Report

    Science.gov (United States)

    Himwich, Ed; Strand, Richard

    2013-01-01

    This report includes an assessment of the network performance in terms of lost observing time for the 2012 calendar year. Overall, the observing time loss was about 12.3%, which is in-line with previous years. A table of relative incidence of problems with various subsystems is presented. The most significant identified causes of loss were electronics rack problems (accounting for about 21.8% of losses), antenna reliability (18.1%), RFI (11.8%), and receiver problems (11.7%). About 14.2% of the losses occurred for unknown reasons. New antennas are under development in the USA, Germany, and Spain. There are plans for new telescopes in Norway and Sweden. Other activities of the Network Coordinator are summarized.

  13. Functional coordination polymers and MOFs from reactions of the lanthanides and barium with azole ligands. Synthesis and characterization with a focus on structure determination from X-ray powder diffraction data; Funktionale Koordinationspolymere und MOFs aus Reaktionen der Lanthanide und des Bariums mit Azol-Liganden. Synthese und Charakterisierung mit dem Fokus der Strukturbestimmung anhand von Roentgenpulverbeugungsdaten

    Energy Technology Data Exchange (ETDEWEB)

    Rybak, Jens-Christoph

    2012-07-01

    This thesis deals with the synthesis and characterization of coordination polymers and MOFs of the lanthanides and barium with different azolic N-heterocycles. A total of 18 new organic-inorganic hybrid materials, as well as a series of co-doped compounds is presented. Besides the structural characterization of these materials from X-ray diffraction powder data, the focus of the investigations is on the thermal and photoluminescence spectroscopic properties. The lanthanides La - Lu, except Eu and Pm, can be reacted with 1H-1,2,3-triazole to give the series of the isotypic dense 3D-MOFs {sup 3}{sub ∞}[Ln(Tz{sup *}){sub 3}]. Investigation of the photoluminescence properties of these compounds reveals a broad range of different luminescence phenomena, including the first observation of an intrinsic inner-filter effect of the Ln{sup 3+}-ions. The structure of this isotypic series of compounds was solved and refined from X-ray powder diffraction data. A 2D-polymorph of these compounds {sup 2}{sub ∞}[Ln(Tz{sup *}){sub 3}], is observed for Ln = Sm, Tb and was characterized by single crystal data. The reaction of Eu with 1H-benzotriazole yields the 1D-coordination polymer {sup 1}{sub ∞}[Eu(Btz){sub 2}(BtzH){sub 2}], which is the first example of a divalent rare earth benzotriazolate. Analysis of the thermal properties reveals the transformation to the 3D-MOF {sup 3}{sub ∞}[Eu(Btz){sub 2}] at higher temperatures. The structure of this material was also solved from X-ray powder diffraction data. Investigation of the photoluminescence properties of the co-doped compounds {sup 3}{sub ∞}[Ba{sub 1-x}Eu{sub x}(Im){sub 2}], which were obtained from reaction of the salt-like hydrides BaH{sub 2} and EuH{sub 2} with imidazole, show that the synthesis of luminescent MOF materials by co-doping of non-luminescent networks with luminescence centers is possible. The structure of these materials was solved from X-ray powder diffraction data of the undoped compound {sup 3}{sub

  14. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

    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

  15. Non-equilibrium statistical mechanical approach for describing heavy ion reactions

    International Nuclear Information System (INIS)

    Sventek, J.S.

    1979-01-01

    With the availability of heavy-ion projectiles (A > 4) at low to intermediate energies (4 < E/A < 10), products showing various stages of relaxation for certain macroscopic variables (center-of-mass energy, orbital angular momentum, etc.) were produced in various reactions. The distributions for these macroscopic variables showed a correlation between the stage of relaxation reached and the net amount of mass transfer which had occurred in the reaction. There was also evidence that there was an asymmetry in the number of net transfers necessary for complete relaxation between stripping ad pickup reactions. A model for describing the time-evolution of these reactions has been formulated, the keystone of which is a master-equation approach for describing the time-dependence of the mass-asymmetry. This, coupled with deterministic equations of motion for the other macroscopic coordinates in the reaction lead to calculated distributions which provide an excellent qualitative description of these reactions, and, in some cases, quantitatively reproduce the experimental data quite well

  16. cycloaddition reactions

    Indian Academy of Sciences (India)

    Unknown

    Molecular Modeling Group, Organic Chemical Sciences, Indian Institute of Chemical Technology,. Hyderabad ... thus obtained are helpful to model the regioselectivity ... compromise to model Diels–Alder reactions involving ...... acceptance.

  17. Double-double effect and coordination number

    International Nuclear Information System (INIS)

    Mioduski, T.

    1992-01-01

    The original method of interpretation together with its theoretical foundations is developed, making it possible to use location and direction of the double-double (tetrad) effect within the Ln and An series to determine the coordination number (CN) complexes of the f-block elements. The method is applied for potentiometric and radiometric equilibrium studies. It has been pointed and that the decisive factor for the direction of the double-double effect in the case of the Gibbs energy variations is a difference in the CN of the f-element ion between the reaction product complex and that for the reaction substrate the ''regular'' effect for a given tetrad is accompanied by decrease in the CN while the ''reverse'' effect by increase in the CN. (author). 122 refs, 5 tabs, 8 figs

  18. Robust Parameter Coordination for Multidisciplinary Design

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    This paper introduced a robust parameter coordination method to analyze parameter uncertainties so as to predict conflicts and coordinate parameters in multidisciplinary design. The proposed method is based on constraints network, which gives a formulated model to analyze the coupling effects between design variables and product specifications. In this model, interval boxes are adopted to describe the uncertainty of design parameters quantitatively to enhance the design robustness. To solve this constraint network model, a general consistent algorithm framework is designed and implemented with interval arithmetic and the genetic algorithm, which can deal with both algebraic and ordinary differential equations. With the help of this method, designers could infer the consistent solution space from the given specifications. A case study involving the design of a bogie dumping system demonstrates the usefulness of this approach.

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

    Science.gov (United States)

    Sakurada, Takeshi; Ito, Koji; Gomi, Hiroaki

    2016-01-01

    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. © 2015 The Authors. European Journal of Neuroscience published by Federation of European Neuroscience Societies and

  20. Coordinates in relativistic Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1984-01-01

    The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

  1. Addition of HO-nucleophiles to free and coordinated nitriles

    International Nuclear Information System (INIS)

    Bokach, Nadejda A; Kukushkin, Vadim Yu

    2005-01-01

    The review surveys data on the addition of HO-nucleophiles (water, oximes, hydroxylamines, hydroxamic acids, alcohols) to nitriles. Main methods for C≡N bond activation in nucleophilic addition reactions are discussed. Particular attention is given to activation of nitriles through coordination to metal centres.

  2. Encoding of coordination complexes with XML.

    Science.gov (United States)

    Vinoth, P; Sankar, P

    2017-09-01

    An in-silico system to encode structure, bonding and properties of coordination complexes is developed. The encoding is achieved through a semantic XML markup frame. Composition of the coordination complexes is captured in terms of central atom and ligands. Structural information of central atom is detailed in terms of electron status of valence electron orbitals. The ligands are encoded with specific reference to the electron environment of ligand centre atoms. Behaviour of ligands to form low or high spin complexes is accomplished by assigning a Ligand Centre Value to every ligand based on the electronic environment of ligand centre atom. Chemical ontologies are used for categorization purpose and to control different hybridization schemes. Complexes formed by the central atoms of transition metal, non-transition elements belonging to s-block, p-block and f-block are encoded with a generic encoding platform. Complexes of homoleptic, heteroleptic and bridged types are also covered by this encoding system. Utility of the encoded system to predict redox electron transfer reaction in the coordination complexes is demonstrated with a simple application. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Comparative eye-tracking evaluation of scatterplots and parallel coordinates

    Directory of Open Access Journals (Sweden)

    Rudolf Netzel

    2017-06-01

    Full Text Available We investigate task performance and reading characteristics for scatterplots (Cartesian coordinates and parallel coordinates. In a controlled eye-tracking study, we asked 24 participants to assess the relative distance of points in multidimensional space, depending on the diagram type (parallel coordinates or a horizontal collection of scatterplots, the number of data dimensions (2, 4, 6, or 8, and the relative distance between points (15%, 20%, or 25%. For a given reference point and two target points, we instructed participants to choose the target point that was closer to the reference point in multidimensional space. We present a visual scanning model that describes different strategies to solve this retrieval task for both diagram types, and propose corresponding hypotheses that we test using task completion time, accuracy, and gaze positions as dependent variables. Our results show that scatterplots outperform parallel coordinates significantly in 2 dimensions, however, the task was solved more quickly and more accurately with parallel coordinates in 8 dimensions. The eye-tracking data further shows significant differences between Cartesian and parallel coordinates, as well as between different numbers of dimensions. For parallel coordinates, there is a clear trend toward shorter fixations and longer saccades with increasing number of dimensions. Using an area-of-interest (AOI based approach, we identify different reading strategies for each diagram type: For parallel coordinates, the participants’ gaze frequently jumped back and forth between pairs of axes, while axes were rarely focused on when viewing Cartesian coordinates. We further found that participants’ attention is biased: toward the center of the whole plotfor parallel coordinates and skewed to the center/left side for Cartesian coordinates. We anticipate that these results may support the design of more effective visualizations for multidimensional data.

  4. Direct Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Austern, N. [University of Pittsburgh, Pittsburgh, PA (United States)

    1963-01-15

    In order to give a unified presentation of one point of view, these lectures are devoted only to a detailed development of the standard theories of direct reactions, starting from basic principles. Discussion is given of the present status of the theories, of the techniques used for practical calculation, and of possible future developments. The direct interaction (DI) aspects of a reaction are those which involve only a few of the many degrees of freedom of a nucleus. In fact the minimum number of degrees of freedom which must be involved in a reaction are those required to describe the initial and final channels, and DI studies typically consider these degrees of freedom and no others. Because of this simplicity DI theories may be worked out in painstaking detail. DI processes concern only part of the wave function for a problem. The other part involves complicated excitations of many degrees of freedom, and gives the compound nucleus (CN) effects. While it is extremely interesting to learn how to separate DI and CN effects in an orderly manner, if they are both present in a reaction, no suitable method has yet been found. Instead, current work stresses the kinds of reactions and the kinds of final states in which DI effects dominate and in which CN effects may almost be forgotten. The DI cross-sections which are studied are often extremely large, comparable to elastic scattering cross-sections. (author)

  5. Variability Bugs:

    DEFF Research Database (Denmark)

    Melo, Jean

    . Although many researchers suggest that preprocessor-based variability amplifies maintenance problems, there is little to no hard evidence on how actually variability affects programs and programmers. Specifically, how does variability affect programmers during maintenance tasks (bug finding in particular......)? How much harder is it to debug a program as variability increases? How do developers debug programs with variability? In what ways does variability affect bugs? In this Ph.D. thesis, I set off to address such issues through different perspectives using empirical research (based on controlled...... experiments) in order to understand quantitatively and qualitatively the impact of variability on programmers at bug finding and on buggy programs. From the program (and bug) perspective, the results show that variability is ubiquitous. There appears to be no specific nature of variability bugs that could...

  6. Anchoring in a novel bimanual coordination pattern.

    Science.gov (United States)

    Maslovat, Dana; Lam, Melanie Y; Brunke, Kirstin M; Chua, Romeo; Franks, Ian M

    2009-02-01

    Anchoring in cyclical movements has been defined as regions of reduced spatial or temporal variability [Beek, P. J. (1989). Juggling dynamics. PhD thesis. Amsterdam: Free University Press] that are typically found at movement reversal points. For in-phase and anti-phase movements, synchronizing reversal points with a metronome pulse has resulted in decreased anchor point variability and increased pattern stability [Byblow, W. D., Carson, R. G., & Goodman, D. (1994). Expressions of asymmetries and anchoring in bimanual coordination. Human Movement Science, 13, 3-28; Fink, P. W., Foo, P., Jirsa, V. K., & Kelso, J. A. S. (2000). Local and global stabilization of coordination by sensory information. Experimental Brain Research, 134, 9-20]. The present experiment examined anchoring during acquisition, retention, and transfer of a 90 degrees phase-offset continuous bimanual coordination pattern (whereby the right limb lags the left limb by one quarter cycle), involving horizontal flexion about the elbow. Three metronome synchronization strategies were imposed: participants either synchronized maximal flexion of the right arm (i.e., single metronome), both flexion and extension of the right arm (i.e., double metronome within-limb), or flexion of each arm (i.e., double metronome between-limb) to an auditory metronome. In contrast to simpler in-phase and anti-phase movements, synchronization of additional reversal points to the metronome did not reduce reversal point variability or increase pattern stability. Furthermore, practicing under different metronome synchronization strategies did not appear to have a significant effect on the rate of acquisition of the pattern.

  7. Reaction mechanisms

    International Nuclear Information System (INIS)

    Nguyen Trong Anh

    1988-01-01

    The 1988 progress report of the Reaction Mechanisms laboratory (Polytechnic School, France), is presented. The research topics are: the valence bond methods, the radical chemistry, the modelling of the transition states by applying geometric constraints, the long range interactions (ion - molecule) in gaseous phase, the reaction sites in gaseous phase and the mass spectroscopy applications. The points of convergence between the investigations of the mass spectroscopy and the theoretical chemistry teams, as well as the purposes guiding the research programs, are discussed. The published papers, the conferences, the congress communications and the thesis, are also reported [fr

  8. Coordination of Conditional Poisson Samples

    Directory of Open Access Journals (Sweden)

    Grafström Anton

    2015-12-01

    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.

  9. Coordination in continuously repeated games

    NARCIS (Netherlands)

    Weeren, A.J.T.M.; Schumacher, J.M.; Engwerda, J.C.

    1995-01-01

    In this paper we propose a model to describe the effectiveness of coordination in a continuously repeated two-player game. We study how the choice of a decision rule by a coordinator affects the strategic behavior of the players, resulting in more or less cooperation. Our model requires the analysis

  10. Coordinated Transportation: Problems and Promise?

    Science.gov (United States)

    Fickes, Michael

    1998-01-01

    Examines the legal, administrative, and logistical barriers that have prevented the wide acceptance of coordinating community and school transportation services and why these barriers may be breaking down. Two examples of successful implementation of coordinated transportation are examined: employing a single system to serve all transportation…

  11. Bare coordination: the semantic shift

    NARCIS (Netherlands)

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type,

  12. Multipole structure and coordinate systems

    International Nuclear Information System (INIS)

    Burko, Lior M

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the lowest non-vanishing one.) This result is demonstrated for the case of two equal like electric charges. Specifically, an adapted coordinate system in which the potential is given by a monopole term only is explicitly found, the coefficients of all higher multipoles vanish identically. It is suggested that this result can be generalized to other potential problems, by making equal coordinate surfaces adapt to the potential problem's equipotential surfaces

  13. Allergic reactions

    Science.gov (United States)

    ... that don't bother most people (such as venom from bee stings and certain foods, medicines, and pollens) can ... person. If the allergic reaction is from a bee sting, scrape the ... more venom. If the person has emergency allergy medicine on ...

  14. Keep Meaning in Conversational Coordination

    Directory of Open Access Journals (Sweden)

    Elena Clare Cuffari

    2014-12-01

    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.

  15. Coordinating distributed work : Exploring situated coordination with gaming-simulation

    NARCIS (Netherlands)

    van Laere, J.

    2003-01-01

    Organizational work has become more and more distributed nowadays. Information and communication technologies (ICT) provide opportunities to improve coordination of distributed work, but in practice many organizations struggle with integrating new organizational structures, new work practices and

  16. Modular construction of oxide structures--compositional control of transition metal coordination environments.

    Science.gov (United States)

    Tenailleau, Christophe; Allix, Mathieu; Claridge, John B; Hervieu, Maryvonne; Thomas, Michael F; Hirst, James P; Rosseinsky, Matthew J

    2008-06-18

    The effects of reaction temperature and pO2 were investigated on a series of (Ba,Ca,Nd)FeO3-delta perovskite systems in order to isolate phases containing ordered arrangements of the distinct vacancy and cation ordering patterns identified in less compositionally complex iron oxide systems. Initial synthesis in air at high temperature yields cubic perovskite phases (I) with average iron oxidation states higher than 3; selected area electron diffraction together with diffuse features observed in the synchrotron X-ray diffraction (SXRD) patterns of these materials show evidence of small domains of short-range cation and vacancy order. Annealing these materials in nitrogen or in a sealed tube in the presence of an NiO/Ni buffer yielded the Fe(3+) phase Ca2Ba2Nd2Fe6O16 (II), closely related to Sr2LaFe3O8 but with partial cation order as well as anion order present the larger Ba cations are largely present in the 12-coordinate site between the octahedral iron layers, and Ca is largely present in 10-coordinate sites between octahedral and tetrahedral sites. Further reduction of Ca2Ba2Nd2Fe6O16 using a Zr getter yields the mixed-valence phase Ca2Ba2Nd2Fe6O15.6 (III). The structure of III was solved by maximum entropy analysis of XRD data coupled with analysis of high-temperature neutron diffraction data and refined against combined SXRD and high-Q ambient-temperature neutron data. This material crystallizes in a 20-fold perovskite super cell (Imma, a approximately square root(2 x a(p), b approximately 10 x a(p), c approximately square root(x 2a(p)) and can be visualized as an intergrowth between brownmillerite (Ca2Fe2O5) and the YBa2Fe3O8 structure. There are three distinct iron coordination environments, octahedral (O), square-pyramidal (Sp), and trigonal planar (Tp, formed by distorting the tetrahedral site in brownmillerite), which form a Sp-O-Tp-O-Sp repeat. Bond valence calculations indicate that Tp is an Fe(2+) site, while the O and Sp sites are Fe(3+). The A

  17. Adaptive coordination in surgical teams: an interview study.

    Science.gov (United States)

    Bogdanovic, Jasmina; Perry, Juliana; Guggenheim, Merlin; Manser, Tanja

    2015-04-01

    Effective teamwork has been recognised as a major contributor to safe patient care in surgery. Previous research has highlighted the importance of adaptive coordination for effective performance in acute care settings. Expanding this line of research this study explores the coordination behaviours and adaptive coordination strategies employed by surgical teams and identifies relevant situational characteristics influencing those coordination processes. We conducted a qualitative content analysis of semi-structured interviews with 33 surgical team members (nurses and physicians) from different specialties and hospitals. We identified coordination behaviours (i.e. task management, information management, teaching and leadership) and adaptive coordination strategies triggered by varying requirements due to non-routine events, intraoperative complications and differing level of experience among operating room staff. Interviewees highlighted the importance of effectively managing challenging moments and the supporting effect of positive climate on teamwork. This study complements previous research on the non-technical skills underpinning safe performance in surgical teams. It highlights the central role of coordination and points out the ways in which situational variability requires the team to behave adaptively.

  18. Price schedules coordination for electricity pool markets

    Science.gov (United States)

    Legbedji, Alexis Motto

    2002-04-01

    We consider the optimal coordination of a class of mathematical programs with equilibrium constraints, which is formally interpreted as a resource-allocation problem. Many decomposition techniques were proposed to circumvent the difficulty of solving large systems with limited computer resources. The considerable improvement in computer architecture has allowed the solution of large-scale problems with increasing speed. Consequently, interest in decomposition techniques has waned. Nonetheless, there is an important class of applications for which decomposition techniques will still be relevant, among others, distributed systems---the Internet, perhaps, being the most conspicuous example---and competitive economic systems. Conceptually, a competitive economic system is a collection of agents that have similar or different objectives while sharing the same system resources. In theory, constructing a large-scale mathematical program and solving it centrally, using currently available computing power can optimize such systems of agents. In practice, however, because agents are self-interested and not willing to reveal some sensitive corporate data, one cannot solve these kinds of coordination problems by simply maximizing the sum of agent's objective functions with respect to their constraints. An iterative price decomposition or Lagrangian dual method is considered best suited because it can operate with limited information. A price-directed strategy, however, can only work successfully when coordinating or equilibrium prices exist, which is not generally the case when a weak duality is unavoidable. Showing when such prices exist and how to compute them is the main subject of this thesis. Among our results, we show that, if the Lagrangian function of a primal program is additively separable, price schedules coordination may be attained. The prices are Lagrange multipliers, and are also the decision variables of a dual program. In addition, we propose a new form of

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

    Directory of Open Access Journals (Sweden)

    Manuel eVarlet

    2014-02-01

    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. On metal-oxygen coordination. A statistical method to determine coordination number. Pt. 1

    International Nuclear Information System (INIS)

    Chiari, G.

    1990-01-01

    The environment around the Ca cation for compounds involving bonded oxygen has been studied for 254 inorganic structures containing a total of 368 polyhedra. Selection was made on the bases of the accuracy of the structural data. The coordination number (CN) was assigned using the criteria of maximum gap in the Ca-O distances and balanced bond-valence sums for Ca, but 32 cases were still difficult to assign unambiguously. A series of variables related to the Ca-O distances were calculated and averaged for each value of CN. The Gaussian curves representing the distribution of these variables for each CN overlap strongly. By way of contrast, the volume of the coordination polyhedra (Vol) showed well separated curves. Statistical analysis was applied to the set of structures with known CN, with seven variables and then with Vol alone, which seems to discriminate between the various CN groups equally well. A strong linear dependence was found for CN versus Vol. A method is proposed to assign CN in uncertain cases based on the equation: CN=0.197 (2)Vol+2.83 (5). Application of this equation to the unassigned cases compares favourably with discriminant analysis using the larger set of variables. (orig.)

