Science.gov

Sample records for activated complex theory

  1. Linking Complexity with Cultural Historical Activity Theory

    ERIC Educational Resources Information Center

    McMurtry, Angus

    2006-01-01

    This paper explores the similarities and differences between complexity science's and cultural-historical activity theory's understandings of human learning. Notable similarities include their emphasis on the importance of social systems or collectives in understanding human knowledge and practices, as well as their characterization of systems'…

  2. Using activity theory to study cultural complexity in medical education.

    PubMed

    Frambach, Janneke M; Driessen, Erik W; van der Vleuten, Cees P M

    2014-06-01

    There is a growing need for research on culture, cultural differences and cultural effects of globalization in medical education, but these are complex phenomena to investigate. Socio-cultural activity theory seems a useful framework to study cultural complexity, because it matches current views on culture as a dynamic process situated in a social context, and has been valued in diverse fields for yielding rich understandings of complex issues and key factors involved. This paper explains how activity theory can be used in (cross-)cultural medical education research. We discuss activity theory's theoretical background and principles, and we show how these can be applied to the cultural research practice by discussing the steps involved in a cross-cultural study that we conducted, from formulating research questions to drawing conclusions. We describe how the activity system, the unit of analysis in activity theory, can serve as an organizing principle to grasp cultural complexity. We end with reflections on the theoretical and practical use of activity theory for cultural research and note that it is not a shortcut to capture cultural complexity: it is a challenge for researchers to determine the boundaries of their study and to analyze and interpret the dynamics of the activity system. PMID:24590549

  3. Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

    DOE R&D Accomplishments Database

    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.

  4. Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

    DOE R&D Accomplishments Database

    Marcus, R. A.

    1964-01-01

    In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

  5. Activity Theory, Complexity and Sports Coaching: An Epistemology for a Discipline

    ERIC Educational Resources Information Center

    Jones, Robyn L.; Edwards, Christian; Filho, I. A. Tuim Viotto

    2016-01-01

    The aim of this article is twofold. First, it is to advance the case for activity theory (AT) as a credible and alternative lens to view and research sports coaching. Second, it is to position this assertion within the wider debate about the epistemology of coaching. Following a framing introduction, a more comprehensive review of the development…

  6. Activity Theory and Ontology

    ERIC Educational Resources Information Center

    Peim, Nick

    2009-01-01

    This paper seeks to re-examine Yrio Engestrom's activity theory as a technology of knowledge designed to enable positive transformations of specific practices. The paper focuses on a key paper where Engestrom defines the nature and present state of activity theory. Beginning with a brief account of the relations between activity theory and…

  7. Reflections on Activity Theory

    ERIC Educational Resources Information Center

    Bakhurst, David

    2009-01-01

    It is sometimes suggested that activity theory represents the most important legacy of Soviet philosophy and psychology. But what exactly "is" activity theory? The canonical account in the West is given by Engestrom, who identifies three stages in the theory's development: from Vygotsky's insights, through Leontiev's articulation of the…

  8. Simple theories of complex lattices

    NASA Astrophysics Data System (ADS)

    Peyrard, Michel

    1998-11-01

    While the theory of solitons has been very successful for continuous systems, very few nonlinear discrete lattices are amenable to an exact analytical treatment. In these “complex lattices” discreteness can be hostile to the solitons, preventing them to move due to the lack of translational invariance or even to exist as localized excitations. On the other hand, lattice discreteness can sometimes be very helpful. It can stabilize solutions that otherwise would split apart as in the discrete sine-Gordon lattice, or even allow the existence of localized oscillatory modes as exact solutions in systems where they would decay in the continuum limit. It is interesting that many of these phenomena can be understood qualitatively, and sometimes quantitatively, with very simple theories that rely on the usual concepts of linear wave propagation, resonances, linear stability of waves, for instance. There are, however, phenomena specific to discrete nonlinear lattices which allow the build up of large amplitude localized excitations, sometimes out of thermal fluctuations, which are more resistant to simple approaches and could deserve further interest because they may be relevant for various physical systems.

  9. Theoretical Investigations and Density Functional Theory Based Quantitative Structure–Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes

    PubMed Central

    2012-01-01

    Octahedral platinum(IV) complexes are promising candidates in the fight against cancer. In order to rationalize the further development of this class of compounds, detailed studies on their mechanisms of action, toxicity, and resistance must be provided and structure–activity relationships must be drawn. Herein, we report on theoretical and QSAR investigations of a series of 53 novel bis-, tris-, and tetrakis(carboxylato)platinum(IV) complexes, synthesized and tested for cytotoxicity in our laboratories. The hybrid DFT functional wb97x was used for optimization of the structure geometry and calculation of the descriptors. Reliable and robust QSAR models with good explanatory and predictive properties were obtained for both the cisplatin sensitive cell line CH1 and the intrinsically cisplatin resistant cell line SW480, with a set of four descriptors. PMID:23214999

  10. A Simple Approach to Complexity Theory

    ERIC Educational Resources Information Center

    Sanger, Michael; Giddings, Martha M.

    2012-01-01

    This teaching note presents 7 basic ideas that are drawn from complexity theory. These ideas are designed to help students appreciate and work with the complex systems that they often face in practice. Although complexity theory may be presented using mathematical language not easily accessible to non-mathematicians, it also may be presented by…

  11. Elements Of Theory Of Multidimensional Complex Variables

    NASA Technical Reports Server (NTRS)

    Martin, E. Dale

    1993-01-01

    Two reports describe elements of theory of multidimensional complex variables, with emphasis on three dimensions. First report introduces general theory. Second, presents further developments in theory of analytic functions of single three-dimensional variable and applies theory to representation of ideal flows. Results of preliminary studies suggest analytic functions of new three-dimensional complex variables useful in numerous applications, including representing of three-dimensional flows and potentials.

  12. Effect of Lewis acid on the structure of a diiron dithiolate complex based on the active site of [FeFe]-hydrogenase assessed by density functional theory.

    PubMed

    Lee, Jin Woo; Jo, Won Ho

    2009-10-28

    The effect of Lewis acid on the structure and H2 productivity of a diiron dithiolate complex was investigated by using density functional theory (DFT) calculations. When a model molecule of [(CH3SH)(CO)2Fe(p)(mu-SCH2NHCH2S)Fe(d)(CO)3] was geometrically optimized, two isomers were found: one is the unrotated structure (1) with no ligand between two Fe atoms and the other is the rotated structure (1*) with one CO ligand between two Fe atoms. The energy of 1* was higher than 1 by 6.4 kcal/mol in a vacuum. DFT calculations also revealed that all Lewis acids bound to the rotated structure more strongly than to the unrotated structure, leading to the stabilization of the rotated structure. In particular, when AlCl3 is used, the rotated structure (1*/AlCl3) is more stable than the unrotated one (1/AlCl3) by 1.2 kcal/mol in a vacuum. The stabilization of the rotated structure arises from both the stronger basicity of the mu-CO ligand than the axial CO ligand and the increase of the bond strength between the mu-CO ligand and Fe(p) atom upon binding of Lewis acid to 1*. Calculation of energy barriers during electrocatalytic H2 production revealed that 1*/AlCl3 could efficiently produce H2via a chemical-electrochemical-chemical-electrochemical mechanism. The analysis of the energy level of the lowest unoccupied molecular orbital showed that 1*/AlCl3 may produce H2 at significantly lower reduction potential as compared with 1*. It is also found that the catalytic activity decreases with increasing polarity of the medium. PMID:19809728

  13. An Application of Activity Theory

    ERIC Educational Resources Information Center

    Marken, James A.

    2006-01-01

    Activity Theory has often been used in workplace settings to gain new theoretical understandings about work and the humans who engage in work, but rarely has there been sufficient detail in the literature to allow HPT practitioners to do their own activity analysis. The detail presented in this case is sufficient for HPT practitioners to begin to…

  14. Structuration Theory, Habitus and Complexity Theory: Elective Affinities or Old Wine in New Bottles?

    ERIC Educational Resources Information Center

    Morrison, Keith

    2005-01-01

    This paper examines similarities and differences between structuration theory, habitus and complexity theory, as theories of social change. The paper suggests that structuration theory and habitus can theorize change, but that complexity theory offers a more complete theory of change because it focuses on social production rather than…

  15. Technology, Mathematics and Activity Theory

    ERIC Educational Resources Information Center

    Lerman, Stephen

    2013-01-01

    This article describes 11 papers in which the authors report their research on technology as enhancement in the teaching and learning of mathematics, in the context of the application of activity theory for design and/or analysis. There is considerable diversity across the papers in how the authors have interpreted their task and in particular how…

  16. Theory of scattering by complex potentials

    SciTech Connect

    Thylwe, K.; Froeman, N.

    1983-10-15

    The scattering problem for a non-relativistic spinless particle under the influence of a complex effective potential, which is spherically symmetric and tends to zero faster than 1/r at infinity, is considered. Certain general relations, which illuminate the influence of the imaginary part of the potential on the scattering process, are derived with the use of the expression for the probability current density. The rigorous phase-integral method developed by N. Froeman and P. O. Froeman is used for obtaining an exact, general formula for the scattering matrix, or equivalently, for the phase shift. The formula is expressed in terms of phase-integral approximations of an arbitrary order and certain quantities defined by convergent series. Estimating the latter quantities and omitting small corrections, an approximate formula is derived for the phase shift, valid for the case that only one complex turning point contributes essentially to the phase shift. Criteria for classifying a scattering problem as such a one-turning-point problem are given. The treatment is made general enough to also cover situations of interest in Regge-pole or complex angular momentum theory.

  17. Concerning interpretations of activity theory.

    PubMed

    Mironenko, Irina A

    2013-09-01

    Activity theory (AT) is the most recognised part of Russian psychology outside Russia. However the general view of AT in international science is rather unilateral, lacking substantial aspects and areas necessary for proper understanding. This article is aimed at expanding the image of AT dominant in the mainstream which reduces the AT trend to A.N. Leontiev's theory. This reduction impoverishes the creative potentialities of the trend, and decreases the ability of AT to contribute to international science. We aim to reveal that AT is not limited to Leontiev's approach, to explain which ideas of the founders of AT, S.L. Rubinstein and L.S. Vygotsky, were pursued and which were rejected by A.N. Leontiev, and to assess another important contribution to the AT trend - the theory of B.G. Ananiev, where the ideas of AT's founders were developed which were not succeeded by A.N. Leontiev. Historical causes and consequences of the general reduction of the image of AT in the mainstream to Leontiev's theory are considered: why the discrepancies between views of Rubinstein, Vygotsky and Leontiev were hardly ever discussed in public and why other theories contemporary to Leontiev's theory were never given account appropriate to their value in Russia and remain almost unknown abroad. PMID:23512520

  18. Io. [theories concerning volcanic activity

    NASA Technical Reports Server (NTRS)

    Johnson, T. V.; Soderblom, L. A.

    1983-01-01

    A report on the continuing investigation of Io is presented. Gravitational resonance is discussed as the cause of Io's volcanism, and the volcanic activity is explained in terms of sulfur chemistry. Theories concerning the reasons for the two main types of volcanic eruptions on Io are advanced and correlated with geographical features of the satellite. The sulfur and silicate models of the calderas are presented, citing the strengths and weaknesses of each. Problems of the gravitational resonance theory of Io's heat source are then described. Finally, observations of Io planned for the Galileo mission are summarized.

  19. A Guided Inquiry Activity for Teaching Ligand Field Theory

    ERIC Educational Resources Information Center

    Johnson, Brian J.; Graham, Kate J.

    2015-01-01

    This paper will describe a guided inquiry activity for teaching ligand field theory. Previous research suggests the guided inquiry approach is highly effective for student learning. This activity familiarizes students with the key concepts of molecular orbital theory applied to coordination complexes. Students will learn to identify factors that…

  20. Making Educational Development and Change Sustainable: Insights from Complexity Theory

    ERIC Educational Resources Information Center

    Mason, Mark

    2009-01-01

    This article considers the challenge of sustainable change and development in education from the perspective of complexity theory. Complexity theory's concept of emergence implies that, given a significant degree of complexity in a particular environment, new properties and behaviours emerge that are not necessarily contained in the essence of the…

  1. Post Disaster Governance, Complexity and Network Theory

    PubMed Central

    Lassa, Jonatan A.

    2015-01-01

    This research aims to understand the organizational network typology of large­-scale disaster intervention in developing countries and to understand the complexity of post-­disaster intervention, through the use of network theory based on empirical data from post-­tsunami reconstruction in Aceh, Indonesia, during 2005/­2007. The findings suggest that the ‘ degrees of separation’ (or network diameter) between any two organizations in the field is 5, thus reflecting ‘small­ world’ realities and therefore making no significant difference with the real human networks, as found in previous experiments. There are also significant loops in the network reflecting the fact that some actors tend to not cooperate, which challenges post­ disaster coordination. The findings show the landscape of humanitarian actors is not randomly distributed. Many actors were connected to each other through certain hubs, while hundreds of actors make ‘scattered’ single ‘principal-­client’ links. The paper concludes that by understanding the distribution of degree, centrality, ‘degrees of separation’ and visualization of the network, authorities can improve their understanding of the realities of coordination, from macro to micro scales. PMID:26236562

  2. An alternative topological field theory of generalized complex geometry

    NASA Astrophysics Data System (ADS)

    Ikeda, Noriaki; Tokunaga, Tatsuya

    2007-09-01

    We propose a new topological field theory on generalized complex geometry in two dimension using AKSZ formulation. Zucchini's model is A model in the case that the generalized complex structure depends on only a symplectic structure. Our new model is B model in the case that the generalized complex structure depends on only a complex structure.

  3. Applicability of Complex Organization Theory to Small Organizations

    ERIC Educational Resources Information Center

    Dolch, Norman A.; Heffernan, William D.

    1978-01-01

    Reviews research literature and describes a study concerning the applicability of complex organization theory to small organizations. Finds that organizational-structural properties can be measured in small organizations; complex organization theory can be used to better understand small organizations; and certain measurement techniques used in…

  4. Platinum-Mediated Activation of Coordinated Organonitriles by Telluroethers in Tetrahydrofuran: Isolation, Structural Characterization, and Density Functional Theory Analysis of Intermediate Complexes.

    PubMed

    Kolay, Siddhartha; Wadawale, Amey; Nigam, Sandeep; Kumar, Mukesh; Majumder, Chiranjib; Das, Dasarathi; Jain, Vimal K

    2015-12-21

    The reactions of [PtCl2(NCR)2] with telluroethers (ArAr'Te) in organic solvents have been investigated. The reactions in dichloromethane yield [PtCl2(TeArAr')2], while those in tetrahydrofuran (THF) give different products depending on the steric demands of the aryl groups on tellurium, the molarity of the reactants, and the reaction conditions. The reactions between [PtCl2(PhCN)2] and TeArAr' in 1:1 molar ratio at room temperature in THF yield several products, like [PtCl2(TeArAr')2] (Ar/Ar' = Ph/Ph, o-tol/Mes, Mes/Mes), [PtCl2(PhCN){NC(O)Ph[TeMes(o-tol)]}], and [PtCl2{NC(O)Ph(TeMes2)}2]. The reaction with TeMes2 in refluxing THF gave [PtCl2{NC(Ph)C4H7O}{NC(O)Ph(TeMes2)}] and [PtCl(TeMes2){Te(Mes)CH2C6H2Me2}], depending on the duration of heating. Reaction of [PtCl2(PhCN)2] with TeArMes afforded [PtCl2(TeArMes)2] (Ar = Ph, o-tol, and Mes), the formation of which decreased with increasing steric demand of the Ar group, together with [PtCl2{NC(O)Ph(TeArMes)}2]. The telluroether in the latter binds to nitrogen, and tellurium exists in the formal oxidation state of +4 (from XPS). The tellurium in these complexes exhibits secondary interactions with platinum (J((195)Pt-(125)Te) = 309-347 Hz) and with the carbonyl oxygen. These complexes slowly dissociate in solution to give [PtCl2(TeMesAr){NC(O)Ph(TeMesAr)}], finally leading to the formation of [PtCl2(TeMesAr)2]. Molecular structures of trans-[PtCl2(PhCN){NC(O)Ph[TeMes(o-tol)]}], trans-[PtCl2{NC(O)Ph(TeMes2)}2], trans-[PtCl2{NC(Ph)C4H7O}{NC(O)Ph(TeMes2)}], trans-[PtCl2{NC(O)Ph[TeMes(o-tol)]}2], trans-[PtCl2(TeMes2){NC(O)Ph(TeMes2)}], trans-[PtCl2{NC(O)Me(TeMes2)}2], and [PtCl(Te-o-tol){NC(O)Ph}2] have been unambiguously established by single-crystal X-ray diffraction analyses. Density functional theory calculations for some of the complexes were performed, and geometrical parameters are in good agreement with the values obtained from X-ray analyses. PMID:26669361

  5. Theory of active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Shields, G. A.

    1986-01-01

    The involvement of accretion disks around supermassive black holes in the theory of active galactic nuclei (AGN) is discussed. The physics of thin and thick accretion disks is discussed and the partition between thermal and nonthermal energy production in supermassive disks is seen as uncertain. The thermal limit cycle may operate in supermassive disks (Shields, 1985), with accumulation of gas in the disk for periods of 10 to the 4th to 10 to the 7th years, punctuated by briefer outbursts during which the mass is rapidly transferred to smaller radii. An extended X-ray source in AGN is consistent with observations (Tennant and Mushotsky, 1983), and a large wind mass loss rate exceeding the central accretion rate means that only a fraction of the mass entering the disk will reach the central object; the rest being lost to the wind. Controversy in the relationship between the broad lines and the disk is also discussed.