  1. The coordinate transforming in geography information system

    International Nuclear Information System (INIS)

    Zhao Xiang; Chen Gang

    2003-01-01

    The coordinate transforming of geography information system includes two kinds of transforming, map projection and coordinate-transforming. This paper proposed a arithmetic of coordinate-transforming, it implement the transforming between the longitude-latitude coordinate and the screen coordinate and apply it in the GIS. The preferable effect was made. (authors)

  2. Cobalt(ll) Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

    Science.gov (United States)

    King-Díaz, Beatriz; Montes-Ayala, Josefina; Escartín-Guzmán, Concepción; Castillo-Blum, Silvia E.; Iglesias-Prieto, Roberto; Lotina-Hennsen, Blas; Barba-Behrens, Norah

    2005-01-01

    In this work we present the synthesis, structural and spectroscopic characterization of Co2+ coordination compounds with ethyl 4-methyl-5-imidazolecarboxylate (emizco). The effects of emizco, the metal salts CoCl2.6H2O, CoBr2, Co(NO3)2.6H2O and their metal coordination compounds [Co(emizco)2Cl2], [Co(emizco)2 Br2].H2O, [Co(emizco)2 (H2O)2(NO2)2.2H2O were evaluated on photosynthesis in spinach chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum and Triticum aestivum and the dicotyledonous species Trifolium alexandrinum and Physalis ixocarpa were also assayed under the effect of the compounds and salts. The results showed that cobalt(II) salts and their emizco coordination compounds inhibit photosynthetic electron flow and ATP-synthesis, behaving as Hill reaction inhibitors. Coordination compounds are more potent inhibitors than the salts. It was found that the salts target is at the b6f level while the complexes targets are at QB(D1)-protein and b6f level. The QB inhibition site was confirmed by variable chlorophyll a fluorescence yield. On the other hand, emizco inhibits seed germination, root and shoot development, in both weed and crop species. Cobalt(II) coordination compounds are the most effective photosynthesis inhibitors, but they are less potent than emizco in germination and seedling growth, while the metal salts are the least active of all. PMID:18365092

  3. Self-processing 2A-polyproteins--a system for co-ordinate expression of multiple proteins in transgenic plants.

    Science.gov (United States)

    Halpin, C; Cooke, S E; Barakate, A; El Amrani, A; Ryan, M D

    1999-02-01

    Achieving co-ordinate, high-level and stable expression of multiple transgenes in plants is currently difficult. Expression levels are notoriously variable and influenced by factors that act independently on transgenes at different genetic loci. Instability of expression due to loss, re-arrangement or silencing of transgenes may occur, and is exacerbated by increasing numbers of transgenic loci and repeated use of homologous sequences. Even linking two or more genes within a T-DNA does not necessarily result in co-ordinate expression. Linking proteins in a single open reading frame--a polyprotein--is a strategy for co-ordinate expression used by many viruses. After translation, polyproteins are processed into constituent polypeptides, usually by proteinases encoded within the polyprotein itself. However, in foot-and-mouth disease virus (FMDV), a sequence (2A) of just 16-20 amino acids appears to have the unique capability to mediate cleavage at its own C-terminus by an apparently enzyme-independent, novel type of reaction. This sequence can also mediate cleavage in a heterologous protein context in a range of eukaryotic expression systems. We have constructed a plasmid in which the 2A sequence is inserted between the reporter genes chloramphenicol acetyltransferase (CAT) and beta-glucuronidase (GUS), maintaining a single open reading frame. Here we report that expression of this construct in wheatgerm lysate and transgenic plants results in efficient cleavage of the polyprotein and co-ordinate expression of active CAT and GUS. Self-processing polyproteins using the FMDV 2A sequence could therefore provide a system for ensuring co-ordinated, stable expression of multiple introduced proteins in plant cells.

  4. Who matters in coordination problems?

    Czech Academy of Sciences Publication Activity Database

    Sákovics, J.; Steiner, Jakub

    2012-01-01

    Roč. 102, č. 7 (2012), s. 3439-3461 ISSN 0002-8282 Institutional support: RVO:67985998 Keywords : coordination problem s * heterogeneous agents Subject RIV: AH - Economics Impact factor: 2.792, year: 2012

  5. Coordination Processes in International Organisations

    DEFF Research Database (Denmark)

    Nedergaard, Peter

    2008-01-01

    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......-à-vis their principals, the Member States. The Commission is the leading agent in the phase leading up to the Conference; the Presidency then takes over. On the one hand, due to the Treaty obligations and their interpretations by the Court of Justice, both the Presidency and the Commission are kept within tight limits...... 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...

  6. Hall effect in noncommutative coordinates

    International Nuclear Information System (INIS)

    Dayi, Oemer F.; Jellal, Ahmed

    2002-01-01

    We consider electrons in uniform external magnetic and electric fields which move on a plane whose coordinates are noncommuting. Spectrum and eigenfunctions of the related Hamiltonian are obtained. We derive the electric current whose expectation value gives the Hall effect in terms of an effective magnetic field. We present a receipt to find the action which can be utilized in path integrals for noncommuting coordinates. In terms of this action we calculate the related Aharonov-Bohm phase and show that it also yields the same effective magnetic field. When magnetic field is strong enough this phase becomes independent of magnetic field. Measurement of it may give some hints on spatial noncommutativity. The noncommutativity parameter θ can be tuned such that electrons moving in noncommutative coordinates are interpreted as either leading to the fractional quantum Hall effect or composite fermions in the usual coordinates

  7. Future in actinoids coordination chemistry

    International Nuclear Information System (INIS)

    Kitazawa, Takafumi

    2006-01-01

    Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

  8. Photoneutron Reaction Data for Nuclear Physics and Astrophysics

    Directory of Open Access Journals (Sweden)

    Utsunomiya Hiroaki

    2018-01-01

    Full Text Available We discuss the role of photoneutron reaction data in nuclear physics and astrophysics in conjunction with the Coordinated Research Project of the International Atomic Energy Agency with the code F41032 (IAEA-CRP F41032.

  9. Photoneutron Reaction Data for Nuclear Physics and Astrophysics

    Science.gov (United States)

    Utsunomiya, Hiroaki; Renstrøm, Therese; Tveten, Gry Merete; Gheorghe, Ioana; Filipescu, Dan Mihai; Belyshev, Sergey; Stopani, Konstantin; Wang, Hongwei; Fan, Gongtao; Lui, Yiu-Wing; Symochko, Dmytro; Goriely, Stephane; Larsen, Ann-Cecilie; Siem, Sunniva; Varlamov, Vladimir; Ishkhanov, Boris; Glodariu, Tudor; Krzysiek, Mateusz; Takenaka, Daiki; Ari-izumi, Takashi; Amano, Sho; Miyamoto, Shuji

    2018-05-01

    We discuss the role of photoneutron reaction data in nuclear physics and astrophysics in conjunction with the Coordinated Research Project of the International Atomic Energy Agency with the code F41032 (IAEA-CRP F41032).

  10. Internal variables in thermoelasticity

    CERN Document Server

    Berezovski, Arkadi

    2017-01-01

    This book describes an effective method for modeling advanced materials like polymers, composite materials and biomaterials, which are, as a rule, inhomogeneous. The thermoelastic theory with internal variables presented here provides a general framework for predicting a material’s reaction to external loading. The basic physical principles provide the primary theoretical information, including the evolution equations of the internal variables. The cornerstones of this framework are the material representation of continuum mechanics, a weak nonlocality, a non-zero extra entropy flux, and a consecutive employment of the dissipation inequality. Examples of thermoelastic phenomena are provided, accompanied by detailed procedures demonstrating how to simulate them.

  11. Rare events via multiple reaction channels sampled by path replica exchange

    NARCIS (Netherlands)

    Bolhuis, P.G.

    2008-01-01

    Transition path sampling (TPS) was developed for studying activated processes in complex systems with unknown reaction coordinate. Transition interface sampling (TIS) allows efficient evaluation of the rate constants. However, when the transition can occur via more than one reaction channel

  12. Coordination theory and collaboration technology

    CERN Document Server

    Olson, Gary M; Smith, John B

    2001-01-01

    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

  13. Pulsating variables

    International Nuclear Information System (INIS)

    1989-01-01

    The study of stellar pulsations is a major route to the understanding of stellar structure and evolution. At the South African Astronomical Observatory (SAAO) the following stellar pulsation studies were undertaken: rapidly oscillating Ap stars; solar-like oscillations in stars; 8-Scuti type variability in a classical Am star; Beta Cephei variables; a pulsating white dwarf and its companion; RR Lyrae variables and galactic Cepheids. 4 figs

  14. Quasielastic reactions

    International Nuclear Information System (INIS)

    Hansen, O.

    1983-01-01

    A brief review is presented of the experimental and theoretical situation regarding transfer reactions and inelastic scattering. In the first category there is little (very little) precision data for heavy projectiles and consequently almost no experience with quantitative theoretical analysis. For the inelastic scattering the rather extensive data strongly supports the coupled channels models with collective formfactors. At the most back angles, at intensities about 10 -5 of Rutherford scattering, a second, compound-like mechanism becomes dominant. The description of the interplay of these two opposite mechanisms provides a new challenge for our understanding

  15. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    nescence, considerable attention has been focused on the construction of coordination .... measurements were performed on ground powder samples at .... Figure 2. (a) Coordination environment of Co1 ion in compound 2. (b) Coordination.

  16. Managing interteam coordination within and between organizations

    NARCIS (Netherlands)

    de Vries, Thomas Arend

    2015-01-01

    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’

  17. Lifting particle coordinate changes of magnetic moment type to Vlasov-Maxwell Hamiltonian dynamics

    International Nuclear Information System (INIS)

    Morrison, P. J.; Vittot, M.; Guillebon, L. de

    2013-01-01

    Techniques for coordinate changes that depend on both dependent and independent variables are developed and applied to the Maxwell-Vlasov Hamiltonian theory. Particle coordinate changes with a new velocity variable dependent on the magnetic field, with spatial coordinates unchanged, are lifted to the field theoretic level, by transforming the noncanonical Poisson bracket and Hamiltonian structure of the Vlasov-Maxwell dynamics. Several examples are given including magnetic coordinates, where the velocity is decomposed into components parallel and perpendicular to the local magnetic field, and the case of spherical velocity coordinates. An example of the lifting procedure is performed to obtain a simplified version of gyrokinetics, where the magnetic moment is used as a coordinate and the dynamics is reduced by elimination of the electric field energy in the Hamiltonian.

  18. Motor coordination uses external spatial coordinates independent of developmental vision.

    Science.gov (United States)

    Heed, Tobias; Röder, Brigitte

    2014-07-01

    The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Nuclear reactions

    International Nuclear Information System (INIS)

    Corner, J.; Richardson, K.; Fenton, N.

    1990-01-01

    Nuclear reactions' marks a new development in the study of television as an agency of public policy debate. During the Eighties, nuclear energy became a major international issue. The disasters at Three-mile Island and Chernobyl created a global anxiety about its risks and a new sensitivity to it among politicians and journalists. This book is a case-study into documentary depictions of nuclear energy in television and video programmes and into the interpretations and responses of viewers drawn from many different occupational groupings. How are the complex and specialist arguments about benefit, risk and proof conveyed through the different conventions of commentary, interview and film sequence? What symbolic associations does the visual language of television bring to portrayals of the issue? And how do viewers make sense of various and conflicting accounts, connecting what they see and hear on the screen with their pre-existing knowledge, experience and 'civic' expectations. The authors examine some of the contrasting forms and themes which have been used by programme makers to explain and persuade, and then give a sustained analysis of the nature and sources of viewers' own accounts. 'Nuclear Reactions' inquires into the public meanings surrounding energy and the environment, spelling out in its conclusion some of the implications for future media treatments of this issue. It is also a key contribution to the international literature on 'television knowledge' and the processes of active viewing. (author)

  20. Cognitive Variability

    Science.gov (United States)

    Siegler, Robert S.

    2007-01-01

    Children's thinking is highly variable at every level of analysis, from neural and associative levels to the level of strategies, theories, and other aspects of high-level cognition. This variability exists within people as well as between them; individual children often rely on different strategies or representations on closely related problems…

  1. Redox reactivity and coordination chemistry of uranium

    International Nuclear Information System (INIS)

    Nocton, G.

    2009-09-01

    The study and the understanding of actinides chemistry have important implications in the nuclear field both for the development of new actinides materials and the retreatment of the nuclear wastes. One of the major issues in that chemistry is that the actinides elements are known to undergo redox reaction and to form assemblies of different size and different topologies. In that context uranium can be a good model of the heavier radioelement because it is much less radioactive. So, this work concerns the synthesis and the study of the spectroscopy and the magnetic properties of several uranium based polymetallic assemblies synthesized by taking advantage of the redox properties and the coordination chemistry of uranium. The hydrolysis reactivity of trivalent uranium has been studied in absence of sterically hindered ligands and led to the synthesis of oxo/hydroxo uranium assemblies with different sizes by changing the starting complex or the reaction conditions. By following the same strategy, the controlled oxidation of trivalent uranium complexes led to an original azido/nitrido uranium complex. The coordination chemistry of the pentavalent uranyl polymer {[UO 2 py 5 ][KI 2 py 3 ]} n has also been studied with different ligand and in different conditions and led to several cation-cation complexes for which the stability is sufficient for studying there dismutation by proton NMR. By changing the ancillary ligands stable monomeric complexes of pentavalent uranyl complexes were also obtained. The magnetic properties of all the complexes, monomers and polymetallic complexes were studied and an antiferromagnetic coupling was observed for the cation-cation pentavalent uranyl dimer [UO 2 (dbm) 2 (K 18 C 6 )] 2 . (author)

  2. Spallation reactions; Reactions de spallation

    Energy Technology Data Exchange (ETDEWEB)

    Cugon, J.

    1996-12-31

    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.

  3. Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

    International Nuclear Information System (INIS)

    Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai

    2014-01-01

    A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  4. 18 CFR 2.25 - Ratemaking treatment of the cost of emissions allowances in coordination transactions.

    Science.gov (United States)

    2010-04-01

    ... the cost of emissions allowances in coordination transactions. 2.25 Section 2.25 Conservation of Power... § 2.25 Ratemaking treatment of the cost of emissions allowances in coordination transactions. (a... Commission provides for recovery of variable costs on an incremental basis, the Commission will allow...

  5. Federal interagency radiation policy coordination

    International Nuclear Information System (INIS)

    Young, A.L.

    1984-01-01

    The author discusses Federal interagency radiation policy coordination. The Committee on Interagency Radiation Research and Policy Coordination (CIRRPC) is explained as being dedicated to the success and forward motion of enhanced radiation research and policy coordination. Both CIRRPC and the Science Panel are staffed with Federal employees. Their expertise includes many and various radiation disciplines including cytogenetics, dosimetry, epidemiology, genetics, health physics, nuclear medicine, radiology, radiation carcinogenesis, and risk assessment. Ten scientific and technical issues in their preliminary order are presented: radioepidemiological tables; de minimis radiation levels; radon progeny health effects; occupational exposure registry; measurement, recording, and control of radiation; food irradiation; use of radiation in science, industry, and medicine; nonionizing radiation; and remedial actions

  6. Porous coordination polymer with flexibility imparted by coordinatively changeable lithium ions on the pore surface.

    Science.gov (United States)

    Xie, Lin-Hua; Lin, Jian-Bin; Liu, Xiao-Min; Wang, Yu; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2010-02-01

    Solvothermal reactions of equimolar zinc acetate, lithium acetate, and 1,3,5-benzenetricarboxylic acid (H(3)btc) in different mixed solvents yielded isostructural three-dimensional frameworks [LiZn(btc)(cG)].lG [cG and lG denote coordinated and lattice guests, respectively; cG = (nmp)(0.5)(H(2)O)(0.5), lG = (EtOH)(0.5) (1a); cG = H(2)O, lG = EtOH (1b); nmp = N-methyl-2-pyrrolidone] with one-dimensional channels occupied by guest molecules and solvent-coordinated, extrusive Li(+) ions. Thermogravimetry analyses and powder X-ray diffraction measurements revealed that both 1a and 1b can lose all lattice and coordinated guests to form a desolvated phase [LiZn(btc)] (MCF-27, 1) and almost retains the original framework structure. Gas adsorption measurements on 1 confirmed its permanent porosity but suggested a structural transformation from 1a/1b to 1. It is noteworthy that only 1a can undergo a single-crystal to single-crystal (SCSC) transformation into 1 upon desolvation. The crystal structure of 1 revealed that the Li(+) ions were retracted into the channel walls via complementary coordination to the carboxylate oxygen atoms in the framework rather than being exposed on the pore surface. Single-crystal X-ray diffraction analyses were also performed for N(2)- and CO(2)-loaded samples of 1, revealing that the framework remained unchanged when the gases were adsorbed. Although the gas molecules could not be modeled, the residue electrons inside the channels demonstrated that the retracted Li(+) ions still behave as the primary interacting site for CO(2) molecules. Nevertheless, solvent molecules such as H(2)O can readily compete with the framework oxygen atom to retrieve the extrusive Li(+) ions, accompanying the reverse structural transformation, i.e., from 1 to 1a/1b.

  7. An argument for VP coordination: scene-setting coordination and ...

    African Journals Online (AJOL)

    This article demonstrates the properties of this curious construction type and proposes the first analysis to date. It is argued that this is an instance of VP coordination and that this configuration allows the possibility of high merger of direct objects in a constrained fashion. Southern African Linguistics and Applied Language ...

  8. Evaluating the Relational Coordination instrument

    DEFF Research Database (Denmark)

    Edwards, Kasper; Lundstrøm, Sanne Lykke

    2014-01-01

    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....... We distinguish between statistical and clinical significance. Statistical significance is calculated using T-test. Clinical significance is the minimal amount of change in relational coordination score that is not considered noise. Sensitivity of the instrument i.e. the ability of the instrument...

  9. Cation coordination in oxychloride glasses

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J A [Energy Technology Division, Argonne National Laboratory, Argonne, IL (United States); Holland, D [Physics Department, Warwick University, Coventry (United Kingdom); Bland, J [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom); Johnson, C E [Physics Department, Northern Illinois University, DeKalb, IL (United States); Thomas, M F [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom)

    2003-02-19

    Glasses containing mixtures of cations and anions of nominal compositions [Sb{sub 2}O{sub 3}]{sub x} - [ZnCl{sub 2}]{sub 1-x} where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb){sub 2}(OZn)] and [Zn(ClZn){sub 2}(OSb){sub 2}].

  10. Cation coordination in oxychloride glasses

    International Nuclear Information System (INIS)

    Johnson, J A; Holland, D; Bland, J; Johnson, C E; Thomas, M F

    2003-01-01

    Glasses containing mixtures of cations and anions of nominal compositions [Sb 2 O 3 ] x - [ZnCl 2 ] 1-x where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb) 2 (OZn)] and [Zn(ClZn) 2 (OSb) 2

  11. Bare coordination: the semantic shift

    OpenAIRE

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type, the determiner shows agreement with the first conjunct, while the second conjunct is bare, as in the Spanish example el hornero y hornera cobraban en panes (‘thesg.m bakersg.m and bakersg.f werepl p...

  12. Antecedents of individuals' interteam coordination: Broad functional experiences as a mixed blessing

    NARCIS (Netherlands)

    Vries, T.A. de; Walter, F.; Vegt, G.S. van der; Essens, P.J.M.D.

    2014-01-01

    This manuscript investigates the role of individual team members' breadth of functional experience for their interteam coordination behavior. Integrating personal construct and social identity theories, we examine interpersonal cognitive complexity as a mediating variable and organizational

  13. Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand

    International Nuclear Information System (INIS)

    Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz

    2015-01-01

    Three new coordination polymers [Mn(hip)(phen) (H_2O)]_n (1), [Co(hip)(phen) (H_2O)]_n (2), and [Cd(hip) (phen) (H_2O)]_n (3) (H_2hip=5-hydroxyisophthalic acid; phen=1,10-phenanthroline) have been synthesized by solvo-hydrothermal method using diethyl formamide-water (DEF-H_2O) as solvent system. Single-crystal X-ray diffraction analysis reveals that all three coordination polymers 1, 2 and 3 crystallize in monoclinic space group P2/n. Metal ions are inter-connected by hydroxyisophthalate anions forming zig-zag 1D chain. 1D chains are further inter-connected by hydrogen bonding and π–π stacking interactions leading to 3D supramolecular architecture. Hydrogen-bonding and π–π stacking provide thermal stability to polymers. Compounds 1 and 2 are paramagnetic at room temperature and variable temperature magnetic moment measurements revealed weak ferromagnetic interactions between metal ions at low temperature. Compound 3 exhibits excellent photoluminescence with large Stokes shift. - Graphical abstract: 1D helical chains of coordination polymers were synthesized by solvo-hydrothermal reaction of 5-hydroxyisopthalic acid and 1,10-phenanthroline with MnCl_2·4H_2O / CoCl_2·6H_2O / Cd(NO_3)_2·6H_2O. - Highlights: • Solvent induced synthesis of three coordination polymers with 1D zig-zag structure. • Crystal structures of coordination polymers are reported and discussed. • 1,10-Phenanthroline influences magnetic and luminescent properties of polymers. • Coordination polymer of Cd is luminescent exhibiting large Stokes shift.