  6. Realizing Wisdom Theory in Complex Learning Networks

    ERIC Educational Resources Information Center

    Kok, Ayse

    2009-01-01

    The word "wisdom" is rarely seen in contemporary technology and learning discourse. This conceptual paper aims to provide some clear principles that answer the question: How can we establish wisdom in complex learning networks? By considering the nature of contemporary calls for wisdom the paper provides a metatheoretial framework to evaluate the…

  7. Functionalized active-nucleus complex sensor

    DOEpatents

    Pines, Alexander; Wemmer, David E.; Spence, Megan; Rubin, Seth

    2003-11-25

    A functionalized active-nucleus complex sensor that selectively associates with one or more target species, and a method for assaying and screening for one or a plurality of target species utilizing one or a plurality of functionalized active-nucleus complexes with at least two of the functionalized active-nucleus complexes having an attraction affinity to different corresponding target species. The functionalized active-nucleus complex has an active-nucleus and a targeting carrier. The method involves functionalizing an active-nucleus, for each functionalized active-nucleus complex, by incorporating the active-nucleus into a macromolucular or molecular complex that is capable of binding one of the target species and then bringing the macromolecular or molecular complexes into contact with the target species and detecting the occurrence of or change in a nuclear magnetic resonance signal from each of the active-nuclei in each of the functionalized active-nucleus complexes.

  8. Educational Philosophy and the Challenge of Complexity Theory

    ERIC Educational Resources Information Center

    Morrison, Keith

    2008-01-01

    Complexity theory challenges educational philosophy to reconsider accepted paradigms of teaching, learning and educational research. However, though attractive, not least because of its critique of positivism, its affinity to Dewey and Habermas, and its arguments for openness, diversity, relationships, agency and creativity, the theory is not…

  9. Structure, Agency, Complexity Theory and Interdisciplinary Research in Education Studies

    ERIC Educational Resources Information Center

    Smith, John A.

    2013-01-01

    This article argues that Education Studies needs to develop its existing interdisciplinarity understanding of structures and agencies by giving greater attention to the modern process theories of self-organisation in the physical, biological, psychological and social sciences, sometimes given the umbrella term "complexity theory". The…

  10. Probability in Theories With Complex Dynamics and Hardy's Fifth Axiom

    NASA Astrophysics Data System (ADS)

    Burić, Nikola

    2010-08-01

    L. Hardy has formulated an axiomatization program of quantum mechanics and generalized probability theories that has been quite influential. In this paper, properties of typical Hamiltonian dynamical systems are used to argue that there are applications of probability in physical theories of systems with dynamical complexity that require continuous spaces of pure states. Hardy’s axiomatization program does not deal with such theories. In particular Hardy’s fifth axiom does not differentiate between such applications of classical probability and quantum probability.

  11. Emergent “quantum” theory in complex adaptive systems

    NASA Astrophysics Data System (ADS)

    Minic, Djordje; Pajevic, Sinisa

    2016-03-01

    Motivated by the question of stability, in this paper we argue that an effective quantum-like theory can emerge in complex adaptive systems. In the concrete example of stochastic Lotka-Volterra dynamics, the relevant effective “Planck constant” associated with such emergent “quantum” theory has the dimensions of the square of the unit of time. Such an emergent quantum-like theory has inherently nonclassical stability as well as coherent properties that are not, in principle, endangered by thermal fluctuations and therefore might be of crucial importance in complex adaptive systems.

  12. An information theory analysis of visual complexity and dissimilarity.

    PubMed

    Donderi, Don C

    2006-01-01

    The subjective complexity of a computer-generated bitmap image can be measured by magnitude estimation scaling, and its objective complexity can be measured by its compressed file size. There is a high correlation between these measures of subjective and objective complexity over a large set of marine electronic chart and radar images. The subjective dissimilarity of a pair of bitmap images can be predicted from subjective and objective measures of the complexity of each image, and from the subjective and objective complexity of the image produced by overlaying the two simple images. In addition, the subjective complexity of the image produced by overlaying two simple images can be predicted from the subjective complexity of the simple images and the subjective dissimilarity of the image pair. The results of the experiments that generated these complexity and dissimilarity judgments are consistent with a theory, outlined here, that treats objective and subjective measures of image complexity and dissimilarity as vectors in Euclidean space. PMID:16836047

  13. Ecosystemic Complexity Theory of Conflict: Understanding the Fog of Conflict

    ERIC Educational Resources Information Center

    Brack, Greg; Lassiter, Pamela S.; Hill, Michele B.; Moore, Sarah A.

    2011-01-01

    Counselors often engage in conflict mediation in professional practice. A model for understanding the complex and subtle nature of conflict resolution is presented. The ecosystemic complexity theory of conflict is offered to assist practitioners in navigating the fog of conflict. Theoretical assumptions are discussed with implications for clinical…

  14. Three Generations of Complexity Theories: Nuances and Ambiguities

    ERIC Educational Resources Information Center

    Alhadeff-Jones, Michel

    2008-01-01

    The contemporary use of the term "complexity" frequently indicates that it is considered a unified concept. This may lead to a neglect of the range of different theories that deal with the implications related to the notion of complexity. This paper, integrating both the English and the Latin traditions of research associated with this notion,…

  15. Theory and modeling of active brazing.

    SciTech Connect

    van Swol, Frank B.; Miller, James Edward; Lechman, Jeremy B.; Givler, Richard C.

    2013-09-01

    Active brazes have been used for many years to produce bonds between metal and ceramic objects. By including a relatively small of a reactive additive to the braze one seeks to improve the wetting and spreading behavior of the braze. The additive modifies the substrate, either by a chemical surface reaction or possibly by alloying. By its nature, the joining process with active brazes is a complex nonequilibrium non-steady state process that couples chemical reaction, reactant and product diffusion to the rheology and wetting behavior of the braze. Most of the these subprocesses are taking place in the interfacial region, most are difficult to access by experiment. To improve the control over the brazing process, one requires a better understanding of the melting of the active braze, rate of the chemical reaction, reactant and product diffusion rates, nonequilibrium composition-dependent surface tension as well as the viscosity. This report identifies ways in which modeling and theory can assist in improving our understanding.

  16. What can quantum optics say about computational complexity theory?

    PubMed

    Rahimi-Keshari, Saleh; Lund, Austin P; Ralph, Timothy C

    2015-02-13

    Considering the problem of sampling from the output photon-counting probability distribution of a linear-optical network for input Gaussian states, we obtain results that are of interest from both quantum theory and the computational complexity theory point of view. We derive a general formula for calculating the output probabilities, and by considering input thermal states, we show that the output probabilities are proportional to permanents of positive-semidefinite Hermitian matrices. It is believed that approximating permanents of complex matrices in general is a #P-hard problem. However, we show that these permanents can be approximated with an algorithm in the BPP^{NP} complexity class, as there exists an efficient classical algorithm for sampling from the output probability distribution. We further consider input squeezed-vacuum states and discuss the complexity of sampling from the probability distribution at the output. PMID:25723196

  17. Pattern activation/recognition theory of mind

    PubMed Central

    du Castel, Bertrand

    2015-01-01

    In his 2012 book How to Create a Mind, Ray Kurzweil defines a “Pattern Recognition Theory of Mind” that states that the brain uses millions of pattern recognizers, plus modules to check, organize, and augment them. In this article, I further the theory to go beyond pattern recognition and include also pattern activation, thus encompassing both sensory and motor functions. In addition, I treat checking, organizing, and augmentation as patterns of patterns instead of separate modules, therefore handling them the same as patterns in general. Henceforth I put forward a unified theory I call “Pattern Activation/Recognition Theory of Mind.” While the original theory was based on hierarchical hidden Markov models, this evolution is based on their precursor: stochastic grammars. I demonstrate that a class of self-describing stochastic grammars allows for unifying pattern activation, recognition, organization, consistency checking, metaphor, and learning, into a single theory that expresses patterns throughout. I have implemented the model as a probabilistic programming language specialized in activation/recognition grammatical and neural operations. I use this prototype to compute and present diagrams for each stochastic grammar and corresponding neural circuit. I then discuss the theory as it relates to artificial network developments, common coding, neural reuse, and unity of mind, concluding by proposing potential paths to validation. PMID:26236228

  18. Pattern activation/recognition theory of mind.

    PubMed

    du Castel, Bertrand

    2015-01-01

    In his 2012 book How to Create a Mind, Ray Kurzweil defines a "Pattern Recognition Theory of Mind" that states that the brain uses millions of pattern recognizers, plus modules to check, organize, and augment them. In this article, I further the theory to go beyond pattern recognition and include also pattern activation, thus encompassing both sensory and motor functions. In addition, I treat checking, organizing, and augmentation as patterns of patterns instead of separate modules, therefore handling them the same as patterns in general. Henceforth I put forward a unified theory I call "Pattern Activation/Recognition Theory of Mind." While the original theory was based on hierarchical hidden Markov models, this evolution is based on their precursor: stochastic grammars. I demonstrate that a class of self-describing stochastic grammars allows for unifying pattern activation, recognition, organization, consistency checking, metaphor, and learning, into a single theory that expresses patterns throughout. I have implemented the model as a probabilistic programming language specialized in activation/recognition grammatical and neural operations. I use this prototype to compute and present diagrams for each stochastic grammar and corresponding neural circuit. I then discuss the theory as it relates to artificial network developments, common coding, neural reuse, and unity of mind, concluding by proposing potential paths to validation. PMID:26236228

  19. Kinetic theory of partially ionized complex (dusty) plasmas

    SciTech Connect

    Tsytovich, V.N.; De Angelis, U.; Ivlev, A.V.; Morfill, G.E.

    2005-08-15

    The general approach to the kinetic theory of complex (dusty) plasmas [Tsytovich and de Angelis, Phys. Plasmas 6, 1093 (1999)], which was formulated with the assumption of a regular (nonfluctuating) source of plasma particles, is reformulated to include ionization by electron impact on neutrals as the plasma source and the effects of collisions of ions and dust particles with neutrals.

  20. Evaluating Action Learning: A Critical Realist Complex Network Theory Approach

    ERIC Educational Resources Information Center

    Burgoyne, John G.

    2010-01-01

    This largely theoretical paper will argue the case for the usefulness of applying network and complex adaptive systems theory to an understanding of action learning and the challenge it is evaluating. This approach, it will be argued, is particularly helpful in the context of improving capability in dealing with wicked problems spread around…

  1. An Overview of Cultural Historical Activity Theory (CHAT) Use in Classroom Research 2000 to 2009

    ERIC Educational Resources Information Center

    Nussbaumer, Doris

    2012-01-01

    Western educational researchers have eagerly accepted activity theory (AT) also known as cultural historical activity theory (CHAT) to collect and analyze data in rich description of complex situations. As this theory is applicable to a wide variety of disciplines, this review is limited to education and specifically to qualitative studies of…

  2. What nurse leaders should know about complex adaptive systems theory.

    PubMed

    Penprase, Barbara; Norris, Diane

    2005-01-01

    The purpose of this article is to provide an overview of key concepts in understanding complex adaptive systems theory (CAS) and its application to nursing management. CAS concerns altering management practice and revolutionizing how nurse leaders think, behave, and problem solve. CAS discards former beliefs and embraces the concepts of self-organization and attractors (catalysts that allow new behaviors to emerge spontaneously) that enable order and creativity to emerge. Stressing that the most powerful processes begin at the micro level of an organization with the staff, complexity science offers nursing leadership new strategies for successfully navigating chaotic, complex times in health care management. PMID:16206697

  3. Active impedance matching of complex structural systems

    NASA Technical Reports Server (NTRS)

    Macmartin, Douglas G.; Miller, David W.; Hall, Steven R.

    1991-01-01

    Viewgraphs on active impedance matching of complex structural systems are presented. Topics covered include: traveling wave model; dereverberated mobility model; computation of dereverberated mobility; control problem: optimal impedance matching; H2 optimal solution; statistical energy analysis (SEA) solution; experimental transfer functions; interferometer actuator and sensor locations; active strut configurations; power dual variables; dereverberation of complex structure; dereverberated transfer function; compensators; and relative power flow.

  4. Kinetic theory of nonlinear transport phenomena in complex plasmas

    SciTech Connect

    Mishra, S. K.; Sodha, M. S.

    2013-03-15

    In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

  5. On the Complexity of Constraint-Based Theory Extraction

    NASA Astrophysics Data System (ADS)

    Boley, Mario; Gärtner, Thomas

    In this paper we rule out output polynomial listing algorithms for the general problem of discovering theories for a conjunction of monotone and anti-monotone constraints as well as for the particular subproblem in which all constraints are frequency-based. For the general problem we prove a concrete exponential lower time bound that holds for any correct algorithm and even in cases in which the size of the theory as well as the only previous bound are constant. For the case of frequency-based constraints our result holds unless P = NP. These findings motivate further research to identify tractable subproblems and justify approaches with exponential worst case complexity.

  6. Van der Waals Interactions in Density Functional Theory: Intermolecular Complexes

    NASA Astrophysics Data System (ADS)

    Kannemann, Felix; Becke, Axel

    2010-03-01

    Conventional density functional theory (GGA and hybrid functionals) fails to account for dispersion interactions and is therefore not applicable to systems where van der Waals interactions play a dominant role, such as intermolecular complexes and biomolecules. The exchange-hole dipole moment (XDM) dispersion model of Becke and Johnson [A. D. Becke and E. R. Johnson, J. Chem. Phys. 127, 154108 (2007)] corrects for this deficiency. We have previously shown that the XDM dispersion model can be combined with standard GGA functionals (PW86 for exchange and PBE for correlation) to give accurate binding energy curves for rare-gas diatomics [F. O. Kannemann and A. D. Becke, J. Chem. Theory Comput. 5, 719 (2009)]. Here we present further tests of the GGA-XDM method using benchmark sets including hydrogen bonding, electrostatic, dispersion and stacking interactions, and systems ranging from rare-gas diatomics to biomolecular complexes.

  7. Antischistosomal Activity of Oxindolimine-Metal Complexes

    PubMed Central

    Dario, Bruno S.; Couto, Ricardo A. A.; Pinto, Pedro L. S.; da Costa Ferreira, Ana M.

    2015-01-01

    In recent years, a class of oxindole-copper and -zinc complex derivatives have been reported as compounds with efficient proapoptotic activity toward different tumor cells (e.g., neuroblastomas, melanomas, monocytes). Here we assessed the efficacy of synthesized oxindole-copper(II), -zinc(II), and -vanadyl (VO2+) complexes against adult Schistosoma mansoni worms. The copper(II) complexes (50% inhibitory concentrations of 30 to 45 μM) demonstrated greater antischistosomal properties than the analogous zinc and vanadyl complexes regarding lethality, reduction of motor activity, and oviposition. PMID:26239976

  8. Antischistosomal Activity of Oxindolimine-Metal Complexes.

    PubMed

    de Moraes, Josué; Dario, Bruno S; Couto, Ricardo A A; Pinto, Pedro L S; da Costa Ferreira, Ana M

    2015-10-01

    In recent years, a class of oxindole-copper and -zinc complex derivatives have been reported as compounds with efficient proapoptotic activity toward different tumor cells (e.g., neuroblastomas, melanomas, monocytes). Here we assessed the efficacy of synthesized oxindole-copper(II), -zinc(II), and -vanadyl (VO(2+)) complexes against adult Schistosoma mansoni worms. The copper(II) complexes (50% inhibitory concentrations of 30 to 45 μM) demonstrated greater antischistosomal properties than the analogous zinc and vanadyl complexes regarding lethality, reduction of motor activity, and oviposition. PMID:26239976

  9. Activity Theory and Language Teacher Agency

    ERIC Educational Resources Information Center

    Feryok, Anne

    2012-01-01

    This article takes a broadly sociocultural perspective on the development of an Armenian English as a foreign language (EFL) teacher. It focuses on how experiences and actions outside the professional development classroom influence language teacher agency. The paper is framed within activity theory and specifically draws on Galperin's orienting…

  10. Cultural Historical Activity Theory and Professional Learning

    ERIC Educational Resources Information Center

    Daniels, Harry

    2004-01-01

    In this article I will discuss the route by which I came to work with Cultural Historical Activity Theory (CHAT). The brief tracing of my own biography will highlight theoretical and methodological milestones. I will then discuss my current work, with colleagues, on approaches to investigating and improving the learning of professionals who are…

  11. Transforming Teacher Education, An Activity Theory Analysis

    ERIC Educational Resources Information Center

    McNicholl, Jane; Blake, Allan

    2013-01-01

    This paper explores the work of teacher education in England and Scotland. It seeks to locate this work within conflicting sociocultural views of professional practice and academic work. Drawing on an activity theory framework that integrates the analysis of these seemingly contradictory discourses with a study of teacher educators' practical…

  12. Complexity Theory, School Leadership and Management: Questions for Theory and Practice

    ERIC Educational Resources Information Center

    Morrison, Keith

    2010-01-01

    Complexity theory (CT) has had a meteoric rise in management literature and the social sciences. Its fledgling importation into school leadership and management raises several questions and concerns. This article takes one view of CT and argues that, though its key elements have much to offer school leadership and management, caution has to be…

  13. Facilitative governance: transforming global health through complexity theory.

    PubMed

    Haffeld, Just

    2012-01-01

    Any initiative to coordinate actions, plans, or initiatives to improve the interaction between global health stakeholders finds itself feeding into a vastly complex global system. By utilising complexity theory as part of a new scientific paradigm, complex adaptive behaviour can emerge to create coherence. A suggested global health convention facilitating incremental regime development could be a way to create good governance processes. Minimum specifications could provide wide space for innovation and encourage shared action. Such specifications would be both a product of, and a facilitator for, future generative relationships. The potential empowerment of individuals as a result of this has the potential to transform global health by creating an arena for continual cooperation, interaction and mutual dependence among global stakeholders. PMID:22248181

  14. Dynamo theory prediction of solar activity

    NASA Technical Reports Server (NTRS)

    Schatten, Kenneth H.

    1988-01-01

    The dynamo theory technique to predict decadal time scale solar activity variations is introduced. The technique was developed following puzzling correlations involved with geomagnetic precursors of solar activity. Based upon this, a dynamo theory method was developed to predict solar activity. The method was used successfully in solar cycle 21 by Schatten, Scherrer, Svalgaard, and Wilcox, after testing with 8 prior solar cycles. Schatten and Sofia used the technique to predict an exceptionally large cycle, peaking early (in 1990) with a sunspot value near 170, likely the second largest on record. Sunspot numbers are increasing, suggesting that: (1) a large cycle is developing, and (2) that the cycle may even surpass the largest cycle (19). A Sporer Butterfly method shows that the cycle can now be expected to peak in the latter half of 1989, consistent with an amplitude comparable to the value predicted near the last solar minimum.