  14. Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand

    Energy Technology Data Exchange (ETDEWEB)

    Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz, E-mail: hnsheikh@rediffmail.com

    2015-11-15

    Three new coordination polymers [Mn(hip)(phen) (H{sub 2}O)]{sub n} (1), [Co(hip)(phen) (H{sub 2}O)]{sub n} (2), and [Cd(hip) (phen) (H{sub 2}O)]{sub n} (3) (H{sub 2}hip=5-hydroxyisophthalic acid; phen=1,10-phenanthroline) have been synthesized by solvo-hydrothermal method using diethyl formamide-water (DEF-H{sub 2}O) as solvent system. Single-crystal X-ray diffraction analysis reveals that all three coordination polymers 1, 2 and 3 crystallize in monoclinic space group P2/n. Metal ions are inter-connected by hydroxyisophthalate anions forming zig-zag 1D chain. 1D chains are further inter-connected by hydrogen bonding and π–π stacking interactions leading to 3D supramolecular architecture. Hydrogen-bonding and π–π stacking provide thermal stability to polymers. Compounds 1 and 2 are paramagnetic at room temperature and variable temperature magnetic moment measurements revealed weak ferromagnetic interactions between metal ions at low temperature. Compound 3 exhibits excellent photoluminescence with large Stokes shift. - Graphical abstract: 1D helical chains of coordination polymers were synthesized by solvo-hydrothermal reaction of 5-hydroxyisopthalic acid and 1,10-phenanthroline with MnCl{sub 2}·4H{sub 2}O / CoCl{sub 2}·6H{sub 2}O / Cd(NO{sub 3}){sub 2}·6H{sub 2}O. - Highlights: • Solvent induced synthesis of three coordination polymers with 1D zig-zag structure. • Crystal structures of coordination polymers are reported and discussed. • 1,10-Phenanthroline influences magnetic and luminescent properties of polymers. • Coordination polymer of Cd is luminescent exhibiting large Stokes shift.

  15. 47 CFR 95.1113 - Frequency coordinator.

    Science.gov (United States)

    2010-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review and...

  16. 29 CFR 42.8 - Coordination plan.

    Science.gov (United States)

    2010-07-01

    ... 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...

  17. Service Coordination Policies and Models: National Status.

    Science.gov (United States)

    Harbin, Gloria L.; Bruder, M.; Mazzarella, C.; Gabbard, G.; Reynolds, C.

    This report discusses the findings of a study that investigated state coordination of early intervention services for infants, toddlers, and young children with disabilities. State Part C coordinators participated in a survey that sought their perceptions of values under girding service coordination, approach to service coordination, policies,…

  18. Chain reaction

    International Nuclear Information System (INIS)

    Balogh, Brian.

    1991-01-01

    Chain Reaction is a work of recent American political history. It seeks to explain how and why America came to depend so heavily on its experts after World War II, how those experts translated that authority into political clout, and why that authority and political discretion declined in the 1970s. The author's research into the internal memoranda of the Atomic Energy Commission substantiates his argument in historical detail. It was not the ravages of American anti-intellectualism, as so many scholars have argued, that brought the experts back down to earth. Rather, their decline can be traced to the very roots of their success after World War II. The need to over-state anticipated results in order to garner public support, incessant professional and bureaucratic specialization, and the sheer proliferation of expertise pushed arcane and insulated debates between experts into public forums at the same time that a broad cross section of political participants found it easier to gain access to their own expertise. These tendencies ultimately undermined the political influence of all experts. (author)

  19. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

    Science.gov (United States)

    Singh, Raman K; Tsuneda, Takao

    2013-02-15

    The possibility of quantitative reaction analysis on the orbital energies of long-range corrected density functional theory (LC-DFT) is presented. First, we calculated the Diels-Alder reaction enthalpies that have been poorly given by conventional functionals including B3LYP functional. As a result, it is found that the long-range correction drastically improves the reaction enthalpies. The barrier height energies were also computed for these reactions. Consequently, we found that dispersion correlation correction is also crucial to give accurate barrier height energies. It is, therefore, concluded that both long-range exchange interactions and dispersion correlations are essentially required in conventional functionals to investigate Diels-Alder reactions quantitatively. After confirming that LC-DFT accurately reproduces the orbital energies of the reactant and product molecules of the Diels-Alder reactions, the global hardness responses, the halves of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, along the intrinsic reaction coordinates of two Diels-Alder reactions were computed. We noticed that LC-DFT results satisfy the maximum hardness rule for overall reaction paths while conventional functionals violate this rule on the reaction pathways. Furthermore, our results also show that the HOMO-LUMO gap variations are close to the reaction enthalpies for these Diels-Alder reactions. Based on these results, we foresee quantitative reaction analysis on the orbital energies. Copyright © 2012 Wiley Periodicals, Inc.

  20. Reciprocity theory of homogeneous reactions

    Science.gov (United States)

    Agbormbai, Adolf A.

    1990-03-01

    The reciprocity formalism is applied to the homogeneous gaseous reactions in which the structure of the participating molecules changes upon collision with one another, resulting in a change in the composition of the gas. The approach is applied to various classes of dissociation, recombination, rearrangement, ionizing, and photochemical reactions. It is shown that for the principle of reciprocity to be satisfied it is necessary that all chemical reactions exist in complementary pairs which consist of the forward and backward reactions. The backward reaction may be described by either the reverse or inverse process. The forward and backward processes must satisfy the same reciprocity equation. Because the number of dynamical variables is usually unbalanced on both sides of a chemical equation, it is necessary that this balance be established by including as many of the dynamical variables as needed before the reciprocity equation can be formulated. Statistical transformation models of the reactions are formulated. The models are classified under the titles free exchange, restricted exchange and simplified restricted exchange. The special equations for the forward and backward processes are obtained. The models are consistent with the H theorem and Le Chatelier's principle. The models are also formulated in the context of the direct simulation Monte Carlo method.

  1. Balancing Area Coordination: Efficiently Integrating Renewable Energy Into the Grid, Greening the Grid

    Energy Technology Data Exchange (ETDEWEB)

    Katz, Jessica; Denholm, Paul; Cochran, Jaquelin

    2015-06-01

    Greening the Grid provides technical assistance to energy system planners, regulators, and grid operators to overcome challenges associated with integrating variable renewable energy into the grid. Coordinating balancing area operation can promote more cost and resource efficient integration of variable renewable energy, such as wind and solar, into power systems. This efficiency is achieved by sharing or coordinating balancing resources and operating reserves across larger geographic boundaries.

  2. U.S. CWMD Coordination

    Science.gov (United States)

    2012-12-11

    coordination. For example, it conducted joint vehicle inspection training for Pakistani Customs and Border Guard personnel at a US- Mexico border...biological material, including such hazards as: anthrax, botulism, cholera , Ebola virus hemorrhagic fever, E. coli, Plague, and smallpox 79

  3. Collective coordinates on symplectic manifolds

    International Nuclear Information System (INIS)

    Razumov, A.V.; Taranov, A.Yu.

    1981-01-01

    For an arbitrary Lie group of canonical transformations on a symplectic manifold collective coordinates are introduced. They describe a motion of the dynamical system as a whole under the group transformations. Some properties of Lie group of canonical transformations are considered [ru

  4. Motivic amplitudes and cluster coordinates

    International Nuclear Information System (INIS)

    Golden, J.K.; Goncharov, A.B.; Spradlin, M.; Vergu, C.; Volovich, A.

    2014-01-01

    In this paper we study motivic amplitudes — objects which contain all of the essential mathematical content of scattering amplitudes in planar SYM theory in a completely canonical way, free from the ambiguities inherent in any attempt to choose particular functional representatives. We find that the cluster structure on the kinematic configuration space Conf n (ℙ 3 ) underlies the structure of motivic amplitudes. Specifically, we compute explicitly the coproduct of the two-loop seven-particle MHV motivic amplitude A 7,2 M and find that like the previously known six-particle amplitude, it depends only on certain preferred coordinates known in the mathematics literature as cluster X-coordinates on Conf n (ℙ 3 ). We also find intriguing relations between motivic amplitudes and the geometry of generalized associahedrons, to which cluster coordinates have a natural combinatoric connection. For example, the obstruction to A 7,2 M being expressible in terms of classical polylogarithms is most naturally represented by certain quadrilateral faces of the appropriate associahedron. We also find and prove the first known functional equation for the trilogarithm in which all 40 arguments are cluster X-coordinates of a single algebra. In this respect it is similar to Abel’s 5-term dilogarithm identity

  5. Co-ordinated Classroom Lectures.

    Science.gov (United States)

    Harmon, Darell Boyd

    From a series of lectures, a selection of eight are oriented principally toward the biologically developing child, and the physiological operations in visual process. The numbered lectures are--(1) The Coordinated Classroom, its Philosophy and Principles, (2) An Outline of a Biological Point of View, (3) The Evolution of Structure--despite man's…

  6. Henry Taube and Coordination Chemistry

    Science.gov (United States)

    dropdown arrow Site Map A-Z Index Menu Synopsis Henry Taube and Coordination Chemistry Resources with Professor of Chemistry, Emeritus, at Stanford University, received the 1983 Nobel Prize in Chemistry " there from 1940-41. "I became deeply interested in chemistry soon after I came to Berkeley,"

  7. Possibility of extending space-time coordinates

    International Nuclear Information System (INIS)

    Wang Yongcheng.

    1993-11-01

    It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

  8. Complex variables

    CERN Document Server

    Fisher, Stephen D

    1999-01-01

    The most important topics in the theory and application of complex variables receive a thorough, coherent treatment in this introductory text. Intended for undergraduates or graduate students in science, mathematics, and engineering, this volume features hundreds of solved examples, exercises, and applications designed to foster a complete understanding of complex variables as well as an appreciation of their mathematical beauty and elegance. Prerequisites are minimal; a three-semester course in calculus will suffice to prepare students for discussions of these topics: the complex plane, basic

  9. Dual motor drive vehicle speed synchronization and coordination control strategy

    Science.gov (United States)

    Huang, Hao; Tu, Qunzhang; Jiang, Chenming; Ma, Limin; Li, Pei; Zhang, Hongxing

    2018-04-01

    Multi-motor driven systems are more and more widely used in the field of electric engineering vehicles, as a result of the road conditions and the variable load of engineering vehicles, makes multi-motors synchronization coordinated control system as a key point of the development of the electric vehicle drive system. This paper based on electrical machinery transmission speed in the process of engineering vehicles headed for coordinated control problem, summarized control strategies at home and abroad in recent years, made analysis and comparison of the characteristics, finally discussed the trend of development of the multi-motor coordination control, provided a reference for synchronized control system research of electric drive engineering vehicles.

  10. An issue encountered in solving problems in electricity and magnetism: curvilinear coordinates

    International Nuclear Information System (INIS)

    Gülçiçek, Çağlar; Damlı, Volkan

    2016-01-01

    In physics lectures on electromagnetic theory and mathematical methods, physics teacher candidates have some difficulties with curvilinear coordinate systems. According to our experience, based on both in-class interactions and teacher candidates’ answers in test papers, they do not seem to have understood the variables in curvilinear coordinate systems very well. For this reason, the problems that physics teacher candidates have with variables in curvilinear coordinate systems have been selected as a study subject. The aim of this study is to find the physics teacher candidates’ problems with determining the variables of drawn shapes, and problems with drawing shapes based on given variables in curvilinear coordinate systems. Two different assessment tests were used in the study to achieve this aim. The curvilinear coordinates drawing test (CCDrT) was used to discover their problems related to drawing shapes, and the curvilinear coordinates detection test (CCDeT) was used to find out about problems related to determining variables. According to the findings obtained from both tests, most physics teacher candidates have problems with the ϕ variable, while they have limited problems with the r variable. Questions that are mostly answered wrongly have some common properties, such as value. According to inferential statistics, there is no significant difference between the means of the CCDeT and CCDrT scores. The mean of the CCDeT scores is only 4.63 and the mean of the CCDrT is only 4.66. Briefly, we can say that most physics teacher candidates have problems with drawing a shape using the variables of curvilinear coordinate systems or in determining the variables of drawn shapes. (paper)

  11. Global Ocean Carbon and Biogeochemistry Coordination

    Science.gov (United States)

    Telszewski, Maciej; Tanhua, Toste; Palacz, Artur

    2016-04-01

    The complexity of the marine carbon cycle and its numerous connections to carbon's atmospheric and terrestrial pathways means that a wide range of approaches have to be used in order to establish it's qualitative and quantitative role in the global climate system. Ocean carbon and biogeochemistry research, observations, and modelling are conducted at national, regional, and global levels to quantify the global ocean uptake of atmospheric CO2 and to understand controls of this process, the variability of uptake and vulnerability of carbon fluxes into the ocean. These science activities require support by a sustained, international effort that provides a central communication forum and coordination services to facilitate the compatibility and comparability of results from individual efforts and development of the ocean carbon data products that can be integrated with the terrestrial, atmospheric and human dimensions components of the global carbon cycle. The International Ocean Carbon Coordination Project (IOCCP) was created in 2005 by the IOC of UNESCO and the Scientific Committee on Oceanic Research. IOCCP provides an international, program-independent forum for global coordination of ocean carbon and biogeochemistry observations and integration with global carbon cycle science programs. The IOCCP coordinates an ever-increasing set of observations-related activities in the following domains: underway observations of biogeochemical water properties, ocean interior observations, ship-based time-series observations, large-scale ocean acidification monitoring, inorganic nutrients observations, biogeochemical instruments and autonomous sensors and data and information creation. Our contribution is through the facilitation of the development of globally acceptable strategies, methodologies, practices and standards homogenizing efforts of the research community and scientific advisory groups as well as integrating the ocean biogeochemistry observations with the

  12. On coordinates and coordinate transformation in Einstein's theory of gravitation

    International Nuclear Information System (INIS)

    Chou Peiyuan

    1983-01-01

    This investigation is a further exposition of the significance of coordinates and their transformation in Einstein's theory of gravitation. The author considers the static axisymmetric field as an example, starts with its metric in the cylindrical coordinates, transforms this metric and the field equations into the Weyl-Levi-Civita system of coordinates, and supplements them with the harmonic condition. Both of the field equations and the harmonic condition are then transformed back to the original Cartesian system. Solutions for the static fields of an infinite plane with uniform surface density and an infinite rod with uniform linear density of matter, and of a body with spherical symmetry, are obtained again to show the necessity of the harmonic condition in their solutions. The fact that under the harmonic condition the solutions of the field equations for these problems contain their corresponding Newtonian potentials as approximations, is a strong support to the argument that the harmonic condition should be a physical supplement to Einstein's theory of gravitation. (Auth.)

  13. Variable stars

    International Nuclear Information System (INIS)

    Feast, M.W.; Wenzel, W.; Fernie, J.D.; Percy, J.R.; Smak, J.; Gascoigne, S.C.B.; Grindley, J.E.; Lovell, B.; Sawyer Hogg, H.B.; Baker, N.; Fitch, W.S.; Rosino, L.; Gursky, H.

    1976-01-01

    A critical review of variable stars is presented. A fairly complete summary of major developments and discoveries during the period 1973-1975 is given. The broad developments and new trends are outlined. Essential problems for future research are identified. (B.R.H. )

  14. Vertical jump fatigue does not affect intersegmental coordination and segmental contribution

    Directory of Open Access Journals (Sweden)

    Gleber Pereira

    2014-09-01

    Full Text Available The aim of this study was to describe the intersegmental coordination and segmental contribution during intermittent vertical jumps performed until fatigue. Seven male visited the laboratory on two occasions: 1 the maximum vertical jump height was determined followed by vertical jumps habituation; 2 participants performed intermittent countermovement jumps until fatigue. Kinematic and kinetic variables were recorded. The overall reduction in vertical jump height was 5,5%, while the movement duration increased 10% during the test. The thigh segment angle at movement reversal significantly increased as the exercise progressed. Non-significant effect of fatigue on movement synergy was found for the intersegmental coordination pattern. More than 90% of the intersegmental coordination was explained by one coordination pattern. Thigh rotation contributed the most to the intersegmental coordination pattern, with the trunk second and the shank the least. Therefore, one intersegmental coordination pattern is followed throughout the vertical jumps until fatigue and thigh rotation contributes the most to jump height.

  15. Coordinating decentralized optimization of truck and shovel mining operations

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, R.; Fraser Forbes, J. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical and Materials Engineering; San Yip, W. [Suncor Energy, Fort McMurray, AB (Canada)

    2006-07-01

    Canada's oil sands contain the largest known reserve of oil in the world. Oil sands mining uses 3 functional processes, ore hauling, overburden removal and mechanical maintenance. The industry relies mainly on truck-and-shovel technology in its open-pit mining operations which contributes greatly to the overall mining operation cost. Coordination between operating units is crucial for achieving an enterprise-wide optimal operation level. Some of the challenges facing the industry include multiple or conflicting objectives such as minimizing the use of raw materials and energy while maximizing production. The large sets of constraints that define the feasible domain pose as challenge, as does the uncertainty in system parameters. One solution lies in assigning truck resources to various activities. This fully decentralized approach would treat the optimization of ore production, waste removal and equipment maintenance independently. It was emphasized that mine-wide optimal operation can only be achieved by coordinating ore hauling and overburden removal processes. For that reason, this presentation proposed a coordination approach for a decentralized optimization system. The approach is based on the Dantzig-Wolfe decomposition and auction-based methods that have been previously used to decompose large-scale optimization problems. The treatment of discrete variables and coordinator design was described and the method was illustrated with a simple truck and shovel mining simulation study. The approach can be applied to a wide range of applications such as coordinating decentralized optimal control systems and scheduling. 16 refs., 3 tabs., 2 figs.

  16. Normalized Index of Synergy for Evaluating the Coordination of Motor Commands

    Science.gov (United States)

    Togo, Shunta; Imamizu, Hiroshi

    2015-01-01

    Humans perform various motor tasks by coordinating the redundant motor elements in their bodies. The coordination of motor outputs is produced by motor commands, as well properties of the musculoskeletal system. The aim of this study was to dissociate the coordination of motor commands from motor outputs. First, we conducted simulation experiments where the total elbow torque was generated by a model of a simple human right and left elbow with redundant muscles. The results demonstrated that muscle tension with signal-dependent noise formed a coordinated structure of trial-to-trial variability of muscle tension. Therefore, the removal of signal-dependent noise effects was required to evaluate the coordination of motor commands. We proposed a method to evaluate the coordination of motor commands, which removed signal-dependent noise from the measured variability of muscle tension. We used uncontrolled manifold analysis to calculate a normalized index of synergy. Simulation experiments confirmed that the proposed method could appropriately represent the coordinated structure of the variability of motor commands. We also conducted experiments in which subjects performed the same task as in the simulation experiments. The normalized index of synergy revealed that the subjects coordinated their motor commands to achieve the task. Finally, the normalized index of synergy was applied to a motor learning task to determine the utility of the proposed method. We hypothesized that a large part of the change in the coordination of motor outputs through learning was because of changes in motor commands. In a motor learning task, subjects tracked a target trajectory of the total torque. The change in the coordination of muscle tension through learning was dominated by that of motor commands, which supported the hypothesis. We conclude that the normalized index of synergy can be used to evaluate the coordination of motor commands independently from the properties of the

  17. TURNAROUND COORDINATOR. YES OR NOT?

    Directory of Open Access Journals (Sweden)

    Martin HROMÁDKA

    2013-12-01

    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.

  18. A coordination language for databases

    DEFF Research Database (Denmark)

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

    2017-01-01

    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...... and primitives for the access and manipulation of structured data, with integrity and atomicity considerations. We present the formal semantics of Klaim-DB and develop a type system that avoids potential runtime errors such as certain evaluation errors and mismatches of data format in tables, which are monitored...... 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...

  19. Coordinating talk and practical action

    DEFF Research Database (Denmark)

    Oshima, Sae; Streeck, Jürgen

    2015-01-01

    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 acts....... 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...... to achieve progress in the other. These findings imply that some multimodal activities that are brought into alignment may have their own, separate and independent procedural logic and sequencing patterns and that these can be brought into play to create or deal with constraints in each other....

  20. Improving Channel Coordination Through Franchising

    OpenAIRE

    Rajiv Lal

    1990-01-01

    In this paper, we explore the role of franchising arrangements in improving coordination between channel members. In particular we focus on two elements of the franchising contract, namely, the royalty structure and the monitoring technology. We begin with a simple analysis where a manufacturer distributes its product through a retailer and the retail demand is affected by the retail price and the service provided by the retailer. In this context we show that neither royalty payments nor moni...

  1. Coordination in the European Union

    OpenAIRE

    Martin Feldstein

    2013-01-01

    This paper examines the sources of current conflict within the EU and the EMU. The topics discussed include the recent ECB policy of bond buying (the OMT policy), the attempts to advance the "European Project" of stronger political union (the fiscal compact, the banking union, and the proposals for budget supervision). Contrary to the claims of the European leadership, the progress that has been made has been by individual countries and not by coordinated action. The special problems of Franc...

  2. Coordination strategies of crew management

    Science.gov (United States)

    Conley, Sharon; Cano, Yvonne; Bryant, Don

    1991-01-01

    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.

  3. Monetary and Fiscal Policy Coordination

    OpenAIRE

    Hanif, Muhammad N.; Arby, Muhammad Farooq

    2003-01-01

    Macroeconomic policies are meant to achieve non-inflationary, stable growth. There are two major groups of policy instruments to achieve the purpose; one is related to monetary conditions and the other to fiscal conditions. Monetary instruments are employed by the central bank and fiscal instruments are employed by ministry of finance. The objectives and implications of policy measures taken by the two institutions often conflict with each other and thus call for policy coordination for effec...

  4. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  5. Reaction path sampling of the reaction between iron(II) and hydrogen peroxide in aqueous solution

    NARCIS (Netherlands)

    Ensing, B.; Baerends, E.J.

    2002-01-01

    Previously, we have studied the coordination and dissociation of hydrogen peroxide with iron(II) in aqueous solution by Car-Parrinello molecular dynamics at room temperature. We presented a few illustrative reaction events, in which the ferryl ion ([Fe(IV)O

  6. Porphyrin coordination polymer nanospheres and nanorods

    Science.gov (United States)

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

    2012-12-04

    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.

  7. Uranyl oxo activation and functionalization by metal cation coordination

    International Nuclear Information System (INIS)

    Arnold Polly, L.; Pecharman, A. F.; Hollis, E.; Parsons, S.; Love, J. B.; Yahia, A.; Maron, L.; Yahia, A.; Maron, L.

    2010-01-01

    The oxo groups in the uranyl ion [UO 2 ] 2+ - one of many oxo cations formed by metals from across the periodic table - are particularly inert, which explains the dominance of this ion in the laboratory and its persistence as an environmental contaminant. In contrast, transition metal oxo (M=O) compounds can be highly reactive and carry out difficult reactions such as the oxygenation of hydrocarbons. Here we show how the sequential addition of a lithium metal base to the uranyl ion constrained in a 'Pacman' environment results in lithium coordination to the U=O bonds and single-electron reduction. This reaction depends on the nature and stoichiometry of the lithium reagent and suggests that competing reduction and C-H bond activation reactions are occurring. (authors)

  8. Uranyl oxo activation and functionalization by metal cation coordination

    Energy Technology Data Exchange (ETDEWEB)

    Arnold Polly, L; Pecharman, A F; Hollis, E; Parsons, S; Love, J B [Univ Edinburgh, EaStCHEM Sch Chem, Edinburgh EH9 3JJ, Midlothian (United Kingdom); Yahia, A; Maron, L [Univ Toulouse 3, LPCNO, UMR 5215, INSA, CNRS, F-31077 Toulouse 4 (France); Yahia, A; Maron, L [Univ Montpellier 2, ENSCM, CNRS, ICSM, UMR 5257, CEA, Ctr Marcoule, F-30207 Bagnols Sur Ceze (France)

    2010-07-01

    The oxo groups in the uranyl ion [UO{sub 2}]{sup 2+} - one of many oxo cations formed by metals from across the periodic table - are particularly inert, which explains the dominance of this ion in the laboratory and its persistence as an environmental contaminant. In contrast, transition metal oxo (M=O) compounds can be highly reactive and carry out difficult reactions such as the oxygenation of hydrocarbons. Here we show how the sequential addition of a lithium metal base to the uranyl ion constrained in a 'Pacman' environment results in lithium coordination to the U=O bonds and single-electron reduction. This reaction depends on the nature and stoichiometry of the lithium reagent and suggests that competing reduction and C-H bond activation reactions are occurring. (authors)

  9. Chemical kinetics and reaction mechanism

    International Nuclear Information System (INIS)

    Jung, Ou Sik; Park, Youn Yeol

    1996-12-01

    This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.

  10. Rare earth niobate coordination polymers

    Science.gov (United States)

    Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E. S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May

    2018-03-01

    Rare-earth (RE) coordination polymers are infinitely tailorable to yield luminescent materials for various applications. Here we described the synthesis of a heterometallic rare-earth coordination compound ((CH3)2SO)3(RE)NbO(C2O4)3((CH3)2SO) = dimethylsulfoxide, DMSO, (C2O2= oxalate), (RE=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb). The structure was obtained from single crystal X-ray diffraction of the La analogue. The Nb˭O and DMSO terminal-bonding character guides assembly of an open framework structure with noncentrosymmetric RE-coordination geometry, and large spacing between the RE centers. A second structure was observed by PXRD for the smaller rare earths (Dy, Ho, Er, Yb); this structure has not yet been determined. The materials were further characterized using FTIR, and photoluminescence measurements. Characteristic excitation and emission transitions were observed for RE = Nd, Sm, Eu, and Tb. Quantum yield (QY) measurements were performed by exciting Eu and Tb analoges at 394 nm (QY 66%) and 464 nm (QY 71%) for Eu; and 370 nm (QY=40%) for Tb. We attribute the high QY and bright luminescence to two main structure-function properties of the system; namely the absence of water in the structure, and absence of concentration quenching.

  11. Ligand influences on properties of uranium coordination complexes. Structure, reactivity, and spectroscopy

    International Nuclear Information System (INIS)

    Kosog, Boris

    2012-01-01

    In this thesis several different aspects of uranium chemistry are presented. It was shown that terminal uranium(V) oxo and imido complexes [(( R ArO) 3 tacn)U V (O)] and [(( R ArO) 3 tacn)U V (NSiMe 3 )] (R = t Bu, Ad) can be oxidized by silver(I) hexafluoro-antimonate to the uranium(VI) oxo and imido complexes [(( R ArO) 3 tacn)U VI (O)]SbF 6 and [(( R ArO) 3 tacn)U VI (NSiMe 3 )]SbF 6 . While for the t Bu-derivative of the oxo complex an equatorial coordination is observed due to stabilization by the inverse trans-influence, normal axial coordination is observed for the Ad-derivative and both imido complexes. The inverse trans-influence was thus proven to be a key factor for the coordination mode of a terminal ligand on high valent uranium complexes. L III XANES was shown to be a great tool for the determination of oxidation states of uranium complexes. Therefore, a series of uranium complexes in all stable oxidation states for uranium, +III to +VI was prepared, and their spectra analyzed. All compounds bear only O-donor ligands in addition to the chlating trisaryloxide-tacn-ligand. A separation of 1.5 to 3 eV in the white line energy is observed between the different oxidation states. This series can be used as reference for compounds, where oxidation state assignment is not obvious, such as a ketyl radical complex [(( t-Bu Ar)O 3 tacn)U(O-C( t-Bu Ph) 2 .- )]. For this complex, the oxidation state of +IV could be assigned. Moreover, a series of isostructural uranium(IV) complexes was prepared. The influence of different ligands according to the spectrochemical series on the electronic and magnetic properties could be shown using UV/vis/NIR spectroscopy and variable temperature SQUID measurements. Calculations of uranium L III XANES spectra show a variation in the shape of the spectra and thus high resolution PFY-XANES would be a great tool to determine the electronic influence of these different axial ligands. Using the single N-anchored ligand system, the first

  12. The Effects of Variable Viscosity, Viscous Dissipation and Chemical Reaction on Heat and Mass Transfer Flow of MHD Micropolar Fluid along a Permeable Stretching Sheet in a Non-Darcian Porous Medium

    Directory of Open Access Journals (Sweden)

    A. M. Salem

    2013-01-01

    Full Text Available A numerical model is developed to study the effects of temperature-dependent viscosity on heat and mass transfer flow of magnetohydrodynamic(MHD micropolar fluids with medium molecular weight along a permeable stretching surface embedded in a non-Darcian porous medium in the presence of viscous dissipation and chemical reaction. The governing boundary equations for momentum, angular momentum (microrotation, and energy and mass transfer are transformed to a set of nonlinear ordinary differential equations by using similarity solutions which are then solved numerically by shooting technique. A comparison between the analytical and the numerical solutions has been included. The effects of the various physical parameters entering into the problem on velocity, microrotation, temperature and concentration profiles are presented graphically. Finally, the effects of pertinent parameters on local skin-friction coefficient, local Nusselt number and local Sherwood number are also presented graphically. One important observation is that for some kinds of mixtures (e.g., H2, air with light and medium molecular weight, the magnetic field and temperature-dependent viscosity effects play a significant role and should be taken into consideration as well.

  13. Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry.

    Science.gov (United States)

    Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli

    2016-12-20

    The coordination polymer [Co 2 L 4 (H 2 O) 2 ]·CH 3 CN·H 2 O (HL = (E)-2-[2-(4-chlorophenyl)vinyl]-8-hydroxyquinoline) has been achieved with 95% yield by using an Asia flow synthesis system (chip reactor). Compared with the conventional batch-type methods such as diffusion, reflux and solvothermal reactions, higher yielding reactions carried out in a flow reactor have demonstrated that this technique is a powerful strategy to obtain coordination compounds.

  14. Cardiorespiratory Coordination in Repeated Maximal Exercise

    Directory of Open Access Journals (Sweden)

    Sergi Garcia-Retortillo

    2017-06-01

    Full Text Available Increases in cardiorespiratory coordination (CRC after training with no differences in performance and physiological variables have recently been reported using a principal component analysis approach. However, no research has yet evaluated the short-term effects of exercise on CRC. The aim of this study was to delineate the behavior of CRC under different physiological initial conditions produced by repeated maximal exercises. Fifteen participants performed 2 consecutive graded and maximal cycling tests. Test 1 was performed without any previous exercise, and Test 2 6 min after Test 1. Both tests started at 0 W and the workload was increased by 25 W/min in males and 20 W/min in females, until they were not able to maintain the prescribed cycling frequency of 70 rpm for more than 5 consecutive seconds. A principal component (PC analysis of selected cardiovascular and cardiorespiratory variables (expired fraction of O2, expired fraction of CO2, ventilation, systolic blood pressure, diastolic blood pressure, and heart rate was performed to evaluate the CRC defined by the number of PCs in both tests. In order to quantify the degree of coordination, the information entropy was calculated and the eigenvalues of the first PC (PC1 were compared between tests. Although no significant differences were found between the tests with respect to the performed maximal workload (Wmax, maximal oxygen consumption (VO2 max, or ventilatory threshold (VT, an increase in the number of PCs and/or a decrease of eigenvalues of PC1 (t = 2.95; p = 0.01; d = 1.08 was found in Test 2 compared to Test 1. Moreover, entropy was significantly higher (Z = 2.33; p = 0.02; d = 1.43 in the last test. In conclusion, despite the fact that no significant differences were observed in the conventionally explored maximal performance and physiological variables (Wmax, VO2 max, and VT between tests, a reduction of CRC was observed in Test 2. These results emphasize the interest of CRC

  15. Multisites Coordination in Shared Multicast Trees

    National Research Council Canada - National Science Library

    Dommel, H-P; Garcia-Luna-Aceves, J. J

    1999-01-01

    .... The protocol supports Internet-wide coordination for large and highly interactive groupwork, relying on transmission of coordination directives between group members across a shared end-to-end multicast tree...

  16. International Coordination of Lunar Polar Volatiles Exploration

    Science.gov (United States)

    Gruener, J. E.; Suzuki, N. H.; Carpenter, J. D.

    2015-10-01

    The International Space Exploration Coordination Group (ISECG) has established a study team to coordinate the worldwide interest in lunar polar volatiles, and in particular water ice, in an effort to stimulate cooperation and collaboration.

  17. The Imperative for Improved Global Economic Coordination

    OpenAIRE

    Stiglitz, Joseph E.

    2009-01-01

    While global coordination is absolutely essential, success in achieving it may prove difficult because economic globalization has outpaced political globalization. If we are to succeed, we will have to manage coordination better than we have in the past.

  18. Dreams: a framework for distributed synchronous coordination

    NARCIS (Netherlands)

    Proença, J.; Clarke, D.; Vink, de E.P.; Arbab, F.

    2012-01-01

    Synchronous coordination systems, such as Reo, exchange data via indivisible actions, while distributed systems are typically asynchronous and assume that messages can be delayed or get lost. To combine these seemingly contradictory notions, we introduce the Dreams framework. Coordination patterns

  19. Reusable coordinator modules for massively concurrent applications

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1998-01-01

    htmlabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability and reusability of parallel and/or distributed software. MANIFOLD is a pure coordination language that encourages this separation. We use

  20. Coordinator, Evaluation Unit | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Job Summary The Evaluation Unit Coordinator is expected to: ... with Centre policies and procedures and disseminates information to Unit staff on changes ... Coordinates the planning and organization of technical and administrative meetings ...

  1. Process Coordination & Policy Officer | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Such liaison aims to ensure that the operational aspects and requirements are taken into account. ... Business Process Coordination and Change Management ... plan and coordinating the update of the Division's work plan by all managers; ...

  2. Parenting Coordinators' Practices Recommendations: A Qualitative Study

    OpenAIRE

    Hirsch, Barbara Phyllis

    2016-01-01

    This qualitative study used a phenomenological approach to understand the experiences of seven parenting coordinators in using parenting coordination practices that they have found to be effective and would recommend to other parenting coordinators to achieve the following goals: educating parents, increasing the quality of parenting and co-parenting, managing conflict, and involving children and other family members in the process of parenting coordination. Data were collected with semi-str...

  3. Complex variables

    CERN Document Server

    Flanigan, Francis J

    2010-01-01

    A caution to mathematics professors: Complex Variables does not follow conventional outlines of course material. One reviewer noting its originality wrote: ""A standard text is often preferred [to a superior text like this] because the professor knows the order of topics and the problems, and doesn't really have to pay attention to the text. He can go to class without preparation."" Not so here-Dr. Flanigan treats this most important field of contemporary mathematics in a most unusual way. While all the material for an advanced undergraduate or first-year graduate course is covered, discussion

  4. Insect bite reactions

    Directory of Open Access Journals (Sweden)

    Sanjay Singh

    2013-01-01

    Full Text Available Insects are a class of living creatures within the arthropods. Insect bite reactions are commonly seen in clinical practice. The present review touches upon the medically important insects and their places in the classification, the sparse literature on the epidemiology of insect bites in India, and different variables influencing the susceptibility of an individual to insect bites. Clinical features of mosquito bites, hypersensitivity to mosquito bites Epstein-Barr virus NK (HMB-EBV-NK disease, eruptive pseudoangiomatosis, Skeeter syndrome, papular pruritic eruption of HIV/AIDS, and clinical features produced by bed bugs, Mexican chicken bugs, assassin bugs, kissing bugs, fleas, black flies, Blandford flies, louse flies, tsetse flies, midges, and thrips are discussed. Brief account is presented of the immunogenic components of mosquito and bed bug saliva. Papular urticaria is discussed including its epidemiology, the 5 stages of skin reaction, the SCRATCH principle as an aid in diagnosis, and the recent evidence supporting participation of types I, III, and IV hypersensitivity reactions in its causation is summarized. Recent developments in the treatment of pediculosis capitis including spinosad 0.9% suspension, benzyl alcohol 5% lotion, dimethicone 4% lotion, isopropyl myristate 50% rinse, and other suffocants are discussed within the context of evidence derived from randomized controlled trials and key findings of a recent systematic review. We also touch upon a non-chemical treatment of head lice and the ineffectiveness of egg-loosening products. Knockdown resistance (kdr as the genetic mechanism making the lice nerves insensitive to permethrin is discussed along with the surprising contrary clinical evidence from Europe about efficacy of permethrin in children with head lice carrying kdr-like gene. The review also presents a brief account of insects as vectors of diseases and ends with discussion of prevention of insect bites and some

  5. CORDEX Coordinated Output for Regional Evaluation

    Science.gov (United States)

    Gutowski, William; Giorgi, Filippo; Lake, Irene

    2017-04-01

    The Science Advisory Team for the Coordinated Regional Downscaling Experiment (CORDEX) has developed a baseline framework of specified regions, resolutions and simulation periods intended to provide a foundation for ongoing regional CORDEX activities: the CORDEX Coordinated Output for Regional Evaluation, or CORDEX-CORE. CORDEX-CORE was conceived in part to be responsive to IPCC needs for coordinated simulations that could provide regional climate downscaling (RCD) that yields fine-scale climate information beyond that resolved by GCMs. For each CORDEX region, a matrix of GCM-RCD experiments is designed based on the need to cover as much as possible different dimensions of the uncertainty space (e.g., different emissions and land-use scenarios, GCMs, RCD models and techniques). An appropriate set of driving GCMs can allow a program of simulations that efficiently addresses key scientific issues within CORDEX, while facilitating comparison and transfer of results and lessons learned across different regions. The CORDEX-CORE program seeks to provide, as much as possible, homogeneity across domains, so it is envisioned that a standard set of regional climate models (RCMs) and empirical statistical downscaling (ESD) methods will downscale a standard set of GCMs over all or at least most CORDEX domains for a minimum set of scenarios (high and low end). The focus is on historical climate simulations for the 20th century and projections for 21st century, implying that data would be needed minimally for the period 1950-2100 (but ideally 1900-2100). This foundational ensemble can be regionally enriched with further contributions (additional GCM-RCD pairs) by individual groups over their selected domains of interest. The RCM model resolution for these core experiments will be in the range of 10-20 km, a resolution that has been shown to provide substantial added value for a variety of climate variables and that represents a significant forward step compared in the CORDEX

  6. A Dynamic Coordination Mechanism Using Adjustable Autonomy

    NARCIS (Netherlands)

    Neef, R.M.; Vecht, B. van der; Dignum, F.; Meyer, J.J.C.

    2008-01-01

    Agents in an organization need to coordinate their actions in order to reach the organizational goals. This research describes the relation between types of coordination and the autonomy of actors. In an experimental setting we show that there is not one best way to coordinate in all situations. The

  7. A Dynamic Coordination Mechanism Using Adjustable Autonomy

    NARCIS (Netherlands)

    Vecht, B. van der; Dignum, F.; Meyer, J.J.C.; Neef, R.M.

    2007-01-01

    Agents in an organization need to coordinate their actions in order to reach the organizational goals. This research describes the relation between types of coordination and the autonomy of actors. In an experimental setting we show that there is not one best way to coordinate in all situations. The

  8. 45 CFR 1310.23 - Coordinated transportation.

    Science.gov (United States)

    2010-10-01

    ... 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 transportation...

  9. The unified coordination language UnCL.

    NARCIS (Netherlands)

    F.S. de Boer (Frank); J.V. Guillen Scholten (Juan); J.F. Jacob (Joost)

    2005-01-01

    textabstractIn this paper we show how to use a (subset) of UML as an Unified Coordination Language (UnCL) that is based on a separation of concerns between coordination and computation. As such UnCL provides a general language for the coordination of, in particular, object-oriented applications. The

  10. A Note on the Dipole Coordinates

    OpenAIRE

    Kageyama, Akira; Sugiyama, Tooru; Watanabe, Kunihiko; Sato, Tetsuya

    2004-01-01

    A couple of orthogonal coordinates for dipole geometry are proposed for numerical simulations of plasma geophysics in the Earth's dipole magnetic field. These coordinates have proper metric profiles along field lines in contrast to the standard dipole coordinate system that is commonly used in analytical studies for dipole geometry.

  11. Optimization of strong and weak coordinates

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

  12. 47 CFR 27.57 - International coordination.

    Science.gov (United States)

    2010-10-01

    ... 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... 47 Telecommunication 2 2010-10-01 2010-10-01 false International coordination. 27.57 Section 27.57...

  13. 40 CFR 109.6 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA FOR STATE, LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination...

  14. 49 CFR 214.325 - Train coordination.

    Science.gov (United States)

    2010-10-01

    ..., 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... 49 Transportation 4 2010-10-01 2010-10-01 false Train coordination. 214.325 Section 214.325...

  15. Computation at a coordinate singularity

    Science.gov (United States)

    Prusa, Joseph M.

    2018-05-01

    Coordinate singularities are sometimes encountered in computational problems. An important example involves global atmospheric models used for climate and weather prediction. Classical spherical coordinates can be used to parameterize the manifold - that is, generate a grid for the computational spherical shell domain. This particular parameterization offers significant benefits such as orthogonality and exact representation of curvature and connection (Christoffel) coefficients. But it also exhibits two polar singularities and at or near these points typical continuity/integral constraints on dependent fields and their derivatives are generally inadequate and lead to poor model performance and erroneous results. Other parameterizations have been developed that eliminate polar singularities, but problems of weaker singularities and enhanced grid noise compared to spherical coordinates (away from the poles) persist. In this study reparameterization invariance of geometric objects (scalars, vectors and the forms generated by their covariant derivatives) is utilized to generate asymptotic forms for dependent fields of interest valid in the neighborhood of a pole. The central concept is that such objects cannot be altered by the metric structure of a parameterization. The new boundary conditions enforce symmetries that are required for transformations of geometric objects. They are implemented in an implicit polar filter of a structured grid, nonhydrostatic global atmospheric model that is simulating idealized Held-Suarez flows. A series of test simulations using different configurations of the asymptotic boundary conditions are made, along with control simulations that use the default model numerics with no absorber, at three different grid sizes. Typically the test simulations are ∼ 20% faster in wall clock time than the control-resulting from a decrease in noise at the poles in all cases. In the control simulations adverse numerical effects from the polar

  16. Application coordination in pervasive systems

    CERN Document Server

    Majuntke, Verena Elisabeth

    2013-01-01

    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

  17. Coordination compounds in nuclear medicine

    International Nuclear Information System (INIS)

    Jurisson, S.; Berning, D.; Wei Jia; Dangshe Ma

    1993-01-01

    Radiopharmaceuticals, drugs containing a radionuclide, are used routinely in nuclear medicine departments for the diagnosis of disease and are under investigation for use in the treatment of disease. Nuclear medicine takes advantage of both the nuclear properties of the radionuclide and the pharmacological properties of the radiopharmaceutical. Herein lies the real strength of nuclear medicine, the ability to monitor biochemical and physiological functions in vivo. This review discusses the coordination chemistry that forms the basis for nuclear medicine applications of the FDA-approved radiopharmaceuticals that are in clinical use, and of the most promising diagnostic and therapeutic radiopharmaceuticals that are in various stages of development. 232 refs

  18. Coordinated hybrid automatic repeat request

    KAUST Repository

    Makki, Behrooz

    2014-11-01

    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.

  19. genetic variability among landraces of sesame in ethiopia abstract

    African Journals Online (AJOL)

    journal

    Modified Rogers' Distances (MRD) and a principal coordinate analysis based on a ... Moreover, existence of great genetic variability between the landraces is a good starting point of sesame ...... among and within CIMMYT wheat landrace.

  20. A study on sodium-concrete reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Jae Heum; Min, Byong Hun [Suwon University, Suwon (Korea, Republic of)

    1997-07-01

    A small sodium-concrete reaction facility was designed, manufactured and installed. this facility has been operated under inert gas(N{sub 2}) with different experimental variables such as sodium injection temperature, injection amount of sodium, aging period of concrete, sodium reservoir temperature. As a result, it was found that sodium injection temperature and injected amount of sodium has little effect on sodium-concrete reaction. However, sodium reservoir temperature and aging period of concrete has relatively high impact on sodium-concrete reaction. Sodium-concrete reaction model has also been developed and compared with experimental results. (Author) 51 refs., 16 tabs., 64 figs.

  1. Unpacking Coordination Benefits in Supply Networks

    DEFF Research Database (Denmark)

    Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai

    2016-01-01

    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....