  15. Path integration and perturbation theory with complex Euclidean actions

    NASA Astrophysics Data System (ADS)

    Alexanian, Garnik; MacKenzie, R.; Paranjape, M. B.; Ruel, Jonathan

    2008-05-01

    The Euclidean path integral quite often involves an action that is not completely real, i.e. a complex action. This occurs when the Minkowski action contains t-odd CP-violating terms. This usually consists of topological terms, such as the Chern-Simons term in odd dimensions, the Wess-Zumino term, the θ term or Chern character in 4-dimensional gauge theories, or other topological densities. Analytic continuation to Euclidean time yields an imaginary term in the Euclidean action. It also occurs when the action contains fermions, the fermion path integral being in general a sum over positive and negative real numbers. Negative numbers correspond to the exponential of iπ and hence indicate the presence of an imaginary term in the action. In the presence of imaginary terms in the Euclidean action, the usual method of perturbative quantization can fail. Here the action is expanded about its critical points, the quadratic part serving to define the Gaussian free theory and the higher order terms defining the perturbative interactions. For a complex action, the critical points are generically obtained at complex field configurations. Hence the contour of path integration does not pass through the critical points and the perturbative paradigm cannot be directly implemented. The contour of path integration has to be deformed to pass through the complex critical point using a generalized method of steepest descent, in order to do so. Typically, this procedure is not followed. Rather, only the real part of the Euclidean action is considered, and its critical points are used to define the perturbation theory, a procedure that can lead to incorrect results. In this article we present a simple example to illustrate this point. The example consists of N scalar fields in 0+1 dimensions interacting with a U(1) gauge field in the presence of a Chern-Simons term. In this example the path integral can be done exactly, the procedure of deformation of the contour of path integration

  16. On the algebraic K-theory of the complex K-theory spectrum

    NASA Astrophysics Data System (ADS)

    Ausoni, Christian

    2010-03-01

    Let p>3 be a prime, let ku be the connective complex K-theory spectrum, and let K(ku) be the algebraic K-theory spectrum of ku. We study the p-primary homotopy type of the spectrum K(ku) by computing its mod (p,v_1) homotopy groups. We show that up to a finite summand, these groups form a finitely generated free module over a polynomial algebra F_p[b], where b is a class of degree 2p+2 defined as a higher Bott element.

  17. Density functional theory calculations of Rh-β-diketonato complexes.

    PubMed

    Conradie, J

    2015-01-28

    Density functional theory (DFT) results on the geometry, energies and charges of selected Rh-β-diketonato reactants, products and transition states are discussed. Various DFT techniques are used to increase our understanding of the orientation of ligands coordinated to Rh, to identify the lowest energy geometry of possible geometrical isomers and to get a molecular orbital understanding of ground and transition states. Trends and relationships obtained between DFT calculated energies and charges, experimentally measured values and electronic parameters describing the electron donating power of groups and ligands, enable the design of ligands and complexes of specific reactivity. PMID:25429658

  18. LOGIC ANALYSIS: TESTING PROGRAM THEORY TO BETTER EVALUATE COMPLEX INTERVENTIONS

    PubMed Central

    Rey, Lynda; Brousselle, Astrid; Dedobbeleer, Nicole

    2016-01-01

    Evaluating complex interventions requires an understanding of the program’s logic of action. Logic analysis, a specific type of program theory evaluation based on scientific knowledge, can help identify either the critical conditions for achieving desired outcomes or alternative interventions for that purpose. In this article, we outline the principles of logic analysis and its roots. We then illustrate its use with an actual evaluation case. Finally, we discuss the advantages of conducting logic analysis prior to other types of evaluations. This article will provide evaluators with both theoretical and practical information to help them in conceptualizing their evaluations.

  19. Complex adaptive systems and game theory: An unlikely union

    USGS Publications Warehouse

    Hadzikadic, M.; Carmichael, T.; Curtin, C.

    2010-01-01

    A Complex Adaptive System is a collection of autonomous, heterogeneous agents, whose behavior is defined with a limited number of rules. A Game Theory is a mathematical construct that assumes a small number of rational players who have a limited number of actions or strategies available to them. The CAS method has the potential to alleviate some of the shortcomings of GT. On the other hand, CAS researchers are always looking for a realistic way to define interactions among agents. GT offers an attractive option for defining the rules of such interactions in a way that is both potentially consistent with observed real-world behavior and subject to mathematical interpretation. This article reports on the results of an effort to build a CAS system that utilizes GT for determining the actions of individual agents. ?? 2009 Wiley Periodicals, Inc. Complexity, 16,24-42, 2010.

  20. Antiretroviral activity of thiosemicarbazone metal complexes.

    PubMed

    Pelosi, Giorgio; Bisceglie, Franco; Bignami, Fabio; Ronzi, Paola; Schiavone, Pasqualina; Re, Maria Carla; Casoli, Claudio; Pilotti, Elisabetta

    2010-12-23

    Thiosemicarbazones display a wide antimicrobial activity by targeting bacteria, fungi, and viruses. Here, we report our studies on the antiviral activity of two thiosemicarbazone metal complexes, [bis(citronellalthiosemicarbazonato)nickel(II)] and [aqua(pyridoxalthiosemicarbazonato)copper(II)] chloride monohydrate, against the retroviruses HIV-1 and HTLV-1/-2. Both compounds exhibit antiviral properties against HIV but not against HTLVs . In particular, the copper complex shows the most potent anti-HIV activity by acting at the post-entry steps of the viral cycle. PMID:21121632

  1. Pedagogy of complex relationality exploring complexity theory, neuro-phenomenology, and attentiveness for education

    NASA Astrophysics Data System (ADS)

    Khattar, Randa

    What do the new sciences of complex relationality offer education? This work draws on complexity theory, neurological understandings of biology and phenomenology, and attentiveness to study what the new sciences might offer education and the possibilities of a pedagogical understanding of embodied knowing. Complexity theory provides understandings of local-global relationality, self-organization, far-from-equilibrium conditions, and emergent dynamics that are important for describing pedagogical relationality. In itself, however, complexity theory is lacking an attention to issues of embodiment that respond directly to an ethical understanding of relationality. Phenomenology provides important views on the human experience of perception, for example, Merleau-Ponty's, whose research opens up possibilities for embodiment and attentiveness. At the level of pedagogical practice, I will pose, following biologists Humberto Maturana and Francisco Varela's autopoietic self-making understanding of life, that attentiveness perspectives, which have been largely absent from western pedagogical theory and practice, are crucial to promoting embodied knowing for education. Maturana and Varela's autopoietic perspective offers an embodied understanding of living---and therefore education---which opens up necessary attentive spaces to listen to one another in non judgmental awareness in the present moment of experience. I offer insights into a relationally complex conception of education drawing on this biological and autopoietically-grounded framework. These insights are framed in the context of five clusters of relations: (1) emergence, far-from-equilibrium, and local-global relationality; (2) autopoietic autonomy, structural determination and sensory-motor coupling; (3) triggering perturbations, structural plasticity, and autopoietic organization; (4) knowing as adequate action, domains of interaction, and blind spots; and (5) attentiveness and responsive relationality. Four

  2. Embracing complexity: theory, cases and the future of bioethics.

    PubMed

    Wilson, James

    2014-01-01

    This paper reflects on the relationship between theory and practice in bioethics, by using various concepts drawn from debates on innovation in healthcare research--in particular debates around how best to connect up blue skies 'basic' research with practical innovations that can improve human lives. It argues that it is a mistake to assume that the most difficult and important questions in bioethics are the most abstract ones, and also a mistake to assume that getting clear about abstract cases will automatically be of much help in getting clear about more complex cases. It replaces this implicitly linear model with a more complex one that draws on the idea of translational research in healthcare. On the translational model, there is a continuum of cases from the most simple and abstract (thought experiments) to the most concrete and complex (real world cases). Insights need to travel in both directions along this continuum--from the more abstract to the more concrete and from the more concrete to the more abstract. The paper maps out some difficulties in moving from simpler to more complex cases, and in doing so makes recommendations about the future of bioethics. PMID:25434061

  3. Applications of dynamical complexity theory in traditional Chinese medicine.

    PubMed

    Ma, Yan; Sun, Shuchen; Peng, Chung-Kang

    2014-09-01

    Traditional Chinese medicine (TCM) has been gradually accepted by the world. Despite its widespread use in clinical settings, a major challenge in TCM is to study it scientifically. This difficulty arises from the fact that TCM views human body as a complex dynamical system, and focuses on the balance of the human body, both internally and with its external environment. As a result, conventional tools that are based on reductionist approach are not adequate. Methods that can quantify the dynamics of complex integrative systems may bring new insights and utilities about the clinical practice and evaluation of efficacy of TCM. The dynamical complexity theory recently proposed and its computational algorithm, Multiscale Entropy (MSE) analysis, are consistent with TCM concepts. This new system level analysis has been successfully applied to many health and disease related topics in medicine. We believe that there could be many promising applications of this dynamical complexity concept in TCM. In this article, we propose some promising applications and research areas that TCM practitioners and researchers can pursue. PMID:25204292

  4. Multiagent model and mean field theory of complex auction dynamics

    NASA Astrophysics Data System (ADS)

    Chen, Qinghua; Huang, Zi-Gang; Wang, Yougui; Lai, Ying-Cheng

    2015-09-01

    Recent years have witnessed a growing interest in analyzing a variety of socio-economic phenomena using methods from statistical and nonlinear physics. We study a class of complex systems arising from economics, the lowest unique bid auction (LUBA) systems, which is a recently emerged class of online auction game systems. Through analyzing large, empirical data sets of LUBA, we identify a general feature of the bid price distribution: an inverted J-shaped function with exponential decay in the large bid price region. To account for the distribution, we propose a multi-agent model in which each agent bids stochastically in the field of winner’s attractiveness, and develop a theoretical framework to obtain analytic solutions of the model based on mean field analysis. The theory produces bid-price distributions that are in excellent agreement with those from the real data. Our model and theory capture the essential features of human behaviors in the competitive environment as exemplified by LUBA, and may provide significant quantitative insights into complex socio-economic phenomena.

  5. Critical reflections for understanding the complexity of psychodramatic theory.

    PubMed

    Drakulić, Aleksandra Mindoljević

    2014-03-01

    While being best known as a method of group psychotherapy, classical psychodrama takes on much broader and more complex meanings associated with: theory of roles, education, interactive improvisation theatre and many other contextual frameworks. The meta-theoretical context in which psychodrama is analysed in this work is first of all clinical, psychiatric and psychotherapeutic. In the past ninety years the development of psychodrama in the world has been influenced by many social events and sundry psychology movements. In her work the author describes and analyses the theory of psychodrama in the context of a behavioural and psychoanalytic perspective. She illustrates its origin and connects it with the influence of ancient drama and the developmental concept of modern European theatre in the first half of the last century, the magic/religious tradition of Indian tribes, constructivism and postmodernism, and the deterministic chaos theory. All the mentioned theoretical backgrounds have in their different ways co-created and contributed to the flexibility, integrity and universality of the psychodramatic method and are mutually intertwined in both the theoretical and the practical, clinical sense. PMID:24608147

  6. Euclidean Complex Relativistic Mechanics: A New Special Relativity Theory

    NASA Astrophysics Data System (ADS)

    Vossos, Spyridon; Vossos, Elias

    2015-09-01

    Relativity Theory (RT) was fundamental for the development of Quantum Mechanics (QMs). Special Relativity (SR), as is applied until now, cancels the transitive attribute in parallelism, when three observers are related, because Lorentz Boost (LB) is not closed transformation. In this presentation, considering Linear Spacetime Transformation (LSTT), we demand the maintenance of Minkowski Spacetime Interval (S2). In addition, we demand this LSTT to be closed, so there is no need for axes rotation. The solution is the Vossos Matrix (ΛB) containing real and imaginary numbers. As a result, space becomes complex, but time remains real. Thus, the transitive attribute in parallelism, which is equivalent to the Euclidean Request (ER), is also valid for moving observers. Choosing real spacetime for the unmoved observer (O), all the natural sizes are real, too. Using Vossos Transformation (VT) for moving observers, the four-vectors’ zeroth component (such as energy) is real, in contrast with spatial components that are complex, but their norm is real. It is proved that moving (relative to O) human O' meter length, according to Lorentz Boost (LB). In addition, we find Rotation Matrix Vossos-Lorentz (RBL) that turns natural sizes’ complex components to real. We also prove that Speed of Light in Vacuum (c) is invariant, when complex components are used and VT is closed for three sequential observers. After, we find out the connection between two moving (relative to O) observers: X"= ΛLO"(o) ΛLO(O') X', using Lorentz Matrix (ΛL). We applied this theory, finding relations between natural sizes, that are the same as these extracted by Classic Relativity (CR), when two observers are related (i.e. relativistic Doppler shift is the same). But, the results are different, when more than two observers are related. VT of Electromagnetic Tensor (Fμv), leads to Complex Electromagnetic Fields (CEMFs) for a moving observer. When the unmoved observer O and a moving observer O' are

  7. Collective dynamics of active filament complexes

    NASA Astrophysics Data System (ADS)

    Nogucci, Hironobu; Ishihara, Shuji

    2016-05-01

    Networks of biofilaments are essential for the formation of cellular structures that support various biological functions. For the most part, previous studies have investigated the collective dynamics of rodlike biofilaments; however, the shapes of the actual subcellular components are often more elaborate. In this study, we considered an active object composed of two active filaments, which represents the progression from rodlike biofilaments to complex-shaped biofilaments. Specifically, we numerically assessed the collective behaviors of these active objects in two dimensions and observed several types of dynamics, depending on the density and the angle of the two filaments as shape parameters of the object. Among the observed collective dynamics, a moving density band that we named a "moving smectic" is introduced here for the first time. By analyzing the trajectories of individual objects and the interactions among them, this study demonstrated how interactions among active biofilaments with complex shapes could produce collective dynamics in a nontrivial manner.

  8. Impact assessment procedures for sustainable development: A complexity theory perspective

    SciTech Connect

    Nooteboom, Sibout

    2007-10-15

    The author assumes that effective Impact Assessment procedures should somehow contribute to sustainable development. There is no widely agreed framework for evaluating such effectiveness. The author suggests that complexity theories may offer criteria. The relevant question is 'do Impact Assessment Procedures contribute to the 'requisite variety' of a social system for it to deal with changing circumstances?' Requisite variety theoretically relates to the capability of a system to deal with changes in its environment. The author reconstructs how thinking about achieving sustainable development has developed in a sequence of discourses in The Netherlands since the 1970s. Each new discourse built on the previous ones, and is supposed to have added to 'requisite variety'. The author asserts that Impact Assessment procedures may be a necessary component in such sequences and derives possible criteria for effectiveness.

  9. Wakes in complex plasmas: A self-consistent kinetic theory

    NASA Astrophysics Data System (ADS)

    Kompaneets, Roman; Morfill, Gregor E.; Ivlev, Alexei V.

    2016-06-01

    In ground-based experiments with complex (dusty) plasmas, charged microparticles are levitated against gravity by an electric field, which also drives ion flow in the parent gas. Existing analytical approaches to describe the electrostatic interaction between microparticles in such conditions generally ignore the field and ion-neutral collisions, assuming free ion flow with a certain approximation for the ion velocity distribution function (usually a shifted Maxwellian). We provide a comprehensive analysis of our previously proposed self-consistent kinetic theory including the field, ion-neutral collisions, and the corresponding ion velocity distribution. We focus on various limiting cases and demonstrate how the interplay of these factors results in different forms of the shielding potential.

  10. Wakes in complex plasmas: A self-consistent kinetic theory.

    PubMed

    Kompaneets, Roman; Morfill, Gregor E; Ivlev, Alexei V

    2016-06-01

    In ground-based experiments with complex (dusty) plasmas, charged microparticles are levitated against gravity by an electric field, which also drives ion flow in the parent gas. Existing analytical approaches to describe the electrostatic interaction between microparticles in such conditions generally ignore the field and ion-neutral collisions, assuming free ion flow with a certain approximation for the ion velocity distribution function (usually a shifted Maxwellian). We provide a comprehensive analysis of our previously proposed self-consistent kinetic theory including the field, ion-neutral collisions, and the corresponding ion velocity distribution. We focus on various limiting cases and demonstrate how the interplay of these factors results in different forms of the shielding potential. PMID:27415371

  11. Complex network theory, streamflow, and hydrometric monitoring system design

    NASA Astrophysics Data System (ADS)

    Halverson, M. J.; Fleming, S. W.

    2015-07-01

    Network theory is applied to an array of streamflow gauges located in the Coast Mountains of British Columbia (BC) and Yukon, Canada. The goal of the analysis is to assess whether insights from this branch of mathematical graph theory can be meaningfully applied to hydrometric data, and, more specifically, whether it may help guide decisions concerning stream gauge placement so that the full complexity of the regional hydrology is efficiently captured. The streamflow data, when represented as a complex network, have a global clustering coefficient and average shortest path length consistent with small-world networks, which are a class of stable and efficient networks common in nature, but the observed degree distribution did not clearly indicate a scale-free network. Stability helps ensure that the network is robust to the loss of nodes; in the context of a streamflow network, stability is interpreted as insensitivity to station removal at random. Community structure is also evident in the streamflow network. A network theoretic community detection algorithm identified separate communities, each of which appears to be defined by the combination of its median seasonal flow regime (pluvial, nival, hybrid, or glacial, which in this region in turn mainly reflects basin elevation) and geographic proximity to other communities (reflecting shared or different daily meteorological forcing). Furthermore, betweenness analyses suggest a handful of key stations which serve as bridges between communities and might be highly valued. We propose that an idealized sampling network should sample high-betweenness stations, small-membership communities which are by definition rare or undersampled relative to other communities, and index stations having large numbers of intracommunity links, while retaining some degree of redundancy to maintain network robustness.

  12. How complexity emerges in urban systems: Theory of urban morphology

    NASA Astrophysics Data System (ADS)

    Goh, Segun; Choi, M. Y.; Lee, Keumsook; Kim, Kyung-min

    2016-05-01

    Human beings develop the land and transform land use patterns, constructing artificial structures. Among them, the city is a representative system and its morphology has attracted much attention. While most existing studies have been devoted to individual dynamics and focused on the proximity of specific areas of a city, we here pay attention to the city as a complex system, where interactions between individuals give rise to emergent properties. Specifically, analyzing the big data on every building in Seoul City, we specify the relevant interactions among constituents and probe the emergence of complex land use patterns. In particular, based on the empirical observations, we illustrate that interactions between land uses are frustrated, which serves as a basic postulate of the theory of urban morphology. We examine this conjecture with the help of a layered Ising-type model and disclose that the actual land use pattern emerges at the criticality of the system in the presence of heterogeneously distributed fields. It is also remarked that our model, allowing quantitative predictions, can easily be applied to other cities around the world.

  13. How complexity emerges in urban systems: Theory of urban morphology.

    PubMed

    Goh, Segun; Choi, M Y; Lee, Keumsook; Kim, Kyung-Min

    2016-05-01

    Human beings develop the land and transform land use patterns, constructing artificial structures. Among them, the city is a representative system and its morphology has attracted much attention. While most existing studies have been devoted to individual dynamics and focused on the proximity of specific areas of a city, we here pay attention to the city as a complex system, where interactions between individuals give rise to emergent properties. Specifically, analyzing the big data on every building in Seoul City, we specify the relevant interactions among constituents and probe the emergence of complex land use patterns. In particular, based on the empirical observations, we illustrate that interactions between land uses are frustrated, which serves as a basic postulate of the theory of urban morphology. We examine this conjecture with the help of a layered Ising-type model and disclose that the actual land use pattern emerges at the criticality of the system in the presence of heterogeneously distributed fields. It is also remarked that our model, allowing quantitative predictions, can easily be applied to other cities around the world. PMID:27300912

  14. Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory

    SciTech Connect

    Vukovic, Sinisa; Hay, Benjamin P.; Bryantsev, Vyacheslav S.

    2015-04-02

    The ability to predict the equilibrium constants for the formation of 1:1 uranyl:ligand complexes (log K1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We also use density functional theory (B3LYP) and the IEFPCM continuum solvation model to compute aqueous stability constants for UO22+ complexes with 18 donor ligands. Theoretical calculations permit reasonably good estimates of relative binding strengths, while the absolute log K1 values are significantly overestimated. Accurate predictions of the absolute log K1 values (root mean square deviation from experiment < 1.0 for log K1 values ranging from 0 to 16.8) can be obtained by fitting the experimental data for two groups of mono and divalent negative oxygen donor ligands. The utility of correlations is demonstrated for amidoxime and imide dioxime ligands, providing a useful means of screening for new ligands with strong chelate capability to uranyl.

  15. Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory

    DOE PAGESBeta

    Vukovic, Sinisa; Hay, Benjamin P.; Bryantsev, Vyacheslav S.

    2015-04-02

    The ability to predict the equilibrium constants for the formation of 1:1 uranyl:ligand complexes (log K1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We also use density functional theory (B3LYP) and the IEFPCM continuum solvation model to compute aqueous stability constants for UO22+ complexes with 18 donor ligands. Theoretical calculations permit reasonably good estimates of relative binding strengths, while the absolute log K1 values are significantly overestimated. Accurate predictions of the absolute log K1 values (root mean square deviation from experiment < 1.0 for log K1 values ranging from 0more » to 16.8) can be obtained by fitting the experimental data for two groups of mono and divalent negative oxygen donor ligands. The utility of correlations is demonstrated for amidoxime and imide dioxime ligands, providing a useful means of screening for new ligands with strong chelate capability to uranyl.« less

  16. Predicting stability constants for uranyl complexes using density functional theory.

    PubMed

    Vukovic, Sinisa; Hay, Benjamin P; Bryantsev, Vyacheslav S

    2015-04-20

    The ability to predict the equilibrium constants for the formation of 1:1 uranyl/ligand complexes (log K1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We use density functional theory (B3LYP) and the integral equation formalism polarizable continuum model (IEF-PCM) to compute aqueous stability constants for UO2(2+) complexes with 18 donor ligands. Theoretical calculations permit reasonably good estimates of relative binding strengths, while the absolute log K1 values are significantly overestimated. Accurate predictions of the absolute log K1 values (root-mean-square deviation from experiment <1.0 for log K1 values ranging from 0 to 16.8) can be obtained by fitting the experimental data for two groups of mono- and divalent negative oxygen donor ligands. The utility of correlations is demonstrated for amidoxime and imide dioxime ligands, providing a useful means of screening for new ligands with strong chelating capability to uranyl. PMID:25835578

  17. Complexity and Control: Towards a Rigorous Behavioral Theory of Complex Dynamical Systems

    NASA Astrophysics Data System (ADS)

    Ivancevic, Vladimir G.; Reid, Darryn J.

    We introduce our motive for writing this book on complexity and control with a popular "complexity myth," which seems to be quite wide spread among chaos and complexity theory fashionistas: Low-dimensional systems usually exhibit complex behaviours (which we know fromMay's studies of the Logisticmap), while high-dimensional systems usually exhibit simple behaviours (which we know from synchronisation studies of the Kuramoto model)... We admit that this naive view on complex (e.g., human) systems versus simple (e.g., physical) systems might seem compelling to various technocratic managers and politicians; indeed, the idea makes for appealing sound-bites. However, it is enough to see both in the equations and computer simulations of pendula of various degree - (i) a single pendulum, (ii) a double pendulum, and (iii) a triple pendulum - that this popular myth is plain nonsense. The only thing that we can learn from it is what every tyrant already knows: by using force as a strong means of control, it is possible to effectively synchronise even hundreds of millions of people, at least for a while.

  18. Modeling active memory: Experiment, theory and simulation

    NASA Astrophysics Data System (ADS)

    Amit, Daniel J.

    2001-06-01

    Neuro-physiological experiments on cognitively performing primates are described to argue that strong evidence exists for localized, non-ergodic (stimulus specific) attractor dynamics in the cortex. The specific phenomena are delay activity distributions-enhanced spike-rate distributions resulting from training, which we associate with working memory. The anatomy of the relevant cortex region and the physiological characteristics of the participating elements (neural cells) are reviewed to provide a substrate for modeling the observed phenomena. Modeling is based on the properties of the integrate-and-fire neural element in presence of an input current of Gaussian distribution. Theory of stochastic processes provides an expression for the spike emission rate as a function of the mean and the variance of the current distribution. Mean-field theory is then based on the assumption that spike emission processes in different neurons in the network are independent, and hence the input current to a neuron is Gaussian. Consequently, the dynamics of the interacting network is reduced to the computation of the mean and the variance of the current received by a cell of a given population in terms of the constitutive parameters of the network and the emission rates of the neurons in the different populations. Within this logic we analyze the stationary states of an unstructured network, corresponding to spontaneous activity, and show that it can be stable only if locally the net input current of a neuron is inhibitory. This is then tested against simulations and it is found that agreement is excellent down to great detail. A confirmation of the independence hypothesis. On top of stable spontaneous activity, keeping all parameters fixed, training is described by (Hebbian) modification of synapses between neurons responsive to a stimulus and other neurons in the module-synapses are potentiated between two excited neurons and depressed between an excited and a quiescent neuron

  19. Local Activity Principle:. the Cause of Complexity and Symmetry Breaking

    NASA Astrophysics Data System (ADS)

    Mainzer, Klaus

    2013-01-01

    The principle of local activity is precisely the missing concept to explain the emergence of complex patterns in a homogeneous medium. Leon O. Chua discovered and defined this principle in the theory of nonlinear electronic circuits in a mathematically rigorous way. The local principle can be generalized and proven at least for the class of nonlinear reaction-diffusion systems in physics, chemistry, biology and brain research. Recently, it was realized by memristors for nanoelectronic device applications in technical brains. In general, the emergence of complex patterns and structures is explained by symmetry breaking in homogeneous media. The principle of local activity is the cause of symmetry breaking in homogeneous media. We argue that the principle of local activity is really fundamental in science and can even be identified in quantum cosmology as symmetry breaking of local gauge symmetries generating the complexity of matter and forces in our universe. Finally, we consider applications in economic, financial, and social systems with the emergence of equilibrium states, symmetry breaking at critical points of phase transitions and risky acting at the edge of chaos. In any case, the driving causes of symmetry breaking and the emergence of complexity are locally active elements, cells, units, or agents.

  20. Socio-Cultural Context for Online Learning: A Case Study Viewed from Activity Theory Perspective

    ERIC Educational Resources Information Center

    Liu, Xiaojing

    2004-01-01

    The complexities of digital age pose challenge to existing instruction technology theory as it applies to a distance learning environment. Through the lens of Activity Theory, this study takes a broad picture of an online course and examines the socio-cultural factors affecting the success of a distance course as well as their complex…

  1. A Theory of Complex Adaptive Inquiring Organizations: Application to Continuous Assurance of Corporate Financial Information

    ERIC Educational Resources Information Center

    Kuhn, John R., Jr.

    2009-01-01

    Drawing upon the theories of complexity and complex adaptive systems and the Singerian Inquiring System from C. West Churchman's seminal work "The Design of Inquiring Systems" the dissertation herein develops a systems design theory for continuous auditing systems. The dissertation consists of discussion of the two foundational theories,…

  2. Rethinking Distance Learning Activities: A Comparison of Transactional Distance Theory and Activity Theory

    ERIC Educational Resources Information Center

    Kang, Haijun; Gyorke, Allan S.

    2008-01-01

    Despite its invaluable guidance to distance education development, transactional distance (TD) theory is not seamlessly synchronised with current field practice and lacks a social component. After it has provided over 30 years of guidance, there is now a need to re-appraise TD's propositions about distance learning activities. The social-cultural…

  3. Complexity, Chaos, and Nonlinear Dynamics: A New Perspective on Career Development Theory

    ERIC Educational Resources Information Center

    Bloch, Deborah P.

    2005-01-01

    The author presents a theory of career development drawing on nonlinear dynamics and chaos and complexity theories. Career is presented as a complex adaptive entity, a fractal of the human entity. Characteristics of complex adaptive entities, including (a) autopiesis, or self-regeneration; (b) open exchange; (c) participation in networks; (d)…

  4. Zinc surface complexes on birnessite: A density functional theory study

    SciTech Connect

    Kwon, Kideok D.; Refson, Keith; Sposito, Garrison

    2009-01-05

    Biogeochemical cycling of zinc is strongly influenced by sorption on birnessite minerals (layer-type MnO2), which are found in diverse terrestrial and aquatic environments. Zinc has been observed to form both tetrahedral (Zn{sup IV}) and octahedral (Zn{sup VI}) triple-corner-sharing surface complexes (TCS) at Mn(IV) vacancy sites in hexagonal birnessite. The octahedral complex is expected to be similar to that of Zn in the Mn oxide mineral, chalcophanite (ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O), but the reason for the occurrence of the four-coordinate Zn surface species remains unclear. We address this issue computationally using spin-polarized Density Functional Theory (DFT) to examine the Zn{sub IV}-TCS and Zn{sup VI}-TCS species. Structural parameters obtained by DFT geometry optimization were in excellent agreement with available experimental data on Zn-birnessites. Total energy, magnetic moments, and electron-overlap populations obtained by DFT for isolated Zn{sup IV}-TCS revealed that this species is stable in birnessite without a need for Mn(III) substitution in the octahedral sheet and that it is more effective in reducing undersaturation of surface O at a Mn vacancy than is Zn{sub VI}-TCS. Comparison between geometry-optimized ZnMn{sub 3}O{sub 7} {center_dot} 3H{sub 2}O (chalcophanite) and the hypothetical monohydrate mineral, ZnMn{sub 3}O{sub 7} {center_dot} H{sub 2}O, which contains only tetrahedral Zn, showed that the hydration state of Zn significantly affects birnessite structural stability. Finally, our study also revealed that, relative to their positions in an ideal vacancy-free MnO{sub 2}, Mn nearest to Zn in a TCS surface complex move toward the vacancy by 0.08-0.11 {angstrom}, while surface O bordering the vacancy move away from it by 0.16-0.21 {angstrom}, in agreement with recent X-ray absorption spectroscopic analyses.

  5. Activity Theory as a Framework For Designing Constructivist Learning Environments.

    ERIC Educational Resources Information Center

    Jonassen, David H.; Rohrer-Murphy, Lucia

    1999-01-01

    Defines activity theory as a socio-cultural and socio-historical lens through which the interaction of human activity and consciousness within its relevant environmental context can be analyzed. Describes how activity theory can be used as a framework for analyzing activities and settings for the purpose of designing constructivist learning…

  6. Complex networks in brain electrical activity

    NASA Astrophysics Data System (ADS)

    Ray, C.; Ruffini, G.; Marco-Pallarés, J.; Fuentemilla, L.; Grau, C.

    2007-08-01

    This letter reports a method to extract a functional network of the human brain from electroencephalogram measurements. A network analysis was performed on the resultant network and the statistics of the cluster coefficient, node degree, path length, and physical distance of the links, were studied. Even given the low electrode count of the experimental data the method was able to extract networks with network parameters that clearly depend on the type of stimulus presented to the subject. This type of analysis opens a door to studying the cerebral networks underlying brain electrical activity, and links the fields of complex networks and cognitive neuroscience.

  7. Applicability of Complexity Theory to Martian Fluvial Systems: A Preliminary Analysis

    NASA Technical Reports Server (NTRS)

    Rosenshein, E. B.

    2003-01-01

    In the last 15 years, terrestrial geomorphology has been revolutionized by the theories of chaotic systems, fractals, self-organization, and selforganized criticality. Except for the application of fractal theory to the analysis of lava flows and rampart craters on Mars, these theories have not yet been applied to problems of Martian landscape evolution. These complexity theories are elucidated below, along with the methods used to relate these theories to the realities of Martian fluvial systems.

  8. Active matter transport on complex substrates

    NASA Astrophysics Data System (ADS)

    Olson Reichhardt, C. J.; Ray, D.; Reichhardt, C.

    2014-09-01

    Colloids interacting with complex landscapes created by optical means exhibit a remarkable variety of novel orderings and equilibrium states. It is also possible to study nonequilibrium properties for colloids driven over optical traps when there is an additional external electric field or some other form of external driving. Recently a new type of colloidal system has been realized in which the colloids are self-driven or self-motile and undergo a persistent random walk. Self motile particle systems fall into the broader class of self-driven systems called active matter. For the case of externally driven colloidal particles moving over random or periodic arrangements of traps, various types of pinning or jamming effects can arise. Far less is known about the mobility of active matter particles in the presence or random or periodic substrates. For example, it is not known whether increasing the activity of the particles would reduce the jamming effects caused by effective friction between particles. Here we show by varying the activity and the density of active particles that various types of motion can arise. In some cases, increasing the self-driving leads to a reduction in the net flow of particles through the system.

  9. Biological activity of ruthenium nitrosyl complexes.

    PubMed

    Tfouni, Elia; Truzzi, Daniela Ramos; Tavares, Aline; Gomes, Anderson Jesus; Figueiredo, Leonardo Elias; Franco, Douglas Wagner

    2012-01-01

    Nitric oxide plays an important role in various biological processes, such as neurotransmission, blood pressure control, immunological responses, and antioxidant action. The control of its local concentration, which is crucial for obtaining the desired effect, can be achieved with exogenous NO-carriers. Coordination compounds, in particular ruthenium(III) and (II) amines, are good NO-captors and -deliverers. The chemical and photochemical properties of several ruthenium amine complexes as NO-carriers in vitro and in vivo have been reviewed. These nitrosyl complexes can stimulate mice hippocampus slices, promote the lowering of blood pressure in several in vitro and in vivo models, and control Trypanosoma cruzi and Leishmania major infections, and they are also effective against tumor cells in different models of cancer. These complexes can be activated chemically or photochemically, and the observed biological effects can be attributed to the presence of NO in the compound. Their efficiencies are explained on the basis of the [Ru(II)NO(+)](3+)/[Ru(II)NO(0)](2+) reduction potential, the specific rate constant for NO liberation from the [RuNO](2+) moiety, and the quantum yield of NO release. PMID:22178685

  10. Transition path theory analysis of c-Src kinase activation.

    PubMed

    Meng, Yilin; Shukla, Diwakar; Pande, Vijay S; Roux, Benoît

    2016-08-16

    Nonreceptor tyrosine kinases of the Src family are large multidomain allosteric proteins that are crucial to cellular signaling pathways. In a previous study, we generated a Markov state model (MSM) to simulate the activation of c-Src catalytic domain, used as a prototypical tyrosine kinase. The long-time kinetics of transition predicted by the MSM was in agreement with experimental observations. In the present study, we apply the framework of transition path theory (TPT) to the previously constructed MSM to characterize the main features of the activation pathway. The analysis indicates that the activating transition, in which the activation loop first opens up followed by an inward rotation of the αC-helix, takes place via a dense set of intermediate microstates distributed within a fairly broad "transition tube" in a multidimensional conformational subspace connecting the two end-point conformations. Multiple microstates with negligible equilibrium probabilities carry a large transition flux associated with the activating transition, which explains why extensive conformational sampling is necessary to accurately determine the kinetics of activation. Our results suggest that the combination of MSM with TPT provides an effective framework to represent conformational transitions in complex biomolecular systems. PMID:27482115

  11. Activity Theory and Higher Education: Evaluating Learning Technologies

    ERIC Educational Resources Information Center

    Scanlon, E.; Issroff, K.

    2005-01-01

    This paper examines current practice in the evaluation of learning technology in the UK and proposes a new approach informed by Activity Theory. It is based on our experiences of using Activity Theory to understand students' and lecturers' experiences of technology-based teaching environments. We discuss the activity of evaluating learning…

  12. Strategies and Rubrics for Teaching Complex Systems Theory to Novices (Invited)

    NASA Astrophysics Data System (ADS)

    Fichter, L. S.