  2. Syntheses, structures, and magnetic properties of cobalt(II) and nickel(II) coordination polymers based on a V-shaped ligand

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Shuang [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Yi, Fei-Yan [The School of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211 (China); Li, Guanghua [State Key Laboratory of Inorganic Synthesis & Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Yu, Yang [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Wang, Jing-yuan, E-mail: jywang@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences, 29 Zhongguancun East Road, Haidian District, Beijing 100190 (China); Liu, Dan, E-mail: liudan2007@ciac.ac.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Song, Shu-Yan [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China)

    2017-06-15

    Two coordination polymers [Co{sub 2}(TA)(4,4′-bipy){sub 2}(H{sub 2}O){sub 2}]·H{sub 2}O (1) and [Ni{sub 2}(TA)(4,4′-bipy){sub 2}(H{sub 2}O){sub 4}]·3H{sub 2}O (2) were prepared by hydrothermal reactions of MCl{sub 2}·6H{sub 2}O (M = Co, Ni) with a V-shaped ligand TDPA (3,3′,4,4′-thiodiphthalic anhydride) and a I-shaped N-donor co-ligand (4,4′-bipy). They were characterized by elemental analyses, thermogravinetric analyses, and magnetic behavior. As is expected, TDPA hydrolyzes into the corresponding tetra-carboxylate acid H{sub 4}TA (3,3′,4,4′-thiodiphthalic acid) during the reactions. Co{sub 2} dimer and Ni mononuclear center are connected into two-dimensional (2D) layers by H{sub 4}TA and 4,4′-bipy bridge in 1 and 2, respectively. The most amazing feature is that 1 and 2 exhibit interesting spin-canting metamagnetism and weak ferromagnetic behavior, respectively, with the critical Néel temperature of T{sub N} =4 K for 1 and T{sub N} =13 K for 2, based on variable temperature magnetic susceptibility measurements. In low mono- or dinuclear metal system, such magnetic behaviors have rare been observed. Furthermore, complex 1 will be a potential metamagnet material. - Graphical abstract: Two Co(II) and Ni(II) coordination polymers were synthesized by hydrothermal reactions from a V-shape ligand (3,3′,4,4′-thiodiphthalic anhydride) and a I-shape ligand (4,4′-bipy), which were characterized by single crystal X-ray diffraction, elemental analyses, thermogravinetric analyses, and magnetic behavior, and exhibit interesting spin-canting metamagnetism and weak ferromagnetic behavior, respectively. - Highlights: • Two Co(II) and Ni(II) coordination polymers were successfully synthesized. • Co(II) coordination polymer shows an interesting spin-canting metamagnetism. • Ni(II) coordination polymer exhibits a weak ferromagnetic behavior.

  3. Coordinated research projects (CRP). Coordinated research project (CRP)

    International Nuclear Information System (INIS)

    Takagi, Hidekazu; Koike, Fumihiro; Nakamura, Nobuyuki

    2013-01-01

    In the present paper, the contribution of Japanese scientists in coordinated research projects on thermonuclear fusion. Representative subjects taken in seven projects are the precise computation of theoretical data on electron-molecule collisions in the peripheral plasma, the computation of spectroscopic data of multi-charged tungsten ions, the spectroscopic measurement of multi-charged tungsten ions using an ion trap device, the development of collisional-radiative model for plasmas including hydrogen and helium, the computational and theoretical studies on the behavior of tungsten and beryllium in the plasma-wall interaction, the study on the property of dusts generated in fusion devices. These subjects are those of most important issues in ITER. (author)

  4. Linear perturbation of spherically symmetric flows: a first-order upwind scheme for the gas dynamics equations in Lagrangian coordinates; Perturbation lineaire d'ecoulements a symetrie spherique: schema decentre d'ordre 1 pour les equations de la dynamique des gaz en variables de Lagrange

    Energy Technology Data Exchange (ETDEWEB)

    Clarisse, J.M

    2007-07-01

    A numerical scheme for computing linear Lagrangian perturbations of spherically symmetric flows of gas dynamics is proposed. This explicit first-order scheme uses the Roe method in Lagrangian coordinates, for computing the radial spherically symmetric mean flow, and its linearized version, for treating the three-dimensional linear perturbations. Fulfillment of the geometric conservation law discrete formulations for both the mean flow and its perturbation is ensured. This scheme capabilities are illustrated by the computation of free-surface mode evolutions at the boundaries of a spherical hollow shell undergoing an homogeneous cumulative compression, showing excellent agreement with reference results. (author)

  5. Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Xun [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Liu, Jing [College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001 (China); College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Li, Jin; Ma, Lu-Fang [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Wang, Li-Ya, E-mail: wlya@lynu.edu.cn [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang 473601 (China); Ng, Seik-Weng [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 80203 (Saudi Arabia); Qin, Guo-Zhan [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China)

    2015-10-15

    Reactions between later metal salts and conjugational N-hetrocyclic sulfonate/ carboxylic acid under the presence of bipyridyl auxiliary ligands afforded a series of manganese, nickel, zinc, silver, cadmium coordination polymers bearing with phenyl pendant arm attached to quinoline skeletons, and they have been characterized by elements analysis, thermogravimetry, infrared spectroscopy and single-crystal X-ray diffraction studying. The series of polymers show interesting structural diversity in coordination environment, dimensions and topologies. They are all built from 2-D networks constructed from metal cluster through sulfonate or carboxylate groups, as the secondary building unit (SBU). The thermalgravimetric analyses show that they display framework stabilities in solid state. Variable-temperature magnetic susceptibility studies reveal the existence of antiferromagnetic interactions between adjacent Mn (II) ions in 1, and ferromagnetic interactions between Ni(II) ions for 2, respectively. The photo-luminescence properties of 3-5 have also been investigated systemically. - Highlights: • A series of coordination polymers based on later transition metal ions have been obtained. • They contain conjugational N-hetrocyclic sulfonate-carboxylic acid and bipyridyl auxiliary ligands. • They have been characterized systemically. • They exhibit structure diversity and interesting properties.

  6. Intra- and inter-subject variation in lower limb coordination during countermovement jumps in children and adults

    DEFF Research Database (Denmark)

    Raffalt, Peter C; Alkjær, Tine; Simonsen, Erik B

    2016-01-01

    -subject variability. Based on these results, it was concluded that the same movement solutions were available to both age groups, but the children were less able to consistently utilize the individually chosen coordination pattern. Thus, this ability appears to be developed through normal ontogenesis.......The purpose of the present study was to investigate the coordination pattern and coordination variability (intra-subject and inter-subject) in children and adults during vertical countermovement jumps. Ten children (mean age: 11.5±1.8years) and ten adults (mean age: 26.1±4.9years) participated...... in the experiment. Lower body 3D-kinematics and kinetics from both legs were obtained during 9 vertical jumps of each subject. Coordination pattern and coordination variability of intra-limb and inter-limb coupling were established by modified vector coding and continuous relative phase. The adult group jumped...

  7. Coordinating International Response to Emergencies

    International Nuclear Information System (INIS)

    Bice, S. D.

    2007-01-01

    Pandemic disease, natural disasters and terrorism can affect thousands of people in a relatively short period of time anywhere in the world. Our recent international experience with hurricanes, earthquakes, tsunamis and infectious diseases (AIDS, TB and highly pathogenic avian influenza) show us that we must respond with a coordinated approach or we will fail the very people we intend to help. Nations from around the world are often eager to send assistance to the site of a disaster, but coordinating the incoming aid is more often flawed and imprecise than it must be in order to save lives and mitigate suffering. How can any one country, suffering from a horrendous calamity coordinate the incoming aid from around the world? Can any one agency hope to coordinate the myriad nation's response let alone that of the hundreds of non-governmental organizations? Currently, the answer is sadly, no. The purpose of this presentation is not to recommend one over the many international bodies which claim to oversee humanitarian assistance; the purpose of this presentation is to discuss the elements of only one aspect of the overall response effort: public health and medical response coordination. Public health response is of course different than a purely medical response. Traditionally, in a natural disaster, immediate public health concerns center around water, sewerage/waste disposal, potential for disease outbreaks, etc, whereas medical response concentrates on triage, saving those who can be saved, patching up the injured, and to a lesser extent, primary care to the survivors. In order to avoid political controversy, this presentation will use the example of Hurricane Iniki in Hawaii, September 1992, to illustrate key concepts. The State of Hawaii is no stranger to natural disasters. Their emergency response mechanisms are well honed, exercised and quite capable. However, the local community leaders on Kauai Island went thru each of the following phases before they

  8. Biocultural Predictors of Motor Coordination Among Prepubertal Boys and Girls.

    Science.gov (United States)

    Luz, Leonardo G O; Valente-Dos-Santos, João; Luz, Tatiana D D; Sousa-E-Silva, Paulo; Duarte, João P; Machado-Rodrigues, Aristides; Seabra, André; Santos, Rute; Cumming, Sean P; Coelho-E-Silva, Manuel J

    2018-02-01

    This study aimed to predict motor coordination from a matrix of biocultural factors for 173 children (89 boys, 84 girls) aged 7-9 years who were assessed with the Körperkoordinationtest für Kinder test battery. Socioeconomic variables included built environment, area of residence, mother's educational level, and mother's physical activity level (using the International Physical Activity Questionnaire [short version]). The behavioral domain was marked by participation in organized sports and habitual physical activity measured by accelerometers ( ActiGraph GT1M). Indicators of biological development included somatic maturation and body mass index. Among males, the best logistic regression model to explain motor coordination (Nagelkerke R 2   = 50.8; χ 2  = 41.166; p girls, the best logistic regression to explain motor coordination (Nagelkerke R 2   = 40.8; χ 2  = 29.933; p physical activity level (OR = 0.183). This sex-specific, ecological approach to motor coordination proficiency may help promote physical activity during prepubertal years through familiar determinants.

  9. Functional coordination of muscles underlying changes in behavioural dynamics.

    Science.gov (United States)

    Vernooij, Carlijn A; Rao, Guillaume; Perdikis, Dionysios; Huys, Raoul; Jirsa, Viktor K; Temprado, Jean-Jacques

    2016-06-10

    The dynamical systems approach addresses Bernstein's degrees of freedom problem by assuming that the neuro-musculo-skeletal system transiently assembles and dismantles its components into functional units (or synergies) to meet task demands. Strikingly, little is known from a dynamical point of view about the functioning of the muscular sub-system in this process. To investigate the interaction between the dynamical organisation at muscular and behavioural levels, we searched for specific signatures of a phase transition in muscular coordination when a transition is displayed at the behavioural level. Our results provide evidence that, during Fitts' task when behaviour switches to a different dynamical regime, muscular activation displays typical signatures of a phase transition; a reorganisation in muscular coordination patterns accompanied by a peak in the variability of muscle activation. This suggests that consistent changes occur in coordination processes across the different levels of description (i.e., behaviour and muscles). Specifically, in Fitts' task, target size acts as a control parameter that induces a destabilisation and a reorganisation of coordination patterns at different levels of the neuro-musculo-skeletal system.

  10. Motor coordination and visual information processing in high school students at risk of developmental coordination disorder: Two year follow-up study

    Directory of Open Access Journals (Sweden)

    Rudolf Psotta

    2014-03-01

    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. Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation.

    Science.gov (United States)

    Kawai, Shinnosuke; Komatsuzaki, Tamiki

    2009-12-14

    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.

  12. Coordinated control of electrical drives

    International Nuclear Information System (INIS)

    Keresztely, S.

    1983-01-01

    The control system developed for the fuel handling machine of nuclear power plants contains seven microcomputers. Redundant hardware and software structure ensures high reliability and availability. The sensors are doubled and each set is connected to its own microcomputer for evaluation of measurements. The control program, coordinating seven electrical drives, is run on two identical microcomputers, and has access to both sets of measurement results. Two control desks are provided. The seventh microcomputer generates the digital picture of the working site around the actual position and the picture is sent to color TV monitors at the control desks. System reliability: failure of any part of the system causes an error message and no action. System availability: for emergency purposes, one of every pair of the identical subsystems must be operational. In this emergency mode unconditional reliability is lost. (author)

  13. Coordination control of distributed systems

    CERN Document Server

    Villa, Tiziano

    2015-01-01

    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...

  14. Coordinating towards a Common Good

    Science.gov (United States)

    Santos, Francisco C.; Pacheco, Jorge M.

    2010-09-01

    Throughout their life, humans often engage in collective endeavors ranging from family related issues to global warming. In all cases, the tragedy of the commons threatens the possibility of reaching the optimal solution associated with global cooperation, a scenario predicted by theory and demonstrated by many experiments. Using the toolbox of evolutionary game theory, I will address two important aspects of evolutionary dynamics that have been neglected so far in the context of public goods games and evolution of cooperation. On one hand, the fact that often there is a threshold above which a public good is reached [1, 2]. On the other hand, the fact that individuals often participate in several games, related to the their social context and pattern of social ties, defined by a social network [3, 4, 5]. In the first case, the existence of a threshold above which collective action is materialized dictates a rich pattern of evolutionary dynamics where the direction of natural selection can be inverted compared to standard expectations. Scenarios of defector dominance, pure coordination or coexistence may arise simultaneously. Both finite and infinite population models are analyzed. In networked games, cooperation blooms whenever the act of contributing is more important than the effort contributed. In particular, the heterogeneous nature of social networks naturally induces a symmetry breaking of the dilemmas of cooperation, as contributions made by cooperators may become contingent on the social context in which the individual is embedded. This diversity in context provides an advantage to cooperators, which is particularly strong when both wealth and social ties follow a power-law distribution, providing clues on the self-organization of social communities. Finally, in both situations, it can be shown that individuals no longer play a defection dominance dilemma, but effectively engage in a general N-person coordination game. Even if locally defection may seem

  15. Ectopic decidual reaction mimicking inguinal lymphoma on ultrasound

    DEFF Research Database (Denmark)

    Lorentzen, C.; Prangsgaard, Tina; Lorentzen, Torben

    2014-01-01

    Ectopic decidual reaction has been described in various intraperitoneal locations. We present a case of unusual ectopic decidual reaction in the groin mimicking inguinal lymphoma on ultrasound in a pregnant woman. This case contributes evidence illustrating the variability of the clinical...... presentation of ectopic decidual reaction....

  16. Variable collimator

    International Nuclear Information System (INIS)

    Richey, J.B.; McBride, T.R.; Covic, J.

    1979-01-01

    This invention describes an automatic variable collimator which controls the width and thickness of X-ray beams in X-ray diagnostic medical equipment, and which is particularly adapted for use with computerized axial tomographic scanners. A two-part collimator is provided which shapes an X-ray beam both prior to its entering an object subject to radiographic analysis and after the attenuated beam has passed through the object. Interposed between a source of radiation and the object subject to radiographic analysis is a first or source collimator. The source collimator causes the X-ray beam emitted by the source of radiation to be split into a plurality of generally rectangular shaped beams. Disposed within the source collimator is a movable aperture plate which may be used to selectively vary the thickness of the plurality of generally rectangular shaped beams transmitted through the source collimator. A second or receiver collimator is interposed between the object subject to radiographic analysis and a series of radiation detectors. The receiver collimator is disposed to receive the attenuated X-ray beams passing through the object subject to radiographic analysis. Located within the receiver collimator are a plurality of movable aperture plates adapted to be displaced relative to a plurality of fixed aperture plates for the purpose of varying the width and thickness of the attenuated X-ray beams transmitted through the object subject to radiographic analysis. The movable aperture plates of the source and receiver collimators are automatically controlled by circuitry which is provided to allow remote operation of the movable aperture plates

  17. Phase space dynamics and collective variable fluctuations

    International Nuclear Information System (INIS)

    Benhassine, B.; Farine, M.; Idier, D.; Remaud, B.; Sebille, F.; Schuck, P.

    1995-01-01

    A dynamical study of collective variable fluctuations in heavy ion reactions is performed within the framework of the Boltzmann-Langevin theory. A general method to extract dispersions on collective variables from numerical simulations based on test particles models is presented and its validity is checked by comparison with analytical equilibrium results. (authors)

  18. Phase space dynamics and collective variable fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Benhassine, B.; Farine, M.; Idier, D.; Remaud, B.; Sebille, F. [Laboratoire de Physique Nucleaire de Nantes, 44 (France); Schuck, P. [Institut des Sciences Nucleaires, 38 - Grenoble (France)

    1995-12-31

    A dynamical study of collective variable fluctuations in heavy ion reactions is performed within the framework of the Boltzmann-Langevin theory. A general method to extract dispersions on collective variables from numerical simulations based on test particles models is presented and its validity is checked by comparison with analytical equilibrium results. (authors) 10 refs.

  19. Advances in Solid-State Transformations of Coordination Bonds: From the Ball Mill to the Aging Chamber

    Directory of Open Access Journals (Sweden)

    Cristina Mottillo

    2017-01-01

    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.

  20. Definition of coordinate system for three-dimensional data analysis in the foot and ankle.

    LENUS (Irish Health Repository)

    Green, Connor

    2012-02-01

    BACKGROUND: Three-dimensional data is required to have advanced knowledge of foot and ankle kinematics and morphology. However, studies have been difficult to compare due to a lack of a common coordinate system. Therefore, we present a means to define a coordinate frame in the foot and ankle and its clinical application. MATERIALS AND METHODS: We carried out ten CT scans in anatomically normal feet and segmented them in a general purpose segmentation program for grey value images. 3D binary formatted stereolithography files were then create and imported to a shape analysis program for biomechanics which was used to define a coordinate frame and carry out morphological analysis of the forefoot. RESULTS: The coordinate frame had axes standard deviations of 2.36 which are comparable to axes variability of other joint coordinate systems. We showed a strong correlation between the lengths of the metatarsals within and between the columns of the foot and also among the lesser metatarsal lengths. CONCLUSION: We present a reproducible method for construction of a coordinate system for the foot and ankle with low axes variability. CLINICAL RELEVANCE: To conduct meaningful comparison between multiple subjects the coordinate system must be constant. This system enables such comparison and therefore will aid morphological data collection and improve preoperative planning accuracy.

  1. Control coordination abilities in shock combat sports

    Directory of Open Access Journals (Sweden)

    Natalya Boychenko

    2014-12-01

    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.

  2. Photoactive devices including porphyrinoids with coordinating additives

    Science.gov (United States)

    Forrest, Stephen R; Zimmerman, Jeramy; Yu, Eric K; Thompson, Mark E; Trinh, Cong; Whited, Matthew; Diev, Vlacheslav

    2015-05-12

    Coordinating additives are included in porphyrinoid-based materials to promote intermolecular organization and improve one or more photoelectric characteristics of the materials. The coordinating additives are selected from fullerene compounds and organic compounds having free electron pairs. Combinations of different coordinating additives can be used to tailor the characteristic properties of such porphyrinoid-based materials, including porphyrin oligomers. Bidentate ligands are one type of coordinating additive that can form coordination bonds with a central metal ion of two different porphyrinoid compounds to promote porphyrinoid alignment and/or pi-stacking. The coordinating additives can shift the absorption spectrum of a photoactive material toward higher wavelengths, increase the external quantum efficiency of the material, or both.

  3. Hamiltonization of theories with degenerate coordinates

    International Nuclear Information System (INIS)

    Gitman, D.M.; Tyutin, I.V.

    2002-01-01

    We consider a class of Lagrangian theories where part of the coordinates does not have any time derivatives in the Lagrange function (we call such coordinates degenerate). We advocate that it is reasonable to reconsider the conventional definition of singularity based on the usual Hessian and, moreover, to simplify the conventional hamiltonization procedure. In particular, in such a procedure, it is not necessary to complete the degenerate coordinates with the corresponding conjugate momenta

  4. Hamiltonization of theories with degenerate coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Gitman, D.M. E-mail: gitman@fma.if.usp.br; Tyutin, I.V. E-mail: tyutin@lpi.ru

    2002-05-27

    We consider a class of Lagrangian theories where part of the coordinates does not have any time derivatives in the Lagrange function (we call such coordinates degenerate). We advocate that it is reasonable to reconsider the conventional definition of singularity based on the usual Hessian and, moreover, to simplify the conventional hamiltonization procedure. In particular, in such a procedure, it is not necessary to complete the degenerate coordinates with the corresponding conjugate momenta.

  5. Convergence of barycentric coordinates to barycentric kernels

    KAUST Repository

    Kosinka, Jiří

    2016-02-12

    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.

  6. Convergence of barycentric coordinates to barycentric kernels

    KAUST Repository

    Kosinka, Jiří ; Barton, Michael

    2016-01-01

    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.

  7. Knowledge coordination in distributed software management

    DEFF Research Database (Denmark)

    Persson, John Stouby; Mathiassen, Lars

    2012-01-01

    Software organizations are increasingly relying on cross-organizational and cross-border collaboration, requiring effective coordination of distributed knowledge. However, such coordination is challenging due to spatial separation, diverging communities-of-practice, and unevenly distributed...... communication breakdowns on recordings of their combined teleconferencing and real-time collaborative modeling. As a result, we offer theoretical propositions that explain how distributed software managers can deal with communication breakdowns and effectively coordinate knowledge through multimodal virtual...

  8. Group Coordination Support in Networked Multimedia Systems

    National Research Council Canada - National Science Library

    Dommel, Hans-Peter

    1999-01-01

    .... In this dissertation, we address network control and coordination functions to orchestrate synchronous multimedia groupwork, establishing a sharing discipline on multimedia resources and guaranteeing...

  9. EPOS for Coordination of Asynchronous Sensor Webs

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop, integrate, and deploy software-based tools to coordinate asynchronous, distributed missions and optimize observation planning spanning simultaneous...

  10. Quantization in rotating co-ordinates revisited

    International Nuclear Information System (INIS)

    Hussain, F.; Qadir, A.