    2010-12-01

    algorithms, etc.) leading to 19 learning outcomes that encompass most of the universality properties that characterize complex systems. They are developed in a specific order to achieve specific ends of understanding. We use these models in various depths and formats in courses ranging from gened courses, to evolutionary systems and environmental systems, to upper level geology courses. Depending on the goals of a course, the learning outcomes can be applied to understanding many other complex systems; e.g. oscillating chemical reactions (reaction-diffusion and activator-inhibitor systems), autocatalytic networks, hysteresis (bistable) systems, networks, and the rise/collapse of complex societies. We use these and other complex systems concepts in various classes to talk about the origin of life, ecosystem organization, game theory, extinction events, and environmental system behaviors. The applications are almost endless. The complete learning progression with models, computer programs, experiments, and learning outcomes is available at: www.jmu.edu/geology/ComplexEvolutionarySystems/

  13. Quantifying the Complexity of Flaring Active Regions

    NASA Astrophysics Data System (ADS)

    Stark, B.; Hagyard, M. J.

    1997-05-01

    While solar physicists have a better understanding of the importance magnetic fields play in the solar heating mechanism, it is still not possible to predict whether or when an active region will flare. In recent decades, qualitative studies of the changes in active region morphology have shown that there is generally an increase in the complexity of the spatial configuration of a solar active region leading up to a flare event. In this study, we quantify the spatial structure of the region using the Differential Box-Counting Method (DBC)of fractal analysis. We analyze data from NASA/Marshall Space Flight Center's vector magnetograph from two flaring active regions: AR 6089 from June 10, 1990, which produced one M1.7 flare, and AR 6659 from June 8, 9 and 10, 1991, this data set including one C5.7 and two M(6.4 and 3.2) flares. (AR 6659 produced several other flares). Several magnetic parameters are studied, including the transverse and longitudinal magnetic field components (Bt and Bl), the total field (Bmag), and the magnetic shear, which describes the non-potentiality of the field. Results are presented for the time series of magnetograms in relation to the timing of flare events.

  14. Quantifying the Complexity of Flaring Active Regions

    NASA Technical Reports Server (NTRS)

    Stark, B.; Hagyard, M. J.

    1997-01-01

    While solar physicists have a better understanding of the importance magnetic fields play in the solar heating mechanism, it is still not possible to predict whether or when an active region will flare. In recent decades, qualitative studies of the changes in active region morphology have shown that there is generally an increase in the complexity of the spatial configuration of a solar active region leading up to a flare event. In this study, we quantify the spatial structure of the region using the differential Box-Counting Method (DBC) of fractal analysis. We analyze data from NASA/Marshall Space Flight Centr's vector magnetograph from two flaring active regions: AR 6089 from June 10, 1990, which produced one M1.7 flare, and AR 6659 from June 8, 9 and 10, 1991, this data set including one C5.7 and two M(6.4 and 3.2) flare. (AR 6659 produced several other flares). Several magnetic parameters are studied, including the transverse and longitudinal magnetic field components (Bt and B1), the total field (Bmag), and the magnetic shear, which describes the non-potentiality of the field. Results are presented for the time series of magnetograms in relation to the timing of flare events.

  15. Activity Theory and Situated Learning Theory: Contrasting Views of Educational Practice

    ERIC Educational Resources Information Center

    Arnseth, Hans Christian

    2008-01-01

    The purpose of this article is to offer a critical discussion of the practice turn in contemporary educational research. In order to make the discussion specific, I use two influential theories, namely activity theory and situated learning theory. They both turn to the notion of practice in order to overcome the limitations of mentalist and…

  16. Complexity and Chaos Theories as Potential Paradigms for Understanding and Treating Dissociative Disorders.

    NASA Astrophysics Data System (ADS)

    Drinkard, Lynne Bradford

    1995-01-01

    Early systems theory was a precursor of complexity theory, a global theory that suggests that the universe is an open system interacting on many dimensions. Chaos theory, a subset of complexity theory, states that in seeming chaos there is an underlying order. Between chaos and order lies emergence, from which healthy growth and change occur. Twenty years ago, chaos theory did not have a name and dissociative disorders were largely written off as rare or more imaginative than real. After physicists and mathematicians explained chaos and complexity in language understood by those outside their fields, scientists and practitioners from disparate disciplines were struck by the potential for applying the theories to their respective fields. Complexity and chaos theory combine reductionistic and holistic approaches to explain phenomena. Many mental health practitioners have suggested that a systems framework based in complexity theory may lead to greater understanding of human nature and ultimately toward more effective treatment of different disorders. This paper proposes that complexity and chaos theories may offer insight into the efficacy of various treatments for dissociative disorders.

  17. Attachment-dissociation network: some thoughts about a modern complex theory.

    PubMed

    Bovensiepen, Gustav

    2006-06-01

    The paper revises the complex theory in the light of modern infant research, neurosciences and object relation theory. The author takes up Jean Knox's idea to understand complexes as analogies to the internal working models of attachment theory. The author proposes to understand complexes as dissociated sub-networks out of the network structure of the psyche; these sub-networks contain the internal working models, the characteristic affects and unconscious expectation phantasies. With this network model one can try to understand severe defensive organizations in some patients as a pathological organization of different complexes. This is illustrated by a clinical example. PMID:16712687

  18. Newton and Colour: The Complex Interplay of Theory and Experiment.

    ERIC Educational Resources Information Center

    Martins, Roberto De Andrade; Silva, Cibelle Celestino

    2001-01-01

    Elucidates some aspects of Newton's theory of light and colors, specifically as presented in his first optical paper in 1672. Analyzes Newton's main experiments intended to show that light is a mixture of rays with different refrangibilities. (SAH)

  19. Community Service-Learning and Cultural-Historical Activity Theory

    ERIC Educational Resources Information Center

    Taylor, Alison

    2014-01-01

    This paper explores the potential of cultural-historical activity theory (CHAT), to provide new insights into community service-learning (CSL) in higher education. While CSL literature acknowledges the influences of John Dewey and Paolo Freire, discussion of the potential contribution of cultural-historical activity theory, rooted in the work of…

  20. Teaching Sociological Theory through Active Learning: The Irrigation Exercise

    ERIC Educational Resources Information Center

    Holtzman, Mellisa

    2005-01-01

    For students, theory is often one of the most daunting aspects of sociology--it seems abstract, removed from the concrete events of their everyday lives, and therefore intimidating. In an attempt to break down student resistance to theory, instructors are increasingly turning to active learning approaches. Active learning exercises, then, appear…

  1. On the complex interplay between learning and dynamics in life sciences. Comment on the paper "Collective learning modeling based on the kinetic theory of active particles" by Burini et al.

    NASA Astrophysics Data System (ADS)

    Bellomo, Nicola; Elaiw, Ahmed; Alghamdi, Mohamed Ali

    2016-03-01

    The paper by Burini, De Lillo, and Gibelli [8] presents an overview and critical analysis of the literature on the modeling of learning dynamics. The first reference is the celebrated paper by Cucker and Smale [9]. Then, the authors also propose their own approach, based on suitable development of methods of the kinetic theory [6] and theoretical tools of evolutionary game theory [12,13], recently developed on graphs [2].

  2. Graph theory and stability analysis of protein complex interaction networks.

    PubMed

    Huang, Chien-Hung; Chen, Teng-Hung; Ng, Ka-Lok

    2016-04-01

    Protein complexes play an essential role in many biological processes. Complexes can interact with other complexes to form protein complex interaction network (PCIN) that involves in important cellular processes. There are relatively few studies on examining the interaction topology among protein complexes; and little is known about the stability of PCIN under perturbations. We employed graph theoretical approach to reveal hidden properties and features of four species PCINs. Two main issues are addressed, (i) the global and local network topological properties, and (ii) the stability of the networks under 12 types of perturbations. According to the topological parameter classification, we identified some critical protein complexes and validated that the topological analysis approach could provide meaningful biological interpretations of the protein complex systems. Through the Kolmogorov-Smimov test, we showed that local topological parameters are good indicators to characterise the structure of PCINs. We further demonstrated the effectiveness of the current approach by performing the scalability and data normalization tests. To measure the robustness of PCINs, we proposed to consider eight topological-based perturbations, which are specifically applicable in scenarios of targeted, sustained attacks. We found that the degree-based, betweenness-based and brokering-coefficient-based perturbations have the largest effect on network stability. PMID:26997661

  3. Comfort Theory: Unraveling the Complexities of Veterans' Health Care Needs.

    PubMed

    Boudiab, Lina Daou; Kolcaba, Katharine

    2015-01-01

    The health care needs of veterans, especially those who have served in combat zones and their families are complicated, challenging, and interrelated. Physical limitations impact mental health, and mental health problems affect every aspect of adjustment to civilian life. Comfort theory offers a simple and holistic pattern for identifying needs, creating interventions to meet those needs, and evaluating the effects of those interventions. The aim of this article is to demonstrate how comfort theory has been applied throughout 1 Veterans Administration System to fulfill the goal of providing quality veteran-centric care. The application of comfort theory to daily patient and family care, discharge planning, and follow-up in various settings, as well as ways to enhance institutional integrity and branding are discussed. PMID:26517339

  4. Toward a quantitative theory of self-generated complexity

    SciTech Connect

    Grassberger, P.

    1986-09-01

    Quantities are defined operationally which qualify as measures of complexity of patterns arising in physical situations. Their main features, distinguishing them from previously used quantities, are the following: (1) they are measure-theoretic concepts, more closely related to Shannon entropy than to computational complexity; and (2) they are observables related to ensembles of patterns, not to individual patterns. Indeed, they are essentially Shannon information needed to specify not individual patterns, but either measure-theoretic or algebraic properties of ensembles of patterns arising in a priori translationally invariant situations. Numerical estimates of these complexities are given for several examples of patterns created by maps and by cellular automata.

  5. Critical Curriculum Theory and Slow Ecopedagogical Activism

    ERIC Educational Resources Information Center

    Payne, Phillip G.

    2015-01-01

    Enacting a critical environmental education curriculum theory with 8- to 9-year-old children in 1978 is now "restoried" in a "history of the present/future" like "case study" for prosecuting five interrelated problems confronting progress in environmental education and its research. They are: the intense heat of the…

  6. Epigenetics of complex diseases: from general theory to laboratory experiments.

    PubMed

    Schumacher, A; Petronis, A

    2006-01-01

    Despite significant effort, understanding the causes and mechanisms of complex non-Mendelian diseases remains a key challenge. Although numerous molecular genetic linkage and association studies have been conducted in order to explain the heritable predisposition to complex diseases, the resulting data are quite often inconsistent and even controversial. In a similar way, identification of environmental factors causal to a disease is difficult. In this article, a new interpretation of the paradigm of "genes plus environment" is presented in which the emphasis is shifted to epigenetic misregulation as a major etiopathogenic factor. Epigenetic mechanisms are consistent with various non-Mendelian irregularities of complex diseases, such as the existence of clinically indistinguishable sporadic and familial cases, sexual dimorphism, relatively late age of onset and peaks of susceptibility to some diseases, discordance of monozygotic twins and major fluctuations on the course of disease severity. It is also suggested that a substantial portion of phenotypic variance that traditionally has been attributed to environmental effects may result from stochastic epigenetic events in the cell. It is argued that epigenetic strategies, when applied in parallel with the traditional genetic ones, may significantly advance the discovery of etiopathogenic mechanisms of complex diseases. The second part of this chapter is dedicated to a review of laboratory methods for DNA methylation analysis, which may be useful in the study of complex diseases. In this context, epigenetic microarray technologies are emphasized, as it is evident that such technologies will significantly advance epigenetic analyses in complex diseases. PMID:16909908

  7. [From the seduction theory to the oedipus complex].

    PubMed

    Alvarez Lince, Bernardo

    2005-01-01

    The author reviews the Freudian theory of seduction as it was presented in the last decade of the XIX century. Freud began to talk about the effects of the seduction in the clinical history of Katherine, (Studies on Hysteria, 1893 - 1895). In 1896 in Heredity and the Aetiology of the Neuroses, Freud considered the seduction as the specific cause of the psychoneurosis, and latter in The Aetiology of Hysteria, he separated himself from Breuer and Charcot. In Further Remarks on The Neuro - Psychoses of Defense, Freud relates seduction with repression. The author thinks that his father death makes him doubt this theory. These oscillations went hand in hand with his auto-analysis, as it is related in the letters of October 3 and 15, 1897. In these letters the love to the mother and the jealousy to the father are introduced as key features. Nevertheless, the theory of seduction comes back recurrently in the works of Freud, and as late as 1906, in My Views on the Part Played by Sexuality in the Aetiology of the Neurose, he seems to down play the importance as a aetiology feature, considering that the hysterical patient falsified his memories and replaced them with fantasies. Towards the end of his life, in An Outline of Psycho - Analysis, Freud stated that the cares of the mother makes her in the first seducer of the child. According to Etchegoyen (2003), Freud never abandoned the theory of seduction. PMID:16220155

  8. The activation strain model and molecular orbital theory

    PubMed Central

    Wolters, Lando P; Bickelhaupt, F Matthias

    2015-01-01

    The activation strain model is a powerful tool for understanding reactivity, or inertness, of molecular species. This is done by relating the relative energy of a molecular complex along the reaction energy profile to the structural rigidity of the reactants and the strength of their mutual interactions: ΔE(ζ) = ΔEstrain(ζ) + ΔEint(ζ). We provide a detailed discussion of the model, and elaborate on its strong connection with molecular orbital theory. Using these approaches, a causal relationship is revealed between the properties of the reactants and their reactivity, e.g., reaction barriers and plausible reaction mechanisms. This methodology may reveal intriguing parallels between completely different types of chemical transformations. Thus, the activation strain model constitutes a unifying framework that furthers the development of cross-disciplinary concepts throughout various fields of chemistry. We illustrate the activation strain model in action with selected examples from literature. These examples demonstrate how the methodology is applied to different research questions, how results are interpreted, and how insights into one chemical phenomenon can lead to an improved understanding of another, seemingly completely different chemical process. WIREs Comput Mol Sci 2015, 5:324–343. doi: 10.1002/wcms.1221 PMID:26753009

  9. 2D Potential theory using complex functions and conformal mapping

    NASA Astrophysics Data System (ADS)

    Le Maire, Pauline; Munschy, Marc

    2016-04-01

    For infinitely horizontally extended bodies, functions that describe potential and field equations (gravity and magnetics) outside bodies are 2D and harmonic. The consequence of this property is that potential and field equations can be written as complex analytic functions. We define these complex functions whose real part is the commonly used real function and imaginary part is its Hilbert transform. Using data or synthetic cases the transformation is easily performed in the Fourier domain by setting to zero all values for negative frequencies. Written as complex functions of the complex variable, equations of potential and field in gravity and magnetics for different kinds of geometries are simple and correspond to powers of the inverse of the distance. For example, it is easily shown that for a tilted dyke, the dip and the apparent inclination have the same effect on the function and consequently that it is not possible, with data, to compute one of both values without knowing the other. Conformal mapping is an original way to display potential field functions. Considering that the complex variable corresponds to the real axis, complex potential field functions resume to a limaçon, a curve formed by the path of the point fixed to a circle when that circle rolls around the outside of another circle. For example, the point corresponding to the maximum distance to the origin of the complex magnetic field due to a cylinder, corresponds to the maximum of the analytic signal as defined by Nabighan in 1972 and its phase corresponds to the apparent inclination. Several applications are shown in different geological contexts using aeromagnetic data.

  10. Small Molecule Activation by Constrained Phosphorus Compounds: Insights from Theory.

    PubMed

    Pal, Amrita; Vanka, Kumar

    2016-01-19

    An exciting new development in main group chemistry has been the use of a constrained, "flat", phosphorus-based complex to mediate in reactions such as the dehydrogenation of ammonia borane (AB), and the activation of the N-H bond in primary amines. Its importance is based on the fact that it shows that main group compounds, when properly designed, can be as effective as transition metal complexes for doing significant chemical transformations. What the current computational study, employing density functional theory (DFT), reveals is that a common, general mechanism exists that accounts for the behavior of the flat phosphorus compound in the different reactions that have been experimentally reported to date. This mechanism, which involves the mediation by a base as a proton transfer agent, is simpler and energetically more favorable than the previous mechanisms that have been proposed for the same reactions in the literature. It is likely that the knowledge gained from the current work about the chemical behavior of this phosphorus compound can be utilized to design new constrained phosphorus-based compounds. PMID:26700074

  11. Complexity management theory: motivation for ideological rigidity and social conflict.

    PubMed

    Peterson, Jordan B; Flanders, Joseph L

    2002-06-01

    We are doomed to formulate conceptual structures that are much simpler than the complex phenomena they are attempting to account for. These simple conceptual structures shield us, pragmatically, from real-world complexity, but also fail, frequently, as some aspect of what we did not take into consideration makes itself manifest. The failure of our concepts dysregulates our emotions and generates anxiety, necessarily, as the unconstrained world is challenging and dangerous. Such dysregulation can turn us into rigid, totalitarian dogmatists, as we strive to maintain the structure of our no longer valid beliefs. Alternatively, we can face the underlying complexity of experience, voluntarily, gather new information, and recast and reconfigure the structures that underly our habitable worlds. PMID:12146676

  12. Economic Decision Making: Application of the Theory of Complex Systems

    NASA Astrophysics Data System (ADS)

    Kitt, Robert

    In this chapter the complex systems are discussed in the context of economic and business policy and decision making. It will be showed and motivated that social systems are typically chaotic, non-linear and/or non-equilibrium and therefore complex systems. It is discussed that the rapid change in global consumer behaviour is underway, that further increases the complexity in business and management. For policy making under complexity, following principles are offered: openness and international competition, tolerance and variety of ideas, self-reliability and low dependence on external help. The chapter contains four applications that build on the theoretical motivation of complexity in social systems. The first application demonstrates that small economies have good prospects to gain from the global processes underway, if they can demonstrate production flexibility, reliable business ethics and good risk management. The second application elaborates on and discusses the opportunities and challenges in decision making under complexity from macro and micro economic perspective. In this environment, the challenges for corporate management are being also permanently changed: the balance between short term noise and long term chaos whose attractor includes customers, shareholders and employees must be found. The emergence of chaos in economic relationships is demonstrated by a simple system of differential equations that relate the stakeholders described above. The chapter concludes with two financial applications: about debt and risk management. The non-equilibrium economic establishment leads to additional problems by using excessive borrowing; unexpected downturns in economy can more easily kill companies. Finally, the demand for quantitative improvements in risk management is postulated. Development of the financial markets has triggered non-linearity to spike in prices of various production articles such as agricultural and other commodities that has added market