    1982-07-01

    Recent work on quantization in rotating co-ordinates showed that no radiation would be seen by an observer rotating with a constant angular speed. This work used a Galilean-type co-ordinate transformation. We show that the same result holds for a Lorentz-type co-ordinate system, in spite of the fact that the metric has a co-ordinate singularity at rΩ = 1. Further, we are able to define positive and negative energy modes for a particular case of a non-static, non-stationary metric. (author)

  11. Preparation and characterization of high performance NBR/cobalt (II) chloride coordination composites

    Science.gov (United States)

    Shang, Peng; Shao, Chengli; Li, Qiqing; Wu, Chifei

    2018-02-01

    Acrylonitrile-butadiene rubber (NBR) composites filled with Cobalt (II) Chloride (CoCl2) particles were prepared by a solvent dispersion method. Acetone was selected as solvent for NBR and CoCl2. To directly enhance the interaction between NBR and CoCl2, a coordination reaction was generated by hot pressing at 200 °C. Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible spectroscopy (UV-vis), and x-ray photoelectron spectroscopy (XPS) were employed to investigate the coordination reaction. Results showed that the coordination reaction occurred between the nitrile groups (-CN) of NBR and cobalt ions (Co2+) of CoCl2. Compared with the properties of pure NBR, the tensile strength of NBR/CoCl2 composites filled with 10 parts per hundreds of rubber (phr) CoCl2 increased 2200%. Scanning electron microscopy (SEM) indicated that the CoCl2 particles were dispersed in the NBR matrix homogeneously. The indistinguishable interface between CoCl2 particles and NBR matrix indicated good compatibility. Additionally, thermogravimetric analysis (TGA) showed that coordination reaction improved heat resistance of NBR matrix.

  12. Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer

    KAUST Repository

    Kole, Goutam Kumar Umar

    2010-01-01

    A solvent-free porous metal organic framework is constructed by the 3D entanglement of 1D zigzag coordination polymeric chains. The role of solvents and the effect of reaction conditions on such unique entanglement are addressed. © 2010 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

  13. A simplified generator coordinate treatment with analytical projected-BCS solutions for isovector pairing collective motions

    International Nuclear Information System (INIS)

    Kyotoku, M.; Chen, H.T.

    1979-01-01

    Analytical expressions for the projected-BCS energies and reaction transition rates among the isovector pairing collective states are obtained by the recognition of symmetry properties in a class of BCS wave functions. As a consequence, a simplified generator coordinate treatment is suggested [pt

  14. Measurement, calculation and evaluation of photon production data. Final report of a coordinated research project

    International Nuclear Information System (INIS)

    Oblozinsky, P.; Dietrich, F.S.; Mengoni, A.

    1999-12-01

    The report summarizes results of the Coordinated Research Project (CRP) devoted to photon preduction in neutron-induced reactions. The report presents 25 original contributions that reflect accomplishments achieved in measurement, calculation and evaluation of photon production under the project in 1994-1997. Major results are highlighted and a list of the CRP publications is given. (author)

  15. Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer

    KAUST Repository

    Kole, Goutam Kumar Umar; Cairns, Amy J.; Eddaoudi, Mohamed; Vittal, Jagadese J.

    2010-01-01

    A solvent-free porous metal organic framework is constructed by the 3D entanglement of 1D zigzag coordination polymeric chains. The role of solvents and the effect of reaction conditions on such unique entanglement are addressed. © 2010 The Royal

  16. Reduction in ground reaction force variables with instructed barefoot running

    Directory of Open Access Journals (Sweden)

    Cynthia D. Samaan

    2014-06-01

    Conclusion: As impact loading has been associated with certain running-related injuries, instruction and feedback on the proper forefoot strike pattern may help reduce the injury risk associated with transitioning to BF running.

  17. In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Han, Yinfeng, E-mail: hanyinfeng@gmail.com; Wang, Chang' an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping

    2015-07-15

    Two coordination polymers, ([Mn{sub 2}(L1){sub 2}(μ{sub 2}-H{sub 2}O)(H{sub 2}O){sub 4}]·5H{sub 2}O){sub n}1 and ([Ni(L1)(H{sub 2}O){sub 2}]·2H{sub 2}O){sub n}2 (H{sub 2}L1=2,2′-dithiobisnicotinic acid), were prepared by the solvothermal reactions of the Mn(II) or Ni(II) ions with 2-mercaptonanicotinic acid. In 1, the [Mn{sub 2}(COO){sub 4}] units are connected by the 2,2′-dithiobisnicotinic dianion to form a two-dimensional (4,4)-connected network. In 2, the adjacent Ni(II) ions are connected by the carboxyl groups of the 2,2′-dithiobisnicotinic dianion to form an one-dimensional inorganic rod-shaped chain [Ni(COO){sub 2}]{sub n}, which are further interconnected by the 2,2′-dithiobisnicotinic ligand, giving rise to a two-dimensional framework. Variable-temperature magnetic susceptibilities of 1 and 2 exhibit overall weak antiferromagnetic coupling between the adjacent metal ions. - Graphical abstract: Two 2D coordination polymers were synthesized by transition-metal/in-situ oxidation of 2-mercaptonicotinic acid. The compounds pack into 2D frameworks by the carboxyl groups of 2,2′-dithiobisnicotinic dianion and exhibit overall weak antiferromagnetic coupling. - Highlights: • Two 2D coordination polymers containing 2,2′-dithiobisnicotinic dianion. • In situ oxidation and dehydro coupling reaction of 2-mercaptonbenzoic acid. • Two compounds display weak antiferromagnetic exchanges.

  18. Coordinating with the "Inner GPS".

    Science.gov (United States)

    Fenton, André A

    2015-06-01

    The 2014 Nobel Prize for Physiology or Medicine was awarded for the discoveries that have elucidated the components of the internal positioning system that is centered on the hippocampus and entorhinal cortex. Here I provide a less than objective discussion of the importance of these accomplishments to systems neuroscience. By identifying positioning components like place, direction, distance, borders and the like, the field is given the opportunity to have a shot at piecing together how these components are integrated into the synthetic positioning sense. We are also given what is in my view, the most experimentally accessible and therefore potentially understandable, cognitive representation. Lest we feel too confident in the completeness of our understanding, and to inspire redoubled curiosity, I briefly describe a preliminary observation from our work with the psychosis-inducing drug phencyclidine (PCP). While PCP does not disturb where individual place cells fire, it dramatically discoordinates how these cells discharge together in time. Trying to understand how the positioning component cells are coordinated to provide useful knowledge is an exciting and tenable problem to be working on. © 2015 Wiley Periodicals, Inc.

  19. Synthesis and characterization of five-coordinated indium amidinates

    Energy Technology Data Exchange (ETDEWEB)

    Riahi, Yasaman

    2016-07-29

    The focus of this work is synthesis, characterization and exploring the reactivity of new indium amidinate compounds of the type R{sub 2}InX (R = R''NCR'NR''; R' = Ph, R'' = SiMe{sub 3}, iPr, dipp; X = Br, Cl) with the coordination number of five and R{sub 3}In (R = Me{sub 3}SiNCPhNSiMe{sub 3}) with the coordination number of six. By using amidinates as chelating ligands the electron deficiency of indium atom will be resolved. Additionally, by using different substituents the study of the different synthesized indium amidinates has become possible. The selected method for the synthesis allows the carbodiimides to react with organolithium compounds to get the corresponding lithium amidinates. Afterwards the resulting lithium amidinates take part in transmetalation reactions with InBr{sub 3} and InCl{sub 3}. The study of the reactivity of indium amidinate complexes including nucleophilic reactions as well as their reduction were also examined. Beside crystal structure analysis, nuclear magnetic resonance spectroscopy as well as elemental analysis has been applied to characterize the compounds.

  20. Competing irreversible cooperative reactions on polymer chains

    International Nuclear Information System (INIS)

    Evans, J.W.; Hoffman, D.K.; Burgess, D.R.

    1984-01-01

    We analyze model processes involving competition between several irreversible reactions at the sites of a 1D, infinite, uniform polymer chain. These reactions can be cooperative, i.e., the corresponding rates depend on the state of the surrounding sites. An infinite hierarchy of rate equations is readily derived for the probabilities of various subconfigurations. By exploiting a shielding property of suitable blocks of unreacted sites, we show how exact hierarchy truncation and solution is sometimes possible. The behavior of solutions is illustrated in several cases by plotting families of ''reaction trajectories'' for varying ratios of reactant concentrations. As a specific application, we consider competition between coordination of ZnCl 2 to pairs of oxygen atoms and to single oxygen atoms in poly(propylene oxide). The observed glass transition temperature behavior is eludicated

  1. The Reaction of Oxy Hemoglobin with Nitrite

    DEFF Research Database (Denmark)

    Hathazi, Denisa; Scurtu, Florina; Bischin, Cristina

    2018-01-01

    The autocatalytic reaction between nitrite and the oxy form of globins involves free radicals. For myoglobin (Mb), an initial binding of nitrite to the iron-coordinated oxygen molecule was proposed; the resulting ferrous-peroxynitrate species was not detected, but its decay product, the high...... to a simple kinetic model involving a transient met-aqua form, in contrast to the ferryl detected in the case of Mb in a similar reaction sequence. These data are in line with a previous observation of a transient accumulation of ferryl Hb under auto-catalytic conditions at much lower concentrations......-peroxynitrate. Density functional theory (DFT) calculations support this latter assignment. The reaction allows for differentiating between the reactivities of various chemically modified hemoglobins, including candidates for blood substitutes. Polymerization of hemoglobin slows the nitrite-induced oxidation, in sharp...

  2. Biomarkers of adverse drug reactions.

    Science.gov (United States)

    Carr, Daniel F; Pirmohamed, Munir

    2018-02-01

    Adverse drug reactions can be caused by a wide range of therapeutics. Adverse drug reactions affect many bodily organ systems and vary widely in severity. Milder adverse drug reactions often resolve quickly following withdrawal of the casual drug or sometimes after dose reduction. Some adverse drug reactions are severe and lead to significant organ/tissue injury which can be fatal. Adverse drug reactions also represent a financial burden to both healthcare providers and the pharmaceutical industry. Thus, a number of stakeholders would benefit from development of new, robust biomarkers for the prediction, diagnosis, and prognostication of adverse drug reactions. There has been significant recent progress in identifying predictive genomic biomarkers with the potential to be used in clinical settings to reduce the burden of adverse drug reactions. These have included biomarkers that can be used to alter drug dose (for example, Thiopurine methyltransferase (TPMT) and azathioprine dose) and drug choice. The latter have in particular included human leukocyte antigen (HLA) biomarkers which identify susceptibility to immune-mediated injuries to major organs such as skin, liver, and bone marrow from a variety of drugs. This review covers both the current state of the art with regard to genomic adverse drug reaction biomarkers. We also review circulating biomarkers that have the potential to be used for both diagnosis and prognosis, and have the added advantage of providing mechanistic information. In the future, we will not be relying on single biomarkers (genomic/non-genomic), but on multiple biomarker panels, integrated through the application of different omics technologies, which will provide information on predisposition, early diagnosis, prognosis, and mechanisms. Impact statement • Genetic and circulating biomarkers present significant opportunities to personalize patient therapy to minimize the risk of adverse drug reactions. ADRs are a significant heath issue

  3. Emission and null coordinates: geometrical properties and physical construction

    International Nuclear Information System (INIS)

    Coll, Bartolome; Ferrando, Joan J; Morales-Lladosa, Juan A

    2011-01-01

    A Relativistic Positioning System is defined by four clocks (emitters) broadcasting their proper time. Then, every event reached by the signals is naturally labeled by these four times which are the emission coordinates of this event. The coordinate hypersurfaces of the emission coordinates are the future light cones based on the emitter trajectories. For this reason the emission coordinates have been also named null coordinates or light coordinates. Nevertheless, other coordinate systems used in different relativistic contexts have the own right to be named null or light coordinates. Here we analyze when one can say that a coordinate is a null coordinate and when one can say that a coordinate system is null. Moreover, we examine the physical construction and the geometrical properties of several n ull coordinate systems : the emission and the reception coordinates, the radar coordinates, and the Bondi-Sachs coordinates, among others.

  4. Vaidya spacetime in the diagonal coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Berezin, V. A., E-mail: berezin@inr.ac.ru; Dokuchaev, V. I., E-mail: dokuchaev@inr.ac.ru; Eroshenko, Yu. N., E-mail: eroshenko@inr.ac.ru [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)

    2017-03-15

    We have analyzed the transformation from initial coordinates (v, r) of the Vaidya metric with light coordinate v to the most physical diagonal coordinates (t, r). An exact solution has been obtained for the corresponding metric tensor in the case of a linear dependence of the mass function of the Vaidya metric on light coordinate v. In the diagonal coordinates, a narrow region (with a width proportional to the mass growth rate of a black hole) has been detected near the visibility horizon of the Vaidya accreting black hole, in which the metric differs qualitatively from the Schwarzschild metric and cannot be represented as a small perturbation. It has been shown that, in this case, a single set of diagonal coordinates (t, r) is insufficient to cover the entire range of initial coordinates (v, r) outside the visibility horizon; at least three sets of diagonal coordinates are required, the domains of which are separated by singular surfaces on which the metric components have singularities (either g{sub 00} = 0 or g{sub 00} = ∞). The energy–momentum tensor diverges on these surfaces; however, the tidal forces turn out to be finite, which follows from an analysis of the deviation equations for geodesics. Therefore, these singular surfaces are exclusively coordinate singularities that can be referred to as false fire-walls because there are no physical singularities on them. We have also considered the transformation from the initial coordinates to other diagonal coordinates (η, y), in which the solution is obtained in explicit form, and there is no energy–momentum tensor divergence.

  5. Internationally coordinated glacier monitoring: strategy and datasets

    Science.gov (United States)

    Hoelzle, Martin; Armstrong, Richard; Fetterer, Florence; Gärtner-Roer, Isabelle; Haeberli, Wilfried; Kääb, Andreas; Kargel, Jeff; Nussbaumer, Samuel; Paul, Frank; Raup, Bruce; Zemp, Michael

    2014-05-01

    Internationally coordinated monitoring of long-term glacier changes provide key indicator data about global climate change and began in the year 1894 as an internationally coordinated effort to establish standardized observations. Today, world-wide monitoring of glaciers and ice caps is embedded within the Global Climate Observing System (GCOS) in support of the United Nations Framework Convention on Climate Change (UNFCCC) as an important Essential Climate Variable (ECV). The Global Terrestrial Network for Glaciers (GTN-G) was established in 1999 with the task of coordinating measurements and to ensure the continuous development and adaptation of the international strategies to the long-term needs of users in science and policy. The basic monitoring principles must be relevant, feasible, comprehensive and understandable to a wider scientific community as well as to policy makers and the general public. Data access has to be free and unrestricted, the quality of the standardized and calibrated data must be high and a combination of detailed process studies at selected field sites with global coverage by satellite remote sensing is envisaged. Recently a GTN-G Steering Committee was established to guide and advise the operational bodies responsible for the international glacier monitoring, which are the World Glacier Monitoring Service (WGMS), the US National Snow and Ice Data Center (NSIDC), and the Global Land Ice Measurements from Space (GLIMS) initiative. Several online databases containing a wealth of diverse data types having different levels of detail and global coverage provide fast access to continuously updated information on glacier fluctuation and inventory data. For world-wide inventories, data are now available through (a) the World Glacier Inventory containing tabular information of about 130,000 glaciers covering an area of around 240,000 km2, (b) the GLIMS-database containing digital outlines of around 118,000 glaciers with different time stamps and

  6. Using satellite technology (global positioning system) to teach the spherical polar coordinate system

    International Nuclear Information System (INIS)

    O'Brien, William P Jr

    2003-01-01

    Students discover the equivalence between plausible geographic variables (co-latitude and longitude) of the Earth and less-familiar geometric variables (polar and azimuthal angles) of spherical polar coordinates by collecting and analysing positional data recorded during field exercises with a handheld global positioning system (GPS) receiver. This pedagogical approach to teaching spherical geometry, based on field experience rather than classroom theory, uses GPS technology to capture the curiosity of contemporary students, technical or otherwise, who might not normally find the topic of the spherical polar coordinate system comprehensible, relevant or interesting

  7. Consensus structures of the Mo(v) sites of sulfite-oxidizing enzymes derived from variable frequency pulsed EPR spectroscopy, isotopic labelling and DFT calculations.

    Science.gov (United States)

    Enemark, John H

    2017-10-10

    Sulfite-oxidizing enzymes from eukaryotes and prokaryotes have five-coordinate distorted square-pyramidal coordination about the molybdenum atom. The paramagnetic Mo(v) state is easily generated, and over the years four distinct CW EPR spectra have been identified, depending upon enzyme source and the reaction conditions, namely high and low pH (hpH and lpH), phosphate inhibited (P i ) and sulfite (or blocked). Extensive studies of these paramagnetic forms of sulfite-oxidizing enzymes using variable frequency pulsed electron spin echo (ESE) spectroscopy, isotopic labeling and density functional theory (DFT) calculations have led to the consensus structures that are described here. Errors in some of the previously proposed structures are corrected.

  8. Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

    Science.gov (United States)

    Marcus, R. A.

    1964-01-01

    In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced.

  9. Treatment and Managing Reactions

    Science.gov (United States)

    ... of reactions. Learn more here. Milk Egg Peanut Tree Nuts Soy Wheat Fish Shellfish Sesame Other Food ... a severe reaction. Consider wearing an emergency medical identification (e.g., bracelet, other jewelry). What to Read ...

  10. Microfluidic chemical reaction circuits

    Science.gov (United States)

    Lee, Chung-cheng [Irvine, CA; Sui, Guodong [Los Angeles, CA; Elizarov, Arkadij [Valley Village, CA; Kolb, Hartmuth C [Playa del Rey, CA; Huang, Jiang [San Jose, CA; Heath, James R [South Pasadena, CA; Phelps, Michael E [Los Angeles, CA; Quake, Stephen R [Stanford, CA; Tseng, Hsian-rong [Los Angeles, CA; Wyatt, Paul [Tipperary, IE; Daridon, Antoine [Mont-Sur-Rolle, CH

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  11. Preequilibrium Nuclear Reactions

    International Nuclear Information System (INIS)

    Strohmaier, B.

    1988-01-01

    After a survey on existing experimental data on precompound reactions and a description of preequilibrium reactions, theoretical models and quantum mechanical theories of preequilibrium emission are presented. The 25 papers of this meeting are analyzed separately

  12. Managing Your Emotional Reactions

    Science.gov (United States)

    ... Videos for Educators Search English Español Managing Your Emotional Reactions KidsHealth / For Teens / Managing Your Emotional Reactions ... Think about what you might do next time. Emotions 101 The skills we use to manage our ...

  13. Heavy ion transfer reactions

    Indian Academy of Sciences (India)

    array (CLARA), extensive investigations of nuclear structure and reaction dynamics have been carried out. In the present paper aspects of these studies will be presented, focussing more closely on the reaction mechanism, in particular on the ...

  14. Self-triggered coordination with ternary controllers

    NARCIS (Netherlands)

    De Persis, Claudio; Frasca, Paolo

    2012-01-01

    This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

  15. Politics of coordination in environmental health

    DEFF Research Database (Denmark)

    Holm, Jesper; Kjærgård, Bente; Jelsøe, Erling

    2015-01-01

    on environmental policy integration, for studying the efforts and paradoxes in sector co-ordination, in order to reflect on the pro et cons of integrative approaches to environment and public health. We will give an overview of the various approaches to coordinative efforts from an international to a national...

  16. Project Coordinator - Karianet | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Primary Duties or Responsibilities. The specific responsibilities of the Project Coordinator are grouped into three categories: Knowledge Management, Research Management and Project Management. As Knowledge Manager, the program coordinator will play a lead role in: Introducing and using knowledge management ...

  17. Energy Materials Coordinating Committee (EMaCC)

    Energy Technology Data Exchange (ETDEWEB)

    1991-05-31

    This report summarizes EMaCC activities for fiscal year 1990 and describes the materials research programs of various offices and divisions within the department. The DOE Energy Materials Coordinating Committee (EMaCC) serves primarily to enhance coordination among the Department's materials programs and to further the effective use of materials expertise within the department. (JL)

  18. Conventions and institutions in coordination problems

    NARCIS (Netherlands)

    van der Lecq, S.G.

    1996-01-01

    This survey article starts with a game-theory interpretation of coordination problems that occur in an economy. Three types of games are discussed in which the degree of coordination versus conflict varies. It is shown that game-theoretic techniques for equilibrium selection or securing the highest

  19. 78 FR 73819 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-12-09

    ... DEPARTMENT OF AGRICULTURE Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of Cancellation. SUMMARY: The U.S. Department of Agriculture, Forest Service was required to cancel the October 17-18, 2013 meeting of the Forest Resource Coordinating Committee...

  20. 78 FR 57128 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-09-17

    ... agencies and the private sector, to effectively address the national priorities for non-industrial private... Coordinating Committee Web site at http://www.fs.fed.us/spf/coop/frcc/ . Visitors are encouraged to call ahead... Resource Coordinating Committee can be found by visiting the Committee's Web site at: http://www.fs.fed.us...

  1. You're a "What"? Recycling Coordinator

    Science.gov (United States)

    Torpey, Elka Maria

    2011-01-01

    Recycling coordinators supervise curbside and dropoff recycling programs for municipal governments or private firms. Today, recycling is mandatory in many communities. And advancements in collection and processing methods have helped to increase the quantity of materials for which the recycling coordinator is responsible. In some communities,…

  2. 40 CFR 35.272 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  3. 40 CFR 35.691 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  4. 40 CFR 233.31 - Coordination requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Coordination requirements. 233.31 Section 233.31 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING 404 STATE PROGRAM REGULATIONS Program Operation § 233.31 Coordination requirements. (a) If a proposed...

  5. 7 CFR 624.5 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 6 2010-01-01 2010-01-01 false Coordination. 624.5 Section 624.5 Agriculture Regulations of the Department of Agriculture (Continued) NATURAL RESOURCES CONSERVATION SERVICE, DEPARTMENT OF AGRICULTURE WATER RESOURCES EMERGENCY WATERSHED PROTECTION § 624.5 Coordination. (a) If the President declares...

  6. Vendor-Buyer Coordination in Supply Chains

    NARCIS (Netherlands)

    H.J.J. Verheijen (Bas)

    2010-01-01

    textabstractCollaboration between firms in order to coordinate supply chain operations can lead to both strategic and operational benefits. Many advanced forms of collaboration arrangements between firms exist with the aim to coordinate supply chain decisions and to reap these benefits. This

  7. Non-commutative field theory with twistor-like coordinates

    International Nuclear Information System (INIS)

    Taylor, Tomasz R.

    2007-01-01

    We consider quantum field theory in four-dimensional Minkowski spacetime, with the position coordinates represented by twistors instead of the usual world-vectors. Upon imposing canonical commutation relations between twistors and dual twistors, quantum theory of fields described by non-holomorphic functions of twistor variables becomes manifestly non-commutative, with Lorentz symmetry broken by a time-like vector. We discuss the free field propagation and its impact on the short- and long-distance behavior of physical amplitudes in perturbation theory. In the ultraviolet limit, quantum field theories in twistor space are generically less divergent than their commutative counterparts. Furthermore, there is no infrared-ultraviolet mixing problem

  8. Chemical transport reactions

    CERN Document Server

    Schäfer, Harald

    2013-01-01

    Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

  9. Evaluation of vertical coordinate and vertical mixing algorithms in the HYbrid-Coordinate Ocean Model (HYCOM)

    Science.gov (United States)

    Halliwell, George R.

    Vertical coordinate and vertical mixing algorithms included in the HYbrid Coordinate Ocean Model (HYCOM) are evaluated in low-resolution climatological simulations of the Atlantic Ocean. The hybrid vertical coordinates are isopycnic in the deep ocean interior, but smoothly transition to level (pressure) coordinates near the ocean surface, to sigma coordinates in shallow water regions, and back again to level coordinates in very shallow water. By comparing simulations to climatology, the best model performance is realized using hybrid coordinates in conjunction with one of the three available differential vertical mixing models: the nonlocal K-Profile Parameterization, the NASA GISS level 2 turbulence closure, and the Mellor-Yamada level 2.5 turbulence closure. Good performance is also achieved using the quasi-slab Price-Weller-Pinkel dynamical instability model. Differences among these simulations are too small relative to other errors and biases to identify the "best" vertical mixing model for low-resolution climate simulations. Model performance deteriorates slightly when the Kraus-Turner slab mixed layer model is used with hybrid coordinates. This deterioration is smallest when solar radiation penetrates beneath the mixed layer and when shear instability mixing is included. A simulation performed using isopycnic coordinates to emulate the Miami Isopycnic Coordinate Ocean Model (MICOM), which uses Kraus-Turner mixing without penetrating shortwave radiation and shear instability mixing, demonstrates that the advantages of switching from isopycnic to hybrid coordinates and including more sophisticated turbulence closures outweigh the negative numerical effects of maintaining hybrid vertical coordinates.

  10. Coordinated School Health and the Contribution of a District Wellness Coordinator

    Science.gov (United States)

    Westrich, Lisa; Sanchez, Monika; Strobel, Karen

    2015-01-01

    Background: A San Francisco Bay Area school health initiative was established in fall 2010 to improve wellness programs in 4 local school districts using the Coordinated School Health (CSH) model. This study examines the role of district-wide wellness coordinators and the ways in which they contribute to intentional coordination of health and…

  11. Relational Coordination in Danish General Practice

    DEFF Research Database (Denmark)

    Lundstrøm, Sanne Lykke

    . The dissertation present the research study and a collection of three research papers prepared during the period from May 2010 to June 2014. Relational coordination and organisational social capital are measures of novel aspects of an organisation's performance. Relational coordination analyse the communication...... and relationship networks through which work is coordinated across functional and organisational boundaries. Previous studies have shown that relational coordination is positively associated with delivery of care for patients with chronic illness. Organisational social capital is used when analysing...... the psychosocial work environment in organisations, and is seen as a powerful resources for improving organisational performance. Relational coordination and organisational social capital may oer new insight and opportunities for general practice to learn. General practice provides cost-efficient, first...

  12. Coordinate metrology accuracy of systems and measurements

    CERN Document Server

    Sładek, Jerzy A

    2016-01-01

    This book focuses on effective methods for assessing the accuracy of both coordinate measuring systems and coordinate measurements. It mainly reports on original research work conducted by Sladek’s team at Cracow University of Technology’s Laboratory of Coordinate Metrology. The book describes the implementation of different methods, including artificial neural networks, the Matrix Method, the Monte Carlo method and the virtual CMM (Coordinate Measuring Machine), and demonstrates how these methods can be effectively used in practice to gauge the accuracy of coordinate measurements. Moreover, the book includes an introduction to the theory of measurement uncertainty and to key techniques for assessing measurement accuracy. All methods and tools are presented in detail, using suitable mathematical formulations and illustrated with numerous examples. The book fills an important gap in the literature, providing readers with an advanced text on a topic that has been rapidly developing in recent years. The book...

  13. Thermonuclear reaction rates. III

    International Nuclear Information System (INIS)

    Harris, M.J.; Fowler, W.A.; Caughlan, G.R.; Zimmerman, B.A.

    1983-01-01

    Stellar thermonuclear reaction rates are revised and updated, adding a number of new important reaction rates. Several reactions with large negative Q-values are included, and examples of them are discussed. The importance of the decay rates for Mg-26(p,n) exp 26 Al and Al-26(n,p) exp 26 Mg for stellar studies is emphasized. 19 references

  14. Maillard Reaction: review

    Directory of Open Access Journals (Sweden)

    Júlia d'Almeida Francisquini

    2017-11-01

    Full Text Available Maillard reaction is an important subject of study in food science and technology and different areas of knowledge are involved such as chemistry, food engineering, nutrition and food technology. The objective of this paper is to present the basic concepts of the Maillard reaction, such as the reaction stages, the main compounds producced and some technological consequences for dairy products.

  15. Resonant thermonuclear reaction rate

    International Nuclear Information System (INIS)

    Haubold, H.J.; Mathai, A.M.

    1986-01-01

    Basic physical principles for the resonant and nonresonant thermonuclear reaction rates are applied to find their standard representations for nuclear astrophysics. Closed-form representations for the resonant reaction rate are derived in terms of Meijer's G-function. Analytic representations of the resonant and nonresonant nuclear reaction rates are compared and the appearance of Meijer's G-function is discussed in physical terms

  16. The shallow water equations in Lagrangian coordinates

    International Nuclear Information System (INIS)

    Mead, J.L.

    2004-01-01

    Recent advances in the collection of Lagrangian data from the ocean and results about the well-posedness of the primitive equations have led to a renewed interest in solving flow equations in Lagrangian coordinates. We do not take the view that solving in Lagrangian coordinates equates to solving on a moving grid that can become twisted or distorted. Rather, the grid in Lagrangian coordinates represents the initial position of particles, and it does not change with time. We apply numerical methods traditionally used to solve differential equations in Eulerian coordinates, to solve the shallow water equations in Lagrangian coordinates. The difficulty with solving in Lagrangian coordinates is that the transformation from Eulerian coordinates results in solving a highly nonlinear partial differential equation. The non-linearity is mainly due to the Jacobian of the coordinate transformation, which is a precise record of how the particles are rotated and stretched. The inverse Jacobian must be calculated, thus Lagrangian coordinates cannot be used in instances where the Jacobian vanishes. For linear (spatial) flows we give an explicit formula for the Jacobian and describe the two situations where the Lagrangian shallow water equations cannot be used because either the Jacobian vanishes or the shallow water assumption is violated. We also prove that linear (in space) steady state solutions of the Lagrangian shallow water equations have Jacobian equal to one. In the situations where the shallow water equations can be solved in Lagrangian coordinates, accurate numerical solutions are found with finite differences, the Chebyshev pseudospectral method, and the fourth order Runge-Kutta method. The numerical results shown here emphasize the need for high order temporal approximations for long time integrations

  17. Accounting for the Decreasing Reaction Potential of Heterogeneous Aquifers in a Stochastic Framework of Aquifer-Scale Reactive Transport

    Science.gov (United States)

    Loschko, Matthias; Wöhling, Thomas; Rudolph, David L.; Cirpka, Olaf A.

    2018-01-01

    Many groundwater contaminants react with components of the aquifer matrix, causing a depletion of the aquifer's reactivity with time. We discuss conceptual simplifications of reactive transport that allow the implementation of a decreasing reaction potential in reactive-transport simulations in chemically and hydraulically heterogeneous aquifers without relying on a fully explicit description. We replace spatial coordinates by travel-times and use the concept of relative reactivity, which represents the reaction-partner supply from the matrix relative to a reference. Microorganisms facilitating the reactions are not explicitly modeled. Solute mixing is neglected. Streamlines, obtained by particle tracking, are discretized in travel-time increments with variable content of reaction partners in the matrix. As exemplary reactive system, we consider aerobic respiration and denitrification with simplified reaction equations: Dissolved oxygen undergoes conditional zero-order decay, nitrate follows first-order decay, which is inhibited in the presence of dissolved oxygen. Both reactions deplete the bioavailable organic carbon of the matrix, which in turn determines the relative reactivity. These simplifications reduce the computational effort, facilitating stochastic simulations of reactive transport on the aquifer scale. In a one-dimensional test case with a more detailed description of the reactions, we derive a potential relationship between the bioavailable organic-carbon content and the relative reactivity. In a three-dimensional steady-state test case, we use the simplified model to calculate the decreasing denitrification potential of an artificial aquifer over 200 years in an ensemble of 200 members. We demonstrate that the uncertainty in predicting the nitrate breakthrough in a heterogeneous aquifer decreases with increasing scale of observation.

  18. Adverse reactions associated with acetylcysteine.

    Science.gov (United States)

    Sandilands, E A; Bateman, D N

    2009-02-01

    Paracetamol (acetaminophen) is one of the most common agents deliberately ingested in self-poisoning episodes and a leading cause of acute liver failure in the western world. Acetylcysteine is widely acknowledged as the antidote of choice for paracetamol poisoning, but its use is not without risk. Adverse reactions, often leading to treatment delay, are frequently associated with both intravenous and oral acetylcysteine and are a common source of concern among treating physicians. A systematic literature review investigating the incidence, clinical features, and mechanisms of adverse effects associated with acetylcysteine. A variety of adverse reactions to acetylcysteine have been described ranging from nausea to death, most of the latter due to incorrect dosing. The pattern of reactions differs with oral and intravenous dosing, but reported frequency is at least as high with oral as intravenous. The reactions to the intravenous preparation result in similar clinical features to true anaphylaxis, including rash, pruritus, angioedema, bronchospasm, and rarely hypotension, but are caused by nonimmunological mechanisms. The precise nature of this reaction remains unclear. Histamine now seems to be an important mediator of the response, and there is evidence of variability in patient susceptibility, with females, and those with a history of asthma or atopy are particularly susceptible. Quantity of paracetamol ingestion, measured through serum paracetamol concentration, is also important as higher paracetamol concentrations protect patients against anaphylactoid effects. Most anaphylactoid reactions occur at the start of acetylcysteine treatment when concentrations are highest. Acetylcysteine also affects clotting factor activity, and this affects the interpretation of minor disturbances in the International Normalized Ratio in the context of paracetamol overdose. This review discusses the incidence, clinical features, underlying pathophysiological mechanisms, and

  19. Pressure-dependent kinetics of initial reactions in iso-octane pyrolysis.

    Science.gov (United States)

    Ning, HongBo; Gong, ChunMing; Li, ZeRong; Li, XiangYuan

    2015-05-07

    This study focuses on the studies of the main pressure-dependent reaction types of iso-octane (iso-C8H18) pyrolysis, including initial C-C bond fission of iso-octane, isomerization, and β-scission reactions of the alkyl radicals produced by the C-C bond fission of iso-octane. For the C-C bond fission of iso-octane, the minimum energy potentials are calculated at the CASPT2(2e,2o)/6-31+G(d,p)//CAS(2e,2o)/6-31+G(d,p) level of theory. For the isomerization and the β-scission reactions of the alkyl radicals, the optimization of the geometries and the vibrational frequencies of the reactants, transition states, and products are performed at the B3LYP/CBSB7 level, and their single point energies are calculated by using the composite CBS-QB3 method. Variable reaction coordinate transition state theory (VRC-TST) is used for the high-pressure limit rate constant calculation and Rice-Ramsperger-Kassel-Marcus/master equation (RRKM/ME) is used to calculate the pressure-dependent rate constants of these channels with pressure varying from 0.01-100 atm. The rate constants obtained in this work are in good agreement with those available from literatures. We have updated the rate constants and thermodynamic parameters for species involved in these reactions into a current chemical kinetic mechanism and also have improved the concentration profiles of main products such as C3H6 and C4H6 in the shock tube pyrolysis of iso-octane. The results of this study provide insight into the pyrolysis of iso-octane and will be helpful in the future development of branched paraffin kinetic mechanisms.

  20. A novel coordinated control for Integrated Pressurized Water Reactor

    International Nuclear Information System (INIS)

    Zhao, Yuxin; Du, Xue; Xia, Genglei; Gao, Feng

    2015-01-01

    Highlights: • Proposed IPWR coordinated control strategy to avoid flow instability of OTSG. • Tuned PID controller parameters by Fuzzy kernel wavelet neural network with kernel trick and adaptive variable step-size. • Transition process exhibit the effectiveness of the novel IPWR control system. - Abstract: Integrated Pressurized Water Reactor (IPWR) has the characteristic of strong coupling, nonlinearity and complicated dynamic performance, which requires high standards of the control strategy and controller design. Most of IPWR systems utilize control strategy of ideal steady-state and PID controller, even though this strategy causes flow instability in the once through steam generator (OTSG) in low load conditions. Besides, the simple form of PID limits the performance developing which could not appropriately satisfy the requirements for quality. Motivated by these drawbacks, this paper proposes an IPWR coordinated control strategy and adopts PID controller to control each subsystem. The control strategy considers the system as a two-level hierarchical control system, and considers coordinating controller and bottom controllers. In the period of controller design, this strategy utilizes PID controller to control each subsystem, and modifies the controller parameters in real time by Fuzzy-KWNN algorithm, which adaptively achieves the system adjustment. Finally, simulation results are presented to exhibit the effectiveness of the proposed IPWR control system

  1. Interpersonal Coordination of Head Motion in Distressed Couples

    Science.gov (United States)

    Hammal, Zakia; Cohn, Jeffrey F.; George, David T.

    2015-01-01

    In automatic emotional expression analysis, head motion has been considered mostly a nuisance variable, something to control when extracting features for action unit or expression detection. As an initial step toward understanding the contribution of head motion to emotion communication, we investigated the interpersonal coordination of rigid head motion in intimate couples with a history of interpersonal violence. Episodes of conflict and non-conflict were elicited in dyadic interaction tasks and validated using linguistic criteria. Head motion parameters were analyzed using Student’s paired t-tests; actor-partner analyses to model mutual influence within couples; and windowed cross-correlation to reveal dynamics of change in direction of influence over time. Partners’ RMS angular displacement for yaw and RMS angular velocity for pitch and yaw each demonstrated strong mutual influence between partners. Partners’ RMS angular displacement for pitch was higher during conflict. In both conflict and non-conflict, head angular displacement and angular velocity for pitch and yaw were strongly correlated, with frequent shifts in lead-lag relationships. The overall amount of coordination between partners’ head movement was more highly correlated during non-conflict compared with conflict interaction. While conflict increased head motion, it served to attenuate interpersonal coordination. PMID:26167256

  2. Modifications of hemoglobin and myoglobin by Maillard reaction products (MRPs.

    Directory of Open Access Journals (Sweden)

    Aristos Ioannou

    Full Text Available High performance liquid chromatography (HPLC coupled with a Fraction Collector was employed to isolate Maillard reaction products (MRPs formed in model systems comprising of asparagine and monosaccharides in the 60-180°C range. The primary MRP which is detected at 60°C is important for Acrylamide content and color/aroma development in foods and also in the field of food biotechnology for controlling the extent of the Maillard reaction with temperature. The discrete fractions of the reaction products were reacted with Hemoglobin (Hb and Myoglobin (Mb at physiological conditions and the reaction adducts were monitored by UV-vis and Attenuated Total Reflection-Fourier transform infrared (FTIR spectrophotometry. The UV-vis kinetic profiles revealed the formation of a Soret transition characteristic of a low-spin six-coordinated species and the ATR-FTIR spectrum of the Hb-MRP and Mb-MRP fractions showed modifications in the protein Amide I and II vibrations. The UV-vis and the FTIR spectra of the Hb-MRPs indicate that the six-coordinated species is a hemichrome in which the distal E7 Histidine is coordinated to the heme Fe and blocks irreversibly the ligand binding site. Although the Mb-MRPs complex is a six-coordinated species, the 1608 cm-1 FTIR band characteristic of a hemichrome was not observed.

  3. Cycloaddition Reaction of Hydrogen-Bonded Zn(II)

    Indian Academy of Sciences (India)

    Solid-state Photochemical [2+2] Cycloaddition Reaction of ... and free bpe and lattice water molecules shows face-to-face, π ··· π stacking of two of the four free bpe molecules with coordinated .... were decanted and dried in air. [Yield: 0.068 g ...

  4. Modifications of hemoglobin and myoglobin by Maillard reaction products (MRPs).

    Science.gov (United States)

    Ioannou, Aristos; Varotsis, Constantinos

    2017-01-01

    High performance liquid chromatography (HPLC) coupled with a Fraction Collector was employed to isolate Maillard reaction products (MRPs) formed in model systems comprising of asparagine and monosaccharides in the 60-180°C range. The primary MRP which is detected at 60°C is important for Acrylamide content and color/aroma development in foods and also in the field of food biotechnology for controlling the extent of the Maillard reaction with temperature. The discrete fractions of the reaction products were reacted with Hemoglobin (Hb) and Myoglobin (Mb) at physiological conditions and the reaction adducts were monitored by UV-vis and Attenuated Total Reflection-Fourier transform infrared (FTIR) spectrophotometry. The UV-vis kinetic profiles revealed the formation of a Soret transition characteristic of a low-spin six-coordinated species and the ATR-FTIR spectrum of the Hb-MRP and Mb-MRP fractions showed modifications in the protein Amide I and II vibrations. The UV-vis and the FTIR spectra of the Hb-MRPs indicate that the six-coordinated species is a hemichrome in which the distal E7 Histidine is coordinated to the heme Fe and blocks irreversibly the ligand binding site. Although the Mb-MRPs complex is a six-coordinated species, the 1608 cm-1 FTIR band characteristic of a hemichrome was not observed.

  5. Geographic asymmetries of the Viking auroral distribution: Implications for ionospheric coordinate systems

    International Nuclear Information System (INIS)

    Hearn, D.J.; Elphinstone, R.D.; Murphree, J.S.; Cogger, L.L.

    1993-01-01

    Viking images of the auroral distribution have been used to investigate the relevance of various ionospheric coordinate systems. An important aspect of the large-scale auroral shape is its dependence on the asymmetries of the Earth's internal field. Model predictions of where the aurora occurs, using the equatorial plane's volume current density, agree with observations and imply that the internal field plays a more important role that generally believed. Historically, the belief that the internal field has only small effects seems to stem from the widespread use of the corrected geomagnetic and invariant coordinate systems. These systems involve the mapping of field lines and have advantages in statistical studies and comparisons; less sophisticated systems such as the eccentric dipole coordinate system should be used in individual studies and in studies involving differentiation or integration of some observational parameters. Observations of the auraoral distribution are give to illustrate the universal time, tilt angle, and Kp variability in different coordinate systems and demonstrate that the dominant variability of the aurora is due to internal field asymmetries. A new set of coordinate systems are briefly developed as examples of how to incorporate external field models into studies of auraoral images. It is proposed that the one of these coordinate systems can be used as a test of how well an external field model can match observed auroral distributions. 19 refs., 1 tab

  6. Out-of-equilibrium catalysis of chemical reactions by electronic tunnel currents.

    Science.gov (United States)

    Dzhioev, Alan A; Kosov, Daniel S; von Oppen, Felix

    2013-04-07

    We present an escape rate theory for current-induced chemical reactions. We use Keldysh nonequilibrium Green's functions to derive a Langevin equation for the reaction coordinate. Due to the out of equilibrium electronic degrees of freedom, the friction, noise, and effective temperature in the Langevin equation depend locally on the reaction coordinate. As an example, we consider the dissociation of diatomic molecules induced by the electronic current from a scanning tunnelling microscope tip. In the resonant tunnelling regime, the molecular dissociation involves two processes which are intricately interconnected: a modification of the potential energy barrier and heating of the molecule. The decrease of the molecular barrier (i.e., the current induced catalytic reduction of the barrier) accompanied by the appearance of the effective, reaction-coordinate-dependent temperature is an alternative mechanism for current-induced chemical reactions, which is distinctly different from the usual paradigm of pumping vibrational degrees of freedom.

  7. Coordinated Noninvasive Studies (CNS) Project

    Science.gov (United States)

    Lauter, Judith

    1988-11-01

    Research activities during this period include: data collection related to the interface between complex-sound production and perception, specifically, studies on speech acoustics including two experiments on voice-onset-time variability in productions by speakers of several languages, and a series on acoustical characteristics of emotional expression; data collection regarding individual differences in the effect of stimulus characteristic on relative ear advantages; continuing data analysis and new collections documenting individual differences in auditory evoked potentials, with details related to auditory-systems asymmetries preliminary tests regarding the match between behavioral measures of relative ear advantages and quantitative-electroencephalographic asymmetries observed during auditory stimulation; pilot testing using a combination of Nuclear Magnetic Resonance's (NMR) anatomical-imaging and chemical-spectral-analysis capabilities to study physiological activation in the human brain.