  13. Zero-current potentials in a large membrane channel: a simple theory accounts for complex behavior.

    PubMed Central

    Zambrowicz, E B; Colombini, M

    1993-01-01

    Flow of ions through large channels is complex because both cations and anions can penetrate and multiple ions can be in the channel at the same time. A modification of the fixed-charge membrane theory of Teorell was reported (Peng, S., E. Blachly-Dyson, M. Forte, and M. Colombini. 1992. Biophys. J. 62:123-135) in which the channel is divided into two compartments: a relatively charged cylindrical shell of solution adjacent to the wall of the pore and a relatively neutral central cylinder of solution. The zero-current (reversal) potential results in current flow in opposite directions in these two compartments. This description accounted rather well for the observed reversal potential changes following site-directed mutations. Here we report the results of systematic tests of this simple theory with the mitochondrial channel, VDAC (isolated from Neurospora crassa), reconstituted into planar phospholipid membranes. The variation of the observed reversal potential with transmembrane activity ratio, ionic strength, ion mobility ratio, and net charge on the wall of the pore are accounted for reasonably well. The Goldman-Hodgkin-Katz theory fails to account for the observations. PMID:7694668

  14. Practical ethical theory for nurses responding to complexity in care.

    PubMed

    Fairchild, Roseanne Moody

    2010-05-01

    In the context of health care system complexity, nurses need responsive leadership and organizational support to maintain intrinsic motivation, moral sensitivity and a caring stance in the delivery of patient care. The current complexity of nurses' work environment promotes decreases in work motivation and moral satisfaction, thus creating motivational and ethical dissonance in practice. These and other work-related factors increase emotional stress and burnout for nurses, prompting both new and seasoned nurse professionals to leave their current position, or even the profession. This article presents a theoretical conceptual model for professional nurses to review and make sense of the ethical reasoning skills needed to maintain a caring stance in relation to the competing values that must coexist among nurses, health care administrators, patients and families in the context of the complex health care work environments in which nurses are expected to practice. A model, Nurses' Ethical Reasoning Skills, is presented as a framework for nurses' thinking through and problem solving ethical issues in clinical practice in the context of complexity in health care. PMID:20444776

  15. Object relations theory and activity theory: a proposed link by way of the procedural sequence model.

    PubMed

    Ryle, A

    1991-12-01

    An account of object relations theory (ORT), represented in terms of the procedural sequence model (PSM), is compared to the ideas of Vygotsky and activity theory (AT). The two models are seen to be compatible and complementary and their combination offers a satisfactory account of human psychology, appropriate for the understanding and integration of psychotherapy. PMID:1786224

  16. A SPATIALLY EXPLICIT HIERARCHICAL APPROACH TO MODELING COMPLEX ECOLOGICAL SYSTEMS: THEORY AND APPLICATIONS. (R827676)

    EPA Science Inventory

    Ecological systems are generally considered among the most complex because they are characterized by a large number of diverse components, nonlinear interactions, scale multiplicity, and spatial heterogeneity. Hierarchy theory, as well as empirical evidence, suggests that comp...

  17. Exploiting Complexity Information for Brain Activation Detection

    PubMed Central

    Zhang, Yan; Liang, Jiali; Lin, Qiang; Hu, Zhenghui

    2016-01-01

    We present a complexity-based approach for the analysis of fMRI time series, in which sample entropy (SampEn) is introduced as a quantification of the voxel complexity. Under this hypothesis the voxel complexity could be modulated in pertinent cognitive tasks, and it changes through experimental paradigms. We calculate the complexity of sequential fMRI data for each voxel in two distinct experimental paradigms and use a nonparametric statistical strategy, the Wilcoxon signed rank test, to evaluate the difference in complexity between them. The results are compared with the well known general linear model based Statistical Parametric Mapping package (SPM12), where a decided difference has been observed. This is because SampEn method detects brain complexity changes in two experiments of different conditions and the data-driven method SampEn evaluates just the complexity of specific sequential fMRI data. Also, the larger and smaller SampEn values correspond to different meanings, and the neutral-blank design produces higher predictability than threat-neutral. Complexity information can be considered as a complementary method to the existing fMRI analysis strategies, and it may help improving the understanding of human brain functions from a different perspective. PMID:27045838

  18. Exploiting Complexity Information for Brain Activation Detection.

    PubMed

    Zhang, Yan; Liang, Jiali; Lin, Qiang; Hu, Zhenghui

    2016-01-01

    We present a complexity-based approach for the analysis of fMRI time series, in which sample entropy (SampEn) is introduced as a quantification of the voxel complexity. Under this hypothesis the voxel complexity could be modulated in pertinent cognitive tasks, and it changes through experimental paradigms. We calculate the complexity of sequential fMRI data for each voxel in two distinct experimental paradigms and use a nonparametric statistical strategy, the Wilcoxon signed rank test, to evaluate the difference in complexity between them. The results are compared with the well known general linear model based Statistical Parametric Mapping package (SPM12), where a decided difference has been observed. This is because SampEn method detects brain complexity changes in two experiments of different conditions and the data-driven method SampEn evaluates just the complexity of specific sequential fMRI data. Also, the larger and smaller SampEn values correspond to different meanings, and the neutral-blank design produces higher predictability than threat-neutral. Complexity information can be considered as a complementary method to the existing fMRI analysis strategies, and it may help improving the understanding of human brain functions from a different perspective. PMID:27045838

  19. Perturbative N = 2 Supersymmetric Quantum Mechanics and L-Theory with Complex Coefficients

    NASA Astrophysics Data System (ADS)

    Berwick-Evans, Daniel

    2016-01-01

    We construct L-theory with complex coefficients from the geometry of 1|2-dimensional perturbative mechanics. Methods of perturbative quantization lead to wrong-way maps that we identify with those coming from the MSO orientation of L-theory tensored with the complex numbers. In particular, the total volume of a space of 1|2-dimensional vacua reads off the signature of a 4 k-dimensional oriented manifold.

  20. Gauge theory dynamics and Kähler potential for Calabi-Yau complex moduli

    NASA Astrophysics Data System (ADS)

    Doroud, Nima; Gomis, Jaume

    2013-12-01

    We compute the exact two-sphere partition function and matrix of two-point functions of operators in the chiral ring with their complex conjugates in two-dimensional supersymmetric gauge theories. For gauge theories that flow in the infrared to a CalabiYau nonlinear sigma model, these renormalization group invariant observables determine the exact Kähler potential and associated Zamolodchikov metric in the complex structure moduli space of the Calabi-Yau manifold.

  1. Complexity Theory: Inclusion of the Affective Domain in an Interactive Learning Model for Instructional Design.

    ERIC Educational Resources Information Center

    Tennyson, Robert D.; Nielsen, Milt

    1998-01-01

    Proposes an interactive learning model to serve as a psychological foundation for the field of instructional design theory. Topics include complexity theory, cognitive models of learning, cognitive and affective domains, sensory receptors component (memory) and the effects of external stimuli, affects component, cognitive strategies, and knowledge…

  2. Data from Eye-Tracking Corpora as Evidence for Theories of Syntactic Processing Complexity

    ERIC Educational Resources Information Center

    Demberg, Vera; Keller, Frank

    2008-01-01

    We evaluate the predictions of two theories of syntactic processing complexity, dependency locality theory (DLT) and surprisal, against the Dundee Corpus, which contains the eye-tracking record of 10 participants reading 51,000 words of newspaper text. Our results show that DLT integration cost is not a significant predictor of reading times for…

  3. Proton adsorption onto alumina: extension of multisite complexation (MUSIC) theory

    SciTech Connect

    Nagashima, K.; Blum, F.D.

    1999-09-01

    The adsorption isotherm of protons onto a commercial {gamma}-alumina sample was determined in aqueous nitric acid with sodium nitrate as a background electrolyte. Three discrete regions could be discerned in the log-log plots of the proton isotherm determined at the solution pH 5 to 2. The multisite complexation (MUSIC) model was modified to analyze the simultaneous adsorption of protons onto various kinds of surface species.

  4. Proton Adsorption onto Alumina: Extension of Multisite Complexation (MUSIC) Theory.

    PubMed

    Nagashima; Blum

    1999-09-01

    The adsorption isotherm of protons onto a commercial gamma-alumina sample was determined in aqueous nitric acid with sodium nitrate as a background electrolyte. Three discrete regions could be discerned in the log-log plots of the proton isotherm determined at the solution pH 5 to 2. The multisite complexation (MUSIC) model was modified to analyze the simultaneous adsorption of protons onto various kinds of surface species. Copyright 1999 Academic Press. PMID:10441408

  5. Theory of diffusion-influenced reactions in complex geometries.

    PubMed

    Galanti, Marta; Fanelli, Duccio; Traytak, Sergey D; Piazza, Francesco

    2016-06-21

    Chemical transformations involving the diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced reactions" (DIR). Virtually all biochemical processes in living media can be counted among them, together with those occurring in an ever-growing number of emerging nano-technologies. The role of the environment's geometry (obstacles, compartmentalization) and distributed reactivity (competitive reactants, traps) is key in modulating the rate constants of DIRs, and is therefore a prime design parameter. Yet, it is a formidable challenge to build a comprehensive theory that is able to describe the environment's "reactive geometry". Here we show that such a theory can be built by unfolding this many-body problem through addition theorems for special functions. Our method is powerful and general and allows one to study a given DIR reaction occurring in arbitrary "reactive landscapes", made of multiple spherical boundaries of given size and reactivity. Importantly, ready-to-use analytical formulas can be derived easily in most cases. PMID:27241805

  6. Dynamical Theory of Charge Transfer Between Complex Atoms and Surfaces

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Basudev; Marston, Brad

    2000-03-01

    An existing dynamical quantum many-body theory of charge transfer(A. V. Onufriev and J. B. Marston, Phys. Rev. B 53), 13340 (1996); J. Merino and J. B. Marston, Phys. Rev. B 58, 6982 (1998). describes atoms with simple s-orbitals, such as alkalis and alkaline-earths, interacting with metal surfaces. The many-body equations of motion (EOM) are developed systematically as an expansion in the number of surface particle-hole excitations. Here we generalize this theory to describe atoms with richer orbital structures, such as atomic oxygen. In the simplest version of the model, only the single-particle p_z-orbitals of the atom, the ones oriented perpendicular to the surface, participate directly in resonant charge transfer as they have the largest overlap with the metallic wavefunctions. However, as the several-electron Russell-Saunders eigenstates, labeled by total angular momenta quantum numbers J, L, and S, are built out of products of single-particle orbitals, non-trivial matrix elements must be incorporated into the many-body EOM's. Comparison to recent experimental results(A. C. Lavery, C. E. Sosolik, and B. H. Cooper, Nucl. Instrum. Meth. B 157), 42 (1999); A. C. Lavery et al. to appear in Phys. Rev. B. on the scattering of low-energy oxygen ions off Cu(001) surfaces is made.

  7. Complex fluids with robustly tunable optical properties: experiments and theory

    NASA Astrophysics Data System (ADS)

    Cong, T.; Wani, S. N.; Sangani, A. S.; Sureshkumar, R.; Syracuse University Team

    2011-03-01

    Fluids with tunable optical properties are of fundamental and practical interest. They can be easily processed to manufacture thin films and interfaces for applications such as molecular detection and light trapping in photovoltaics. We use solution phase self-assembly to uniformly distribute various metallic nanoparticles to produce stable suspensions with localized, multiple wavelength or broad-band optical properties. Their spectral response can be robustly modified by varying the species, concentration, size and/or shape of the nanoparticles. Spectral behavior for finite particle concentrations can be predicted by an effective medium theory developed in this work. Structure, rheology and optical properties of these plasmonic suspensions as well as their potential application to high efficiency photovoltaics design will be discussed. NSF Grant 1049454.

  8. Computational complexity of time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Whitfield, J. D.; Yung, M.-H.; Tempel, D. G.; Boixo, S.; Aspuru-Guzik, A.

    2014-08-01

    Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence of a fictitious non-interacting system (known as the Kohn-Sham system), which can reproduce the one-electron reduced probability density of the actual system. We build upon these works and show that on the interior of the domain of existence, the Kohn-Sham system can be efficiently obtained given the time-dependent density. We introduce a V-representability parameter which diverges at the boundary of the existence domain and serves to quantify the numerical difficulty of constructing the Kohn-Sham potential. For bounded values of V-representability, we present a polynomial time quantum algorithm to generate the time-dependent Kohn-Sham potential with controllable error bounds.

  9. Theory of periodically specified problems: Complexity and approximability

    SciTech Connect

    Marathe, M.V.; Hunt, H.B. III; Stearns, R.E.; Rosenkrantz, D.J.

    1997-12-05

    We study the complexity and the efficient approximability of graph and satisfiability problems when specified using various kinds of periodic specifications studied. The general results obtained include the following: (1) We characterize the complexities of several basic generalized CNF satisfiability problems SAT(S) [Sc78], when instances are specified using various kinds of 1- and 2-dimensional periodic specifications. We outline how this characterization can be used to prove a number of new hardness results for the complexity classes DSPACE(n), NSPACE(n), DEXPTIME, NEXPTIME, EXPSPACE etc. These results can be used to prove in a unified way the hardness of a number of combinatorial problems when instances are specified succinctly using various succient specifications considered in the literature. As one corollary, we show that a number of basic NP-hard problems because EXPSPACE-hard when inputs are represented using 1-dimensional infinite periodic wide specifications. This answers a long standing open question posed by Orlin. (2) We outline a simple yet a general technique to devise approximation algorithms with provable worst case performance guarantees for a number of combinatorial problems specified periodically. Our efficient approximation algorithms and schemes are based on extensions of the ideas and represent the first non-trivial characterization of a class of problems having an {epsilon}-approximation (or PTAS) for periodically specified NEXPTIME-hard problems. Two of properties of our results are: (i) For the first time, efficient approximation algorithms and schemes have been developed for natural NEXPTIME-complete problems. (ii) Our results are the first polynomial time approximation algorithms with good performance guarantees for hard problems specified using various kinds of periodic specifications considered in this paper.

  10. Complex linear effective theory and supersymmetry breaking vacua

    NASA Astrophysics Data System (ADS)

    Farakos, Fotis; von Unge, Rikard

    2015-02-01

    We calculate the low-energy effective action of massless and massive complex linear superfields coupled to a massive U(1) vector multiplet. Our calculations include superspace higher-derivative corrections and therefore go beyond previous results. Among the superspace higher derivatives, we find that terms that lead to a deformation of the auxiliary field potential and may break supersymmetry are also generated. We show that the supersymmetry breaking vacua can only be trusted if there exists a hierarchy between the higher-order terms. A renormalization group analysis shows that generically a hierarchy is not generated by the quantum corrections.

  11. Spin propensities of octahedral complexes from density functional theory.

    PubMed

    Mortensen, Sara R; Kepp, Kasper P

    2015-04-30

    The fundamental balance between high- and low-spin states of transition metal systems depends on both the metal ion and the ligands surrounding it, as often visualized by the spectrochemical series. Most density functionals do not reproduce this balance, and real spin state propensities depend on orbital pairing and vibrational entropies absent in the spectrochemical series. Thus, we systematically computed the tendency toward high or low spin of "text-book" octahedral metal complexes versus ligand and metal type, using eight density functionals. Dispersion effects were generally <5 kJ/mol, favoring low-spin states. Zero-point energies favored high-spin states up to 33 kJ/mol for strong ligands, but down to a few kilojoules per mole for weak ligands. Vibrational entropy also favored high-spin states up to 40 kJ/mol, most for strong ligands. Jahn-Teller distortion in Co(II) low-spin states, particularly stable d(6) low-spin states, and entropy corrections were consistent with experiment. Entropy and zero-point energy corrections were markedly lower for Co(II) and Mn(III), viz., the differential ligand field stabilization energy, and can only be ignored for weak ligands. The data enable simple assessment of spin state propensities versus ligand and metal type and reveal, e.g., that CN(-) is consistently weaker than CO for M(II) but stronger than CO for M(III) and SCN(-) and NCS(-) change order in M(II) versus M(III) complexes. Contrary to expectation based on the spectrochemical series, Cl(-) and Br(-) are very close in spin state propensity because the pairing penalty for low spin is smaller in Br(-). Thus, for the M(II) complexes, we find a consensus order of Br(-) ∼ Cl(-) < H2O < SCN(-) < NCS(-) ∼ NH3 < CN(-) < CO, whereas for the M(III) complexes, an approximate order is Br(-) ∼ Cl(-) < H2O ∼ NCS(-) ∼ SCN(-)< NH3 < CO < CN(-). PMID:25856244

  12. Density functional theory studies of oxygen and carbonate binding to a dicopper patellamide complex.

    PubMed

    Latifi, Reza; Bagherzadeh, Mojtaba; Milne, Bruce F; Jaspars, Marcel; de Visser, Sam P

    2008-12-01

    In this work we present results of density functional theory (DFT) calculations on dicopper patellamides and their affinity for molecular oxygen and carbonate. Patellamides are cyclic octapeptides that are produced by a cyanobacterium, and may show promise as therapeutics. Thus, carbonate binding to a dicopper patellamide center gives a stable cyclic octapeptide with a twist of almost 90 degrees . The system exists in close-lying open-shell singlet and triplet spin states with two unpaired electrons in orthogonal sigma* orbitals on each metal center. Subsequently, we replaced carbonate with dioxygen and found a stable Cu2(mu-O)2 diamond shaped patellamide core. In this structure the original dioxygen bond is significantly weakened to essentially a single bond, which should enable the system to transfer these oxygen atoms to substrates. We predicted the IR and Raman spectra of the Cu2(mu-O)2 diamond shaped patellamide structure using density functional theory and found a considerable isotope effect on the O-O stretch vibration for 16O2 versus 18O2 bound structures. Our studies reveal that carbonate forms an extremely stable complex with dicopper patellamide, but that additional molecular oxygen to this system does not give a potential oxidant. Therefore, it is more likely that carbonate prepares the system for dioxygen binding by folding it into the correct configuration followed in the proposed catalytic cycle by a protonation event preceding dioxygen binding to enable the system to reorganize to form a stable Cu2(mu-O)2-patellamide cluster. Alternatively, carbonate may act as an inhibitor that blocks the catalytic activity of the system. It is anticipated that the Cu2(mu-O)2-patellamide structure is a potential active oxidant of the dicopper patellamide complex. PMID:18930320

  13. An Argument for the Use of Chaos Theory To Map the Complexity of Human Communication.

    ERIC Educational Resources Information Center

    Keaten, James A.; And Others

    Noting that the chance to utilize a new paradigm is an opportunity that rarely presents itself, this paper suggests that chaos theory and communication can be combined to help understand human communication. The paper begins by examining the complexity of human communication--that is, the internal and external factors that affect the complexity of…

  14. Complexity Theory: Supporting Curriculum and Pedagogy Developments in Scottish Physical Education

    ERIC Educational Resources Information Center

    Jess, Mike; Atencio, Matthew; Thorburn, Malcolm

    2011-01-01

    This paper describes how complexity theory principles relating to self-emergence and connectivity have been employed to inform our recent developmental work in Scottish physical education. We suggest that these complexity principles have purchase in postmodern times characterised by uncertainty, multiplicity and contradiction. We cite examples…

  15. Anticancer Activity of Metal Complexes: Involvement of Redox Processes

    PubMed Central

    Jungwirth, Ute; Kowol, Christian R.; Keppler, Bernhard K.; Hartinger, Christian G.; Berger, Walter; Heffeter, Petra

    2012-01-01

    Cells require tight regulation of the intracellular redox balance and consequently of reactive oxygen species for proper redox signaling and maintenance of metal (e.g., of iron and copper) homeostasis. In several diseases, including cancer, this balance is disturbed. Therefore, anticancer drugs targeting the redox systems, for example, glutathione and thioredoxin, have entered focus of interest. Anticancer metal complexes (platinum, gold, arsenic, ruthenium, rhodium, copper, vanadium, cobalt, manganese, gadolinium, and molybdenum) have been shown to strongly interact with or even disturb cellular redox homeostasis. In this context, especially the hypothesis of “activation by reduction” as well as the “hard and soft acids and bases” theory with respect to coordination of metal ions to cellular ligands represent important concepts to understand the molecular modes of action of anticancer metal drugs. The aim of this review is to highlight specific interactions of metal-based anticancer drugs with the cellular redox homeostasis and to explain this behavior by considering chemical properties of the respective anticancer metal complexes currently either in (pre)clinical development or in daily clinical routine in oncology. PMID:21275772

  16. Theory of Change: a theory-driven approach to enhance the Medical Research Council's framework for complex interventions

    PubMed Central

    2014-01-01

    Background The Medical Research Councils’ framework for complex interventions has been criticized for not including theory-driven approaches to evaluation. Although the framework does include broad guidance on the use of theory, it contains little practical guidance for implementers and there have been calls to develop a more comprehensive approach. A prospective, theory-driven process of intervention design and evaluation is required to develop complex healthcare interventions which are more likely to be effective, sustainable and scalable. Methods We propose a theory-driven approach to the design and evaluation of complex interventions by adapting and integrating a programmatic design and evaluation tool, Theory of Change (ToC), into the MRC framework for complex interventions. We provide a guide to what ToC is, how to construct one, and how to integrate its use into research projects seeking to design, implement and evaluate complex interventions using the MRC framework. We test this approach by using ToC within two randomized controlled trials and one non-randomized evaluation of complex interventions. Results Our application of ToC in three research projects has shown that ToC can strengthen key stages of the MRC framework. It can aid the development of interventions by providing a framework for enhanced stakeholder engagement and by explicitly designing an intervention that is embedded in the local context. For the feasibility and piloting stage, ToC enables the systematic identification of knowledge gaps to generate research questions that strengthen intervention design. ToC may improve the evaluation of interventions by providing a comprehensive set of indicators to evaluate all stages of the causal pathway through which an intervention achieves impact, combining evaluations of intervention effectiveness with detailed process evaluations into one theoretical framework. Conclusions Incorporating a ToC approach into the MRC framework holds promise for

  17. Making sense in a complex landscape: how the Cynefin Framework from Complex Adaptive Systems Theory can inform health promotion practice.

    PubMed

    Van Beurden, Eric K; Kia, Annie M; Zask, Avigdor; Dietrich, Uta; Rose, Lauren

    2013-03-01

    Health promotion addresses issues from the simple (with well-known cause/effect links) to the highly complex (webs and loops of cause/effect with unpredictable, emergent properties). Yet there is no conceptual framework within its theory base to help identify approaches appropriate to the level of complexity. The default approach favours reductionism--the assumption that reducing a system to its parts will inform whole system behaviour. Such an approach can yield useful knowledge, yet is inadequate where issues have multiple interacting causes, such as social determinants of health. To address complex issues, there is a need for a conceptual framework that helps choose action that is appropriate to context. This paper presents the Cynefin Framework, informed by complexity science--the study of Complex Adaptive Systems (CAS). It introduces key CAS concepts and reviews the emergence and implications of 'complex' approaches within health promotion. It explains the framework and its use with examples from contemporary practice, and sets it within the context of related bodies of health promotion theory. The Cynefin Framework, especially when used as a sense-making tool, can help practitioners understand the complexity of issues, identify appropriate strategies and avoid the pitfalls of applying reductionist approaches to complex situations. The urgency to address critical issues such as climate change and the social determinants of health calls for us to engage with complexity science. The Cynefin Framework helps practitioners make the shift, and enables those already engaged in complex approaches to communicate the value and meaning of their work in a system that privileges reductionist approaches. PMID:22128193

  18. Fuzzy structure theory modeling of sound-insulation layers in complex vibroacoustic uncertain systems: theory and experimental validation.

    PubMed

    Fernandez, Charles; Soize, Christian; Gagliardini, Laurent

    2009-01-01

    The fuzzy structure theory was introduced 20 years ago in order to model the effects of complex subsystems imprecisely known on a master structure. This theory was only aimed at structural dynamics. In this paper, an extension of that theory is proposed in developing an elastoacoustic element useful to model sound-insulation layers for computational vibroacoustics of complex systems. The simplified model constructed enhances computation time and memory allocation because the number of physical and generalized degrees of freedom in the computational vibroacoustic model is not increased. However, these simplifications introduce model uncertainties. In order to take into account these uncertainties, the nonparametric probabilistic approach recently introduced is used. A robust simplified model for sound-insulation layers is then obtained. This model is controlled by a small number of physical and dispersion parameters. First, the extension of the fuzzy structure theory to elastoacoustic element is presented. Second, the computational vibroacoustic model including such an elastoacoustic element to model sound-insulation layer is given. Then, a design methodology to identify the model parameters with experiments is proposed and is experimentally validated. Finally, the theory is applied to an uncertain vibroacoustic system. PMID:19173401

  19. An anti-attack model based on complex network theory in P2P networks

    NASA Astrophysics Data System (ADS)

    Peng, Hao; Lu, Songnian; Zhao, Dandan; Zhang, Aixin; Li, Jianhua

    2012-04-01

    Complex network theory is a useful way to study many real systems. In this paper, an anti-attack model based on complex network theory is introduced. The mechanism of this model is based on a dynamic compensation process and a reverse percolation process in P2P networks. The main purpose of the paper is: (i) a dynamic compensation process can turn an attacked P2P network into a power-law (PL) network with exponential cutoff; (ii) a local healing process can restore the maximum degree of peers in an attacked P2P network to a normal level; (iii) a restoring process based on reverse percolation theory connects the fragmentary peers of an attacked P2P network together into a giant connected component. In this way, the model based on complex network theory can be effectively utilized for anti-attack and protection purposes in P2P networks.

  20. Theory for the Emergence of Modularity in Complex Systems

    NASA Astrophysics Data System (ADS)

    Deem, Michael; Park, Jeong-Man

    2013-03-01

    Biological systems are modular, and this modularity evolves over time and in different environments. A number of observations have been made of increased modularity in biological systems under increased environmental pressure. We here develop a theory for the dynamics of modularity in these systems. We find a principle of least action for the evolved modularity at long times. In addition, we find a fluctuation dissipation relation for the rate of change of modularity at short times. We discuss a number of biological and social systems that can be understood with this framework. The modularity of the protein-protein interaction network increases when yeast are exposed to heat shock, and the modularity of the protein-protein networks in both yeast and E. coli appears to have increased over evolutionary time. Food webs in low-energy, stressful environments are more modular than those in plentiful environments, arid ecologies are more modular during droughts, and foraging of sea otters is more modular when food is limiting. The modularity of social networks changes over time: stock brokers instant messaging networks are more modular under stressful market conditions, criminal networks are more modular under increased police pressure, and world trade network modularity has decreased

  1. How Does an Activity Theory Model Help to Know Better about Teaching with Electronic-Exercise-Bases?

    ERIC Educational Resources Information Center

    Abboud-Blanchard, Maha; Cazes, Claire

    2012-01-01

    The research presented in this paper relies on Activity Theory and particularly on Engestrom's model, to better understand the use of Electronic-Exercise-Bases (EEB) by mathematics teachers. This theory provides a holistic approach to illustrate the complexity of the EEB integration. The results highlight reasons and ways of using EEB and show…

  2. Universal properties of type IIB and F-theory flux compactifications at large complex structure

    NASA Astrophysics Data System (ADS)

    Marsh, M. C. David; Sousa, Kepa

    2016-03-01

    We consider flux compactifications of type IIB string theory and F-theory in which the respective superpotentials at large complex structure are dominated by cubic or quartic terms in the complex structure moduli. In this limit, the low-energy effective theory exhibits universal properties that are insensitive to the details of the compactification manifold or the flux configuration. Focussing on the complex structure and axio-dilaton sector, we show that there are no vacua in this region and the spectrum of the Hessian matrix is highly peaked and consists only of three distinct eigenvalues (0, 2 m 3/2 2 and 8 m 3/2 2 ), independently of the number of moduli. We briefly comment on how the inclusion of Kähler moduli affect these findings. Our results generalise those of Brodie & Marsh [1], in which these universal properties were found in a subspace of the large complex structure limit of type IIB compactifications.

  3. [Behavioral Activation for Depression: Theory and Practice].

    PubMed

    Nakao, Tomohiro

    2015-01-01

    Behavioral activation (BA) has recently attracted marked attention. While cognitive therapy focuses on the cognitive distortion of patients with depression and asks them to change their behaviors as the process of altering the cognitive distortion, BA pays attention to behavior to avoid an unpleasant situation or social situation as a key symptom that leads to persistence of the depression. Avoidance behaviors are often seen during every process of depression, from onset to recurrence. Avoidance behaviors, a decrease in pleasant phenomena, or increase in unpleasant phenomena, result in reinforcing a depressive mood. If patients can set appropriate behavioral targets and achieve them, the beneficial behaviors will be further promoted with positive feed-back. The behavioral change, as-a consequence, will result in improvement of the mood, cognition, and depression itself. In this manuscript, the author presents two clinical cases, in which BA assisted the patients in recovering from their depression. The first case was a male in his thirties who repeatedly took sick leave from his work because of maladjustment, which resulted in persistent depression. The second case was a female in her thirties who suffered from OCD and then became maladjusted to her place of work, depressive, and emotionally unstable. In both cases, avoidant behaviors caused their conditions to persist. Appropriate activities formed by BA improved their moods, and their self-efficacies were gradually regained. It was suggested that BA is markedly effective, especially in patients whose avoidant behaviors mainly cause the persistence of their depressive symptoms. PMID:26514042

  4. Recent Progress in Some Active Topics on Complex Networks

    NASA Astrophysics Data System (ADS)

    Gu, J.; Zhu, Y.; Guo, L.; Jiang, J.; Chi, L.; Li, W.; Wang, Q. A.; Cai, X.

    2015-04-01

    Complex networks have been extensively studied across many fields, especially in interdisciplinary areas. It has since long been recognized that topological structures and dynamics are important aspects for capturing the essence of complex networks. The recent years have also witnessed the emergence of several new elements which play important roles in network study. By combining the results of different research orientations in our group, we provide here a review of the recent advances in regards to spectral graph theory, opinion dynamics, interdependent networks, graph energy theory and temporal networks. We hope this will be helpful for the newcomers of those fields to discover new intriguing topics.

  5. Self-Efficacy Theory and the Theory of Planned Behavior: Teaching Physically Active Physical Education Classes

    ERIC Educational Resources Information Center

    Martin, Jeffrey J.; Kulinna, Pamela Hodges

    2004-01-01

    The purpose of this investigation was to examine determinants of teachers' intentions to teach physically active physical education classes (i.e., spend at least 50% of class time with the students engaged in moderate to vigorous physical activity). Based on the theory of planned behavior, a model was examined hypothesizing that teachers'…

  6. Theory of rumour spreading in complex social networks

    NASA Astrophysics Data System (ADS)

    Nekovee, M.; Moreno, Y.; Bianconi, G.; Marsili, M.

    2007-01-01

    We introduce a general stochastic model for the spread of rumours, and derive mean-field equations that describe the dynamics of the model on complex social networks (in particular, those mediated by the Internet). We use analytical and numerical solutions of these equations to examine the threshold behaviour and dynamics of the model on several models of such networks: random graphs, uncorrelated scale-free networks and scale-free networks with assortative degree correlations. We show that in both homogeneous networks and random graphs the model exhibits a critical threshold in the rumour spreading rate below which a rumour cannot propagate in the system. In the case of scale-free networks, on the other hand, this threshold becomes vanishingly small in the limit of infinite system size. We find that the initial rate at which a rumour spreads is much higher in scale-free networks than in random graphs, and that the rate at which the spreading proceeds on scale-free networks is further increased when assortative degree correlations are introduced. The impact of degree correlations on the final fraction of nodes that ever hears a rumour, however, depends on the interplay between network topology and the rumour spreading rate. Our results show that scale-free social networks are prone to the spreading of rumours, just as they are to the spreading of infections. They are relevant to the spreading dynamics of chain emails, viral advertising and large-scale information dissemination algorithms on the Internet.

  7. In search of a unifying theory of complex brain evolution.

    PubMed

    Krubitzer, Leah

    2009-03-01

    The neocortex is the part of the brain that is involved in perception, cognition, and volitional motor control. In mammals it is a highly dynamic structure that has been dramatically altered in different lineages, and these alterations account for the remarkable variations in behavior that species exhibit. When we consider how this structure changes and becomes more complex in some mammals such as humans, we must also consider how the alterations that occur at macro levels of organization, such as the level of the individual and social system, as well as micro levels of organization, such as the level of neurons, synapses and molecules, impact the neocortex. It is also important to consider the constraints imposed on the evolution of the neocortex. Observations of highly conserved features of cortical organization that all mammals share, as well as the convergent evolution of similar features of organization, indicate that the constraints imposed on the neocortex are pervasive and restrict the avenues along which evolution can proceed. Although both genes and the laws of physics place formidable constraints on the evolution of all animals, humans have evolved a number of mechanisms that allow them to loosen these constraints and often alter the course of their own evolution. While this cortical plasticity is a defining feature of mammalian neocortex, it appears to be exaggerated in humans and could be considered a unique derivation of our species. PMID:19338502

  8. Studying Doctoral Education: Using Activity Theory to Shape Methodological Tools

    ERIC Educational Resources Information Center

    Beauchamp, Catherine; Jazvac-Martek, Marian; McAlpine, Lynn

    2009-01-01

    The study reported here, one part of a larger study on doctoral education, describes a pilot study that used Activity Theory to shape a methodological tool for better understanding the tensions inherent in the doctoral experience. As doctoral students may function within a range of activity systems, we designed data collection protocols based on…

  9. Narratives and Activity Theory as Reflective Tools in Action Research

    ERIC Educational Resources Information Center

    Stuart, Kaz

    2012-01-01

    Narratives and activity theory are useful as socially constructed data collection tools that allow a researcher access to the social, cultural and historical meanings that research participants place on events in their lives. This case study shows how these tools were used to promote reflection within a cultural-historical activity theoretically…

  10. Transformation or Transformism: Engestrom's Version of Activity Theory?

    ERIC Educational Resources Information Center

    Avis, James

    2009-01-01

    The paper examines Engestrom's version of activity theory. It seeks to locate this within the socio-economic and theoretical context in which notions of co-configuration and knotworking are set. Although this theoretical approach offers radical possibilities it is limited by its neglect of the wider social context in which activity systems are…

  11. PDAs as Lifelong Learning Tools: An Activity Theory Based Analysis

    ERIC Educational Resources Information Center

    Waycott, Jenny; Jones, Ann; Scanlon, Eileen

    2005-01-01

    This paper describes the use of an activity theory (AT) framework to analyze the ways that distance part time learners and mobile workers adapted and appropriated mobile devices for their activities and in turn how their use of these new tools changed the ways that they carried out their learning or their work. It is argued that there are two key…

  12. Project-Based Language Learning: An Activity Theory Analysis

    ERIC Educational Resources Information Center

    Gibbes, Marina; Carson, Lorna

    2014-01-01

    This paper reports on an investigation of project-based language learning (PBLL) in a university language programme. Learner reflections of project work were analysed through Activity Theory, where tool-mediated activity is understood as the central unit of analysis for human interaction. Data were categorised according to the components of human…

  13. The Theory and Practice of Active Aging

    PubMed Central

    Fries, James F.