  8. Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

    1987-01-01

    We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

  9. Movement constraints on interpersonal coordination and communication.

    Science.gov (United States)

    Tolston, Michael T; Shockley, Kevin; Riley, Michael A; Richardson, Michael J

    2014-10-01

    The present study investigated how constraining movement affects interpersonal coordination and joint cognitive performance. Pairs of participants worked cooperatively to solve picture-puzzle tasks in which they conversed to identify differences between pictures in 3 degree-of-constraint conditions: both participants were free to move their hands (free-free; FF); both participants' hands were restrained (restrained-restrained; RR); and the hands of 1 participant were free while the hands of the other participant were restrained (free-restrained; FR). Eye tracking data were collected, and movement was measured at the waist, hand, and head. Data were analyzed using Cross-Recurrence Quantification Analysis (CRQ). Postural sway coordination, gaze coordination, and task performance were predicted to be highest in FF, followed by RR, and then by FR. Results showed the asymmetric FR condition generally exhibited lesser degrees of coordination than the symmetric Conditions FF and RR, and that the patterning of coordination in the symmetric conditions varied across the measured body segments. These results demonstrate that movement restraints affect not only interpersonal postural coordination, but also joint attention. Additionally, significant positive relationships were found between task performance and total amount of anterior-posterior movement measured at the head, hand and waist; number of utterances; and number of differences pairs found in the puzzles. These findings indicate a relationship between movement and task performance consistent with the hypotheses that both interpersonal coordination and cognitive performance are sensitive to local action constraints.

  10. Near-Horizon Geodesics for Astrophysical and Idealised Black Holes: Coordinate Velocity and Coordinate Acceleration

    Directory of Open Access Journals (Sweden)

    Petarpa Boonserm

    2018-05-01

    Full Text Available Geodesics (by definition have an intrinsic 4-acceleration zero. However, when expressed in terms of coordinates, the coordinate acceleration d 2 x i / d t 2 can very easily be non-zero, and the coordinate velocity d x i / d t can behave unexpectedly. The situation becomes extremely delicate in the near-horizon limit—for both astrophysical and idealised black holes—where an inappropriate choice of coordinates can quite easily lead to significant confusion. We shall carefully explore the relative merits of horizon-penetrating versus horizon-non-penetrating coordinates, arguing that in the near-horizon limit the coordinate acceleration d 2 x i / d t 2 is best interpreted in terms of horizon-penetrating coordinates.

  11. Membrane dynamics in the intrinsic light-front coordinates

    International Nuclear Information System (INIS)

    Aragone, C.; Restuccia, A.; Torrealba, R.

    1991-01-01

    The authors study the dynamics of the membrane, using internal light-front (LF) coordinates. The set of constraints, although equivalent to the standard one, is different. The intrinsic LF gauge is defined. Four additional, alternative gauge-fixing conditions are analyzed. Two of them polynomialize the system, while the other two are convenient for studying the initial-value problem. In particular, one of them is also extrinsically (i.e., in the ambient space) light-front. In this gauge, the system is shown to be consistently reduced to attain a canonical form in terms of pure transverse variables. Two constraints on these variables still hold, clearly showing the presence, as they must, of D - 3 degrees of freedom. Finally, the initial-value problem in this intrinsic-extrinsic. LF gauge is solved. Although the paper is based on the first-order action, the LF-Hamiltonian approach is discussed too

  12. Crystal structures of coordination polymers from CaI2 and proline

    Directory of Open Access Journals (Sweden)

    Kevin Lamberts

    2015-06-01

    Full Text Available Completing our reports concerning the reaction products from calcium halides and the amino acid proline, two different solids were found for the reaction of l- and dl-proline with CaI2. The enantiopure amino acid yields the one-dimensional coordination polymer catena-poly[[aqua-μ3-l-proline-tetra-μ2-l-proline-dicalcium] tetraiodide 1.7-hydrate], {[Ca2(C5H9NO25(H2O]I4·1.7H2O}n, (1, with two independent Ca2+ cations in characteristic seven- and eightfold coordination. Five symmetry-independent zwitterionic l-proline molecules bridge the metal sites into a cationic polymer. Racemic proline forms with Ca2+ cations heterochiral chains of the one-dimensional polymer catena-poly[[diaquadi-μ2-dl-proline-calcium] diiodide], {[Ca(C5H9NO22(H2O2]I2}n, (2. The centrosymmetric structure is built by one Ca2+ cation that is bridged towards its symmetry equivalents by two zwitterionic proline molecules. In both structures, the iodide ions remain non-coordinating and hydrogen bonds are formed between these counter-anions, the amino groups, coordinating and co-crystallized water molecules. While the overall composition of (1 and (2 is in line with other structures from calcium halides and amino acids, the diversity of the carboxylate coordination geometry is quite surprising.

  13. Coordination Logic for Repulsive Resolution Maneuvers

    Science.gov (United States)

    Narkawicz, Anthony J.; Munoz, Cesar A.; Dutle, Aaron M.

    2016-01-01

    This paper presents an algorithm for determining the direction an aircraft should maneuver in the event of a potential conflict with another aircraft. The algorithm is implicitly coordinated, meaning that with perfectly reliable computations and information, it will in- dependently provide directional information that is guaranteed to be coordinated without any additional information exchange or direct communication. The logic is inspired by the logic of TCAS II, the airborne system designed to reduce the risk of mid-air collisions between aircraft. TCAS II provides pilots with only vertical resolution advice, while the proposed algorithm, using a similar logic, provides implicitly coordinated vertical and horizontal directional advice.

  14. 9th Conference on Coordinate Measuring Machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Dorph, Pernille

    2001-01-01

    This one-day conference on coordinate measuring machines is the 9th in a row of conferences organised in connection with the Danish CMM Club, a users’ group regarding CMMs that has existed in Denmark since 1994. The Danish CMM Club was founded by the Department of Manufacturing Engineering...... termination of the second lifetime cycle of the club. This conference treates the traceability of geometrical measurements with particular reference to those obtained using coordinate measuring machines. A number of on-going activities and new achievements in coordinate metrology are presented by European...

  15. Distributed Coordination of Household Electricity Consumption

    DEFF Research Database (Denmark)

    Juelsgaard, Morten; Teixeira, Andre; Johansson, Mikael

    2014-01-01

    This work presents a distributed framework for coordination of flexible electricity consumption for a number of households in the distribution grid. We conduct coordination with the purpose of minimizing a trade-off between individual concerns about discomfort and electricity cost, on the one hand......, and joint concerns about grid losses and voltage variations on the other. Our contribution is mainly to illustrate how to conduct distributed coordination when consumers are jointly coupled by grid losses and voltage variations. In addition we illustrate the benefit of including consumption management...... in the grid operation, and how different types of consumption may present various benefits....

  16. Relationships between physical activity, physical fitness, somatic fitness, and coordination along childhood and adolescence

    Directory of Open Access Journals (Sweden)

    João Paulo Saraiva

    2010-12-01

    Full Text Available The two main goals of this review were to understand how the relationships between physical activity, physical fitness, somatic fitness, and coordination are established along the motor development of children and adolescents, and how they would influence their future lives. The web based bibliographic database B-On was searched for peer-reviewed publications during the last decade (2000 to 2009. Search criteria included all articles on relationships between any two of the above named factors. Although different methodological designs and variables were found as markers for the same factor, overall results suggested the existence of a clear positive relationship among physical activity, physical fitness, somatic fitness, and coordination from childhood to adolescence, with a special relevance for the relationship between physical activity and coordination. It was also noted a renewed interest on physical activity and motor coordination developmental characteristics and relationships as well as on their lifelong health effects.

  17. Relationships between physical activity, physical fitness, somatic fitness, and coordination along childhood and adolescence

    Directory of Open Access Journals (Sweden)

    J.P. Saraiva

    2010-01-01

    Full Text Available The two main goals of this review were to understand how the relationships between physical activity, physical fitness, somatic fitness, and coordination are established along the motor development of children and adolescents, and how they would influence their future lives. The web based bibliographic database B-On was searched for peer-reviewed publications during the last decade (2000 to 2009. Search criteria included all articles on relationships between any two of the above named factors. Although different methodological designs and variables were found as markers for the same factor, overall results suggested the existence of a clear positive relationship among physical activity, physical fitness, somatic fitness, and coordination from childhood to adolescence, with a special relevance for the relationship between physical activity and coordination. It was also noted a renewed interest on physical activity and motor coordination developmental characteristics and relationships as well as on their lifelong health effects.

  18. Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers

    International Nuclear Information System (INIS)

    Barros, Bráulio Silva; Chojnacki, Jaroslaw; Macêdo Soares, Antonia Alice; Kulesza, Joanna; Lourenço da Luz, Leonis; Júnior, Severino Alves

    2015-01-01

    The reaction between Zn(NO 3 ) 2 ·6H 2 O or Zn(CH 3 COO) 2 ·2H 2 O and isophthalic acid (1,3-H 2 bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H 2 O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn 2 (1,3-bdc) 2 (Hbzim) 2 ] (1) and [Zn 2 (1,3-bdc)(bzim) 2 ] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2) is a 3D framework with benzimidazolate species acting as a co-ligand and bridging two Zn(II) ions. Reactions performed at 90 °C led to the formation of coordination polymers structurally similar to (2), independently of the Zn(II) source used. In the absence of benzimidazole, the reaction between ZnAc 2 .2H 2 O and 1,3-H 2 bdc at 90 °C resulted in the formation of (3), a 3D coordination polymer Zn(HCOO) 3 (Me 2 NH 2 + ). It was observed that the thermostability and the photophysical properties of (1) and (2) are strongly dependent on the coordination modes and packing of benzimidazole in the solid state. These materials present photoluminescence in the wide range of the spectrum, from UV to IR. A full understanding of a physical process occurring in these intriguing systems, including complete energy level diagrams with possible transitions were provided. - Graphical abstract: Display Omitted - Highlights: • Structurally different Zn(II)-coordination polymers were prepared. • The formation of frameworks was counter anion and temperature dependent. • Photoluminescence in the wide range of the spectrum, from UV to IR was observed. • Thermostability and luminescence depended on bzim packing in the structure

  19. Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism

    Science.gov (United States)

    Zhao, Zhiqiang; Zhang, Zhaojun; Liu, Shu; Zhang, Dong H.

    2017-02-01

    Reactions occurring at a carbon atom through the Walden inversion mechanism are one of the most important and useful classes of reactions in chemistry. Here we report an accurate theoretical study of the simplest reaction of that type: the H+CH4 substitution reaction and its isotope analogues. It is found that the reaction threshold versus collision energy is considerably higher than the barrier height. The reaction exhibits a strong normal secondary isotope effect on the cross-sections measured above the reaction threshold, and a small but reverse secondary kinetic isotope effect at room temperature. Detailed analysis reveals that the reaction proceeds along a path with a higher barrier height instead of the minimum-energy path because the umbrella angle of the non-reacting methyl group cannot change synchronously with the other reaction coordinates during the reaction due to insufficient energy transfer from the translational motion to the umbrella mode.

  20. Modeling, Control and Coordination of Helicopter Systems

    CERN Document Server

    Ren, Beibei; Chen, Chang; Fua, Cheng-Heng; Lee, Tong Heng

    2012-01-01

    Modeling, Control and Coordination of Helicopter Systems provides a comprehensive treatment of helicopter systems, ranging from related nonlinear flight dynamic modeling and stability analysis to advanced control design for single helicopter systems, and also covers issues related to the coordination and formation control of multiple helicopter systems to achieve high performance tasks. Ensuring stability in helicopter flight is a challenging problem for nonlinear control design and development. This book is a valuable reference on modeling, control and coordination of helicopter systems,providing readers with practical solutions for the problems that still plague helicopter system design and implementation. Readers will gain a complete picture of helicopters at the systems level, as well as a better understanding of the technical intricacies involved. This book also: Presents a complete picture of modeling, control and coordination for helicopter systems Provides a modeling platform for a general class of ro...

  1. Axisymmetric magnetohydrodynamic equilibria in local polar coordinates

    International Nuclear Information System (INIS)

    Clemente, R.A.

    1982-01-01

    The Grad--Shafranov equation for an ideal magnetohydrodynamic axisymmetric toroidal configuration is solved analytically in a local polar coordinate system using a novel method which produces solutions valid up to the second order in the inverse aspect ratio expansion

  2. Selective Placement Program Coordinator (SPPC) Directory

    Data.gov (United States)

    Office of Personnel Management — List of the Selective Placement Program Coordinators (SPPC) in Federal agencies, updated as needed. Users can filter the list by choosing a state and/or agency name.

  3. Unraveling interlimb interactions underlying bimanual coordination

    NARCIS (Netherlands)

    Ridderikhoff, A.; Daffertshofer, A.; Peper, C.E.; Beek, P.J.

    2005-01-01

    Three sources of interlimb interactions have been postulated to underlie the stability characteristics of bimanual coordination but have never been evaluated in conjunction: integrated timing of feedforward control signals, phase entrainment by contralateral afference, and timing corrections based

  4. The Schwarzschild metric: It's the coordinates, stupid!

    Science.gov (United States)

    Fromholz, Pierre; Poisson, Eric; Will, Clifford M.

    2014-04-01

    Every general relativity textbook emphasizes that coordinates have no physical meaning. Nevertheless, a coordinate choice must be made in order to carry out real calculations, and that choice can make the difference between a calculation that is simple and one that is a mess. We give a concrete illustration of the maxim that "coordinates matter" using the exact Schwarzschild solution for a vacuum, static spherical spacetime. We review the standard textbook derivation, Schwarzschild's original 1916 derivation, and a derivation using the Landau-Lifshitz formulation of the Einstein field equations. The last derivation is much more complicated, has one aspect for which we have been unable to find a solution, and gives an explicit illustration of the fact that the Schwarzschild geometry can be described in infinitely many coordinate systems.

  5. HYbrid Coordinate Ocean Model (HYCOM): Global

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Global HYbrid Coordinate Ocean Model (HYCOM) and U.S. Navy Coupled Ocean Data Assimilation (NCODA) 3-day, daily forecast at approximately 9-km (1/12-degree)...

  6. Human Resources Coordinator | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Human Resources Coordinator supports the HR Business Partner in the delivery of ... of various reports for HR Business Partners and HR management. ... services and information to candidates applying on job openings in IDRC, ...

  7. Coordination in Categorical Compositional Distributional Semantics

    Directory of Open Access Journals (Sweden)

    Dimitri Kartsaklis

    2016-08-01

    Full Text Available An open problem with categorical compositional distributional semantics is the representation of words that are considered semantically vacuous from a distributional perspective, such as determiners, prepositions, relative pronouns or coordinators. This paper deals with the topic of coordination between identical syntactic types, which accounts for the majority of coordination cases in language. By exploiting the compact closed structure of the underlying category and Frobenius operators canonically induced over the fixed basis of finite-dimensional vector spaces, we provide a morphism as representation of a coordinator tensor, and we show how it lifts from atomic types to compound types. Linguistic intuitions are provided, and the importance of the Frobenius operators as an addition to the compact closed setting with regard to language is discussed.

  8. Coordination Approaches for Complex Software Systems

    NARCIS (Netherlands)

    Bosse, T.; Hoogendoorn, M.; Treur, J.

    2006-01-01

    This document presents the results of a collaboration between the Vrije Universiteit Amsterdam, Department of Artificial Intelligence and Force Vision to investigate coordination approaches for complex software systems. The project was funded by Force Vision.

  9. Coordination Polymer Gels by Electron Beam

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ji Ha; Cho, Young Je; Jung, Jong Hwa [Gyeongsang National Univ., Jinju (Korea, Republic of)

    2011-07-01

    Hydrogenation of a pyridine derivative possessing tetrazole moieties as end groups, without long alkyl chain groups, results in the formation of a Mg(NO{sub 3}){sub 2} coordination polymer gel. The polymer exhibits a strong fluorescence enhancement upon gel formation. 1 can also be gloated with a variety of magnesium anions such as SO{sub 4}{sup 2-}, NO{sub 3}{sup -}, Cl{sup -}, Br{sup -} and I{sup -}, indicating that the coordination polymer gel formation of 1 does not strongly depends on anions. The Seam and ABM images of Mg{sup 2+} coordination polymer gel 1 display a flabbier network with several micrometers long, widths in the range 60-70 nm and thicknesses of about 3 nm. In addition, photophysical studies show that the hydrogel exhibits a typical {pi}-{pi} transition and gives rise to high fluorescence behavior. The coordination polymer hydrogel exhibits viscoelastic behavior as evidenced from the rheological studies.

  10. Junior Information and Records Coordinator | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Information and Records Operations (IRO) Program Support ... Coordinator to support him/her performing day to day business assigned to this position. ... Digitization and digital assets management are main tasks to guarantee that digital ...

  11. Process Coordination and Policy Officer | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Such liaison aims to ensure that the operational aspects and requirements are taken into account. ... Business Process Coordination and Change Management ... Liaises with the Resources Planning and Development Officer of the Office of ...

  12. Noncanonical Reactions of Flavoenzymes

    Directory of Open Access Journals (Sweden)

    Pablo Sobrado

    2012-11-01

    Full Text Available Enzymes containing flavin cofactors are predominantly involved in redox reactions in numerous cellular processes where the protein environment modulates the chemical reactivity of the flavin to either transfer one or two electrons. Some flavoenzymes catalyze reactions with no net redox change. In these reactions, the protein environment modulates the reactivity of the flavin to perform novel chemistries. Recent mechanistic and structural data supporting novel flavin functionalities in reactions catalyzed by chorismate synthase, type II isopentenyl diphosphate isomerase, UDP-galactopyranose mutase, and alkyl-dihydroxyacetonephosphate synthase are presented in this review. In these enzymes, the flavin plays either a direct role in acid/base reactions or as a nucleophile or electrophile. In addition, the flavin cofactor is proposed to function as a “molecular scaffold” in the formation of UDP-galactofuranose and alkyl-dihydroxyacetonephosphate by forming a covalent adduct with reaction intermediates.

  13. Desynchronizing electrical and sensory coordinated reset neuromodulation

    OpenAIRE

    Popovych, Oleksandr V.; Tass, Peter A.

    2012-01-01

    Coordinated reset (CR) stimulation is a desynchronizing stimulation technique based on timely coordinated phase resets of sub-populations of a synchronized neuronal ensemble. It has initially been computationally developed for electrical deep brain stimulation (DBS), to enable an effective desynchronization and unlearning of pathological synchrony and connectivity (anti-kindling). Here we computationally show for ensembles of spiking and bursting model neurons interacting via excitatory and i...

  14. Desynchronizing Electrical and Sensory Coordinated Reset Neuromodulation

    OpenAIRE

    Oleksandr V. Popovych; Peter A. Tass; Peter A. Tass

    2012-01-01

    Coordinated reset (CR) stimulation is a desynchronizing stimulation technique based on timely coordinated phase resets of sub-populations of a synchronized neuronal ensemble. It has initially been computationally developed for electrical deep brain stimulation (DBS),to enable an effective desynchronization and unlearning of pathological synchrony and connectivity (anti-kindling). Here we computationally show for ensembles of spiking and bursting model neurons interacting via excitatory and in...

  15. Collaborative Supply Chain Planning and Coordination

    DEFF Research Database (Denmark)

    Wong, Chee Yew

    products, differentiating retailers, accurate response (with forecast adjustment and premature replenishment), quick response (order-penetration-point relocation and lead-time reduction). These analyses extend the Fisher Model of responsiveness and refine six propositions or principles of responsiveness...... 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...

  16. Trends in coordination and transmission service

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    Investor-owned utilities increasingly are taking significant advantage of the benefits available from coordination transactions and transmission service. This chapter describes Edison Electric Institute (EEI's) estimate as to the growth in sales-for-resale (including coordination service) over the past two decades. With respect to transmission service, this chapter describes the significant growth in both the level of transmission service and the number of transmission agreements

  17. Co-ordinating Product Developing Activities

    DEFF Research Database (Denmark)

    Terkelsen, Søren Bendix

    1996-01-01

    The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature......The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature...

  18. Traceability and uncertainty estimation in coordinate metrology

    DEFF Research Database (Denmark)

    Hansen, Hans Nørgaard; Savio, Enrico; De Chiffre, Leonardo

    2001-01-01

    National and international standards have defined performance verification procedures for coordinate measuring machines (CMMs) that typically involve their ability to measure calibrated lengths and to a certain extent form. It is recognised that, without further analysis or testing, these results...... are required. Depending on the requirements for uncertainty level, different approaches may be adopted to achieve traceability. Especially in the case of complex measurement situations and workpieces the procedures are not trivial. This paper discusses the establishment of traceability in coordinate metrology...

  19. Control Coordination of Large Scale Hereditary Systems.

    Science.gov (United States)

    1985-07-01

    Theory - A Hilbert Space Approach, (Academic Press, New York, 1982). [4] W. Findeisen , F. N. Bailey, M. Brdys, K Malinowski, P. Tatjewski and A. Wozniak... Findeisen et al. (1980), in the sense that local models are used in the design of component control laws and a higher level coordination problem is...Vol. 1, pp. 590-591, 1985. 3. W. Findeisen , F.N. Bailley, M. Brdys, K. Malinowski, P. Tatjewski and A. Wozniak, Control Coordination in Hierarchical

  20. Extensions of Parallel Coordinates for Interactive Exploration of Large Multi-Timepoint Data Sets

    NARCIS (Netherlands)

    Blaas, J.; Botha, C.P.; Post, F.H.

    2008-01-01

    Parallel coordinate plots (PCPs) are commonly used in information visualization to provide insight into multi-variate data. These plots help to spot correlations between variables. PCPs have been successfully applied to unstructured datasets up to a few millions of points. In this paper, we present