    2012-01-01

    Active aging” connotes a radically nontraditional paradigm of aging which posits possible improvement in health despite increasing longevity. The new paradigm is based upon postponing functional declines more than mortality declines and compressing morbidity into a shorter period later in life. This paradigm (Compression of Morbidity) contrasts with the old, where increasing longevity inevitably leads to increasing morbidity. We have focused our research on controlled longitudinal studies of aging. The Runners and Community Controls study began at age 58 in 1984 and the Health Risk Cohorts study at age 70 in 1986. We noted that disability was postponed by 14 to 16 years in vigorous exercisers compared with controls and postponed by 10 years in low-risk cohorts compared with higher risk. Mortality was also postponed, but too few persons had died for valid comparison of mortality and morbidity. With the new data presented here, age at death at 30% mortality is postponed by 7 years in Runners and age at death at 50% (median) mortality by 3.3 years compared to controls. Postponement of disability is more than double that of mortality in both studies. These differences increase over time, occur in all subgroups, and persist after statistical adjustment. PMID:23118746

  14. Changes in complex spike activity during classical conditioning.

    PubMed

    Rasmussen, Anders; Jirenhed, Dan-Anders; Wetmore, Daniel Z; Hesslow, Germund

    2014-01-01

    The cerebellar cortex is necessary for adaptively timed conditioned responses (CRs) in eyeblink conditioning. During conditioning, Purkinje cells acquire pause responses or "Purkinje cell CRs" to the conditioned stimuli (CS), resulting in disinhibition of the cerebellar nuclei (CN), allowing them to activate motor nuclei that control eyeblinks. This disinhibition also causes inhibition of the inferior olive (IO), via the nucleo-olivary pathway (N-O). Activation of the IO, which relays the unconditional stimulus (US) to the cortex, elicits characteristic complex spikes in Purkinje cells. Although Purkinje cell activity, as well as stimulation of the CN, is known to influence IO activity, much remains to be learned about the way that learned changes in simple spike firing affects the IO. In the present study, we analyzed changes in simple and complex spike firing, in extracellular Purkinje cell records, from the C3 zone, in decerebrate ferrets undergoing training in a conditioning paradigm. In agreement with the N-O feedback hypothesis, acquisition resulted in a gradual decrease in complex spike activity during the conditioned stimulus, with a delay that is consistent with the long N-O latency. Also supporting the feedback hypothesis, training with a short interstimulus interval (ISI), which does not lead to acquisition of a Purkinje cell CR, did not cause a suppression of complex spike activity. In contrast, observations that extinction did not lead to a recovery in complex spike activity and the irregular patterns of simple and complex spike activity after the conditioned stimulus are less conclusive. PMID:25140129

  15. A Theory Bite on Learning through Mathematical Activity

    ERIC Educational Resources Information Center

    Steffe, Leslie P.

    2011-01-01

    In this article, the author wishes to emphasize two fundamental points related to theory that were significantly underplayed in Simon et al.'s "A Developing Approach to Studying Students' Learning through Their Mathematical Activity" (2010). The author believes these points are central to any study of children's mathematical learning. The first…

  16. Instructional Transaction Theory: Knowledge Relationships among Processes, Entities, and Activities.

    ERIC Educational Resources Information Center

    Merrill, M. David; And Others

    1993-01-01

    Discussion of instructional transaction theory focuses on knowledge representation in an automated instructional design expert system. A knowledge structure called PEA-Net (processes, entities, and activities) is explained; the refrigeration process is used as an example; text resources and graphic resources are described; and simulations are…

  17. Videogames, Tools for Change: A Study Based on Activity Theory

    ERIC Educational Resources Information Center

    Méndez, Laura; Lacasa, Pilar

    2015-01-01

    Introduction: The purpose of this study is to provide a framework for analysis from which to interpret the transformations that take place, as perceived by the participants, when commercial video games are used in the classroom. We will show how Activity Theory (AT) is able to explain and interpret these changes. Method: Case studies are…

  18. Engestrom's Version of Activity Theory: A Conservative Praxis?

    ERIC Educational Resources Information Center

    Avis, James

    2007-01-01

    This article examines Engestrom's version of activity theory, one rooted in Marxism. It is argued that whilst this approach holds progressive possibilities, its radicalism is undermined by a restricted conceptualisation of transformation and the marginalisation of a politicised notion of social antagonism. As a consequence, this approach to…

  19. "Vygotsky's Neglected Legacy": Cultural-Historical Activity Theory

    ERIC Educational Resources Information Center

    Roth, Wolff-Michael; Lee, Yew-Jin

    2007-01-01

    The authors describe an evolving theoretical framework that has been called one of the best kept secrets of academia: cultural-historical activity theory, the result of proposals Lev Vygotsky first articulated but that his students and followers substantially developed to constitute much expanded forms in its second and third generations. Besides…

  20. Anthropological Approach and Activity Theory: Culture, Communities and Institutions

    ERIC Educational Resources Information Center

    Lagrange, Jean-Baptiste

    2013-01-01

    The goal of this paper is to evaluate the contribution of the anthropological approach (AA) concurrently to Activity Theory (AT) in view of overarching questions about classroom use of technology for teaching and learning mathematics. I will do it first from a philosophical point of view, presenting the main notions of AA that have been used to…

  1. Some elements of a theory of multidimensional complex variables. I - General theory. II - Expansions of analytic functions and application to fluid flows

    NASA Technical Reports Server (NTRS)

    Martin, E. Dale

    1989-01-01

    The paper introduces a new theory of N-dimensional complex variables and analytic functions which, for N greater than 2, is both a direct generalization and a close analog of the theory of ordinary complex variables. The algebra in the present theory is a commutative ring, not a field. Functions of a three-dimensional variable were defined and the definition of the derivative then led to analytic functions.

  2. Order, chaos and complexity in landscape evolution: insights from systems theory and social network theory

    NASA Astrophysics Data System (ADS)

    van de Wiel, Marco

    2010-05-01

    Any physical system can exist in one of three possible states: ordered, chaotic or complex. A recently developed hypothesis relates the occurrence of these states to 1) the variability of the external conditions to which the system is subjected; and 2) the internal differentiation within the system to accommodate variations in the external conditions. This paper attempts to apply these concepts to landscapes as geomorphic systems, responding to external forces such as climate change. State variations in a geomorphic system can be observed from spatio-temporal variations in topography and morphology of a landscape, or can be inferred from temporal variations in major geomorphic metrics, such as average erosion rate or total sediment yield. Here, a numeric landscape evolution model is used to explore state variations of an idealized catchment in the context of the variability of an external signal (i.e. climate) and the internal differentiation of the catchment's geomorphic characteristics (i.e. elevation and sediment distribution).

  3. Anticancer activity assessment of two novel binuclear platinum (II) complexes.

    PubMed

    Shahsavani, Mohammad Bagher; Ahmadi, Shamseddin; Aseman, Marzieh Dadkhah; Nabavizadeh, S Masoud; Rashidi, Mehdi; Asadi, Zahra; Erfani, Nasrollah; Ghasemi, Atiyeh; Saboury, Ali Akbar; Niazi, Ali; Bahaoddini, Aminollah; Yousefi, Reza

    2016-08-01

    In the current study, two binuclear Pt (II) complexes, containing cis, cis-[Me2Pt (μ-NN) (μ-dppm) PtMe2] (1), and cis,cis-[Me2Pt(μ-NN)(μ dppm) Pt((CH2)4)] (2) in which NN=phthalazine and dppm=bis (diphenylphosphino) methane were evaluated for their anticancer activities and DNA/purine nucleotide binding properties. These Pt (II) complexes, with the non-classical structures, demonstrated a significant anticancer activity against Jurkat and MCF-7 cancer cell lines. The results of ethidium bromide/acridine orange staining and Caspase-III activity suggest that these complexes were capable to stimulate an apoptotic mechanism of cell death in the cancer cells. Using different biophysical techniques and docking simulation analysis, we indicated that these complexes were also capable to interact efficiently with DNA via a non-intercalative mechanism. According to our results, substitution of cyclopentane (in complex 2) with two methyl groups (in complex 1) results in significant improvement of the complex ability to interact with DNA and subsequently to induce the anticancer activity. Overall, these binuclear Pt (II) complexes are promising group of the non-classical potential anticancer agents which can be considered as molecular templates in designing of highly efficient platinum anticancer drugs. PMID:27289447

  4. Organizational Change at the Edge of Chaos: A Complexity Theory Perspective of Autopoietic Systems

    ERIC Educational Resources Information Center

    Susini, Domenico, III.

    2010-01-01

    This qualitative phenomenological study includes explorations of organizational change phenomena from the vantage point of complexity theory as experienced through the lived experiences of eight senior level managers and executives based in Northern N.J. who have experienced crisis situations in their organizations. Concepts from the natural…

  5. Classification Consistency and Accuracy for Complex Assessments Using Item Response Theory

    ERIC Educational Resources Information Center

    Lee, Won-Chan

    2010-01-01

    In this article, procedures are described for estimating single-administration classification consistency and accuracy indices for complex assessments using item response theory (IRT). This IRT approach was applied to real test data comprising dichotomous and polytomous items. Several different IRT model combinations were considered. Comparisons…

  6. A Complexity Theory Approach to Sustainability: A Longitudinal Study in Two London NHS Hospitals

    ERIC Educational Resources Information Center

    Mitleton-Kelly, Eve

    2011-01-01

    Purpose: The purpose of this paper is to demonstrate that organisational sustainability is not a continuation of the status quo but, seen from a complexity theory perspective, is a continuous dynamic process of co-evolution with a changing environment. It is underpinned by learning, and it creates new structures and ways of working to adjust and…

  7. Semiclassical complex angular momentum theory and Pade reconstruction for resonances, rainbows, and reaction thresholds

    SciTech Connect

    Sokolovski, D.; Msezane, A.Z.

    2004-09-01

    A semiclassical complex angular momentum theory, used to analyze atom-diatom reactive angular distributions, is applied to several well-known potential (one-particle) problems. Examples include resonance scattering, rainbow scattering, and the Eckart threshold model. Pade reconstruction of the corresponding matrix elements from the values at physical (integral) angular momenta and properties of the Pade approximants are discussed in detail.

  8. Towards a quantitative kinetic theory of polar active matter

    NASA Astrophysics Data System (ADS)

    Ihle, T.

    2014-06-01

    A recent kinetic approach for Vicsek-like models of active particles is reviewed. The theory is based on an exact Chapman- Kolmogorov equation in phase space. It can handle discrete time dynamics and "exotic" multi-particle interactions. A nonlocal mean-field theory for the one-particle distribution function is obtained by assuming molecular chaos. The Boltzmann approach of Bertin, et al., Phys. Rev. E 74, 022101 (2006) and J. Phys. A 42, 445001 (2009), is critically assessed and compared to the current approach. In Boltzmann theory, a collision starts when two particles enter each others action spheres and is finished when their distance exceeds the interaction radius. The average duration of such a collision, τ0, is measured for the Vicsek model with continuous time-evolution. If the noise is chosen to be close to the flocking threshold, the average time between collisions is found to be roughly equal to τ0 at low densities. Thus, the continuous-time Vicsek-model near the flocking threshold cannot be accurately described by a Boltzmann equation, even at very small density because collisions take so long that typically other particles join in, rendering Boltzmann's binary collision assumption invalid. Hydrodynamic equations for the phase space approach are derived by means of a Chapman-Enskog expansion. The equations are compared to the Toner-Tu theory of polar active matter. New terms, absent in the Toner-Tu theory, are highlighted. Convergence problems of Chapman-Enskog and similar gradient expansions are discussed.

  9. Entropy measures for networks: toward an information theory of complex topologies.

    PubMed

    Anand, Kartik; Bianconi, Ginestra

    2009-10-01

    The quantification of the complexity of networks is, today, a fundamental problem in the physics of complex systems. A possible roadmap to solve the problem is via extending key concepts of information theory to networks. In this Rapid Communication we propose how to define the Shannon entropy of a network ensemble and how it relates to the Gibbs and von Neumann entropies of network ensembles. The quantities we introduce here will play a crucial role for the formulation of null models of networks through maximum-entropy arguments and will contribute to inference problems emerging in the field of complex networks. PMID:19905379

  10. Integrating Social Activity Theory and Critical Discourse Analysis: A Multilayered Methodological Model for Examining Knowledge Mediation in Mentoring

    ERIC Educational Resources Information Center

    Becher, Ayelet; Orland-Barak, Lily

    2016-01-01

    This study suggests an integrative qualitative methodological framework for capturing complexity in mentoring activity. Specifically, the model examines how historical developments of a discipline direct mentors' mediation of professional knowledge through the language that they use. The model integrates social activity theory and a framework of…

  11. Modeling of Active Transmembrane Transport in a Mixture Theory Framework

    PubMed Central

    Ateshian, Gerard A.; Morrison, Barclay; Hung, Clark T.

    2010-01-01

    This study formulates governing equations for active transport across semi-permeable membranes within the framework of the theory of mixtures. In mixture theory, which models the interactions of any number of fluid and solid constituents, a supply term appears in the conservation of linear momentum to describe momentum exchanges among the constituents. In past applications, this momentum supply was used to model frictional interactions only, thereby describing passive transport processes. In this study, it is shown that active transport processes, which impart momentum to solutes or solvent, may also be incorporated in this term. By projecting the equation of conservation of linear momentum along the normal to the membrane, a jump condition is formulated for the mechano-electrochemical potential of fluid constituents which is generally applicable to nonequilibrium processes involving active transport. The resulting relations are simple and easy to use, and address an important need in the membrane transport literature. PMID:20213212

  12. Complexity theory of neural networks. Final technical report, 15 Sep-14 Apr 91

    SciTech Connect

    Berman, P.; Schnitger, G.; Parberry, I.

    1991-08-09

    Significant progress has been made in laying the foundations of a complexity theory of neural networks. The fundamental complexity classes have been identified and studied. The class of problems solvable by small, shallow neural networks has been found to be the same class even if (1) probabilistic behaviour (2)Multi-valued logic, and (3)analog behaviour, are allowed (subject to certain resonable technical assumptions). Neural networks can be made provably fault-tolerant by physically separating the summation units from the thresholding units. New results have also been obtained on the complexity of approximation, communication complexity, the complexity of learning from examples and counterexamples, learning with multi-valued neurons, exponential lower bounds for restricted neural networks, and fault tolerance in distributed computation.

  13. Loss of 'complexity' and aging. Potential applications of fractals and chaos theory to senescence

    NASA Technical Reports Server (NTRS)

    Lipsitz, L. A.; Goldberger, A. L.

    1992-01-01

    The concept of "complexity," derived from the field of nonlinear dynamics, can be adapted to measure the output of physiologic processes that generate highly variable fluctuations resembling "chaos." We review data suggesting that physiologic aging is associated with a generalized loss of such complexity in the dynamics of healthy organ system function and hypothesize that such loss of complexity leads to an impaired ability to adapt to physiologic stress. This hypothesis is supported by observations showing an age-related loss of complex variability in multiple physiologic processes including cardiovascular control, pulsatile hormone release, and electroencephalographic potentials. If further research supports this hypothesis, measures of complexity based on chaos theory and the related geometric concept of fractals may provide new ways to monitor senescence and test the efficacy of specific interventions to modify the age-related decline in adaptive capacity.

  14. Three-Dimensional Topological Field Theory Induced from Generalized Complex Structure

    NASA Astrophysics Data System (ADS)

    Ikeda, Noriaki

    We construct a three-dimensional topological sigma model which is induced from a generalized complex structure on a target generalized complex manifold. This model is constructed from maps from a three-dimensional manifold X to an arbitrary generalized complex manifold M. The theory is invariant under the diffeomorphism on the worldvolume and the b-transformation on the generalized complex structure. Moreover the model is manifestly invariant under the mirror symmetry. We derive from this model the Zucchini's two-dimensional topological sigma model with a generalized complex structure as a boundary action on ∂X. As a special case, we obtain three-dimensional realization of a WZ-Poisson manifold.

  15. Characterization and biological activities of two copper(II) complexes with dipropylenetriamine and diamine as ligands

    NASA Astrophysics Data System (ADS)

    AL-Noaimi, Mousa; Choudhary, Mohammad I.; Awwadi, Firas F.; Talib, Wamidh H.; Hadda, Taibi Ben; Yousuf, Sammer; Sawafta, Ashraf; Warad, Ismail

    2014-06-01

    Two new mixed-ligand copper(II) complexes, [Cu(dipn)(Nsbnd N)]Br2(1-2) [dipn = dipropylenetriamine, Nsbnd N = ethylenediamine (en) (1) and propylenediamine (pn) (2)], have been synthesized. These complexes were characterized by spectroscopic and thermal techniques. Crystal structure for 2 shows a distorted trigonal-bipyramidal geometry around Cu(II) ion with one solvate water molecule. Antimicrobial and antiproliferative assays were conducted to evaluate the biological activities of these complexes. The complexes exhibit a promising antimicrobial effect against an array of microbes at 200 μg/mL concentration. The antiproliferative assay shows a high potential of these complexes to target Human keratinocyte cell line with IC50 values of 155 and 152 μM. The absorption spectrum of 2 in water was modeled by time-dependent density functional theory (TD-DFT).

  16. Antifungal and Antioxidant Activities of Pyrrolidone Thiosemicarbazone Complexes

    PubMed Central

    Al-Amiery, Ahmed A.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar

    2012-01-01

    Metal complexes of (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide (L) with Cu(II), Co(II), and Ni(II) chlorides were tested against selected types of fungi and were found to have significant antifungal activities. The free-radical-scavenging ability of the metal complexes was determined by their interaction with the stable free radical 2,2′′-diphenyl-1-picrylhydrazyl, and all the compounds showed encouraging antioxidant activities. DFT calculations of the Cu complex were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms. PMID:22400016

  17. Psychosocial Factors and Theory in Physical Activity Studies in Minorities

    PubMed Central

    Mama, Scherezade K.; McNeill, Lorna H.; McCurdy, Sheryl A.; Evans, Alexandra E.; Diamond, Pamela M.; Adamus-Leach, Heather J.; Lee, Rebecca E.

    2015-01-01

    Objectives To summarize the effectiveness of interventions targeting psychosocial factors to increase physical activity (PA) among ethnic minority adults and explore theory use in PA interventions. Methods Studies (N = 11) were identified through a systematic review and targeted African American/Hispanic adults, specific psychosocial factors, and PA. Data were extracted using a standard code sheet and the Theory Coding Scheme. Results Social support was the most common psychosocial factor reported, followed by motivational readiness, and self-efficacy, as being associated with increased PA. Only 7 studies explicitly reported using a theoretical framework. Conclusions Future efforts should explore theory use in PA interventions and how integration of theoretical constructs, including psychosocial factors, increases PA. PMID:25290599

  18. Free Energy and Virtual Reality in Neuroscience and Psychoanalysis: A Complexity Theory of Dreaming and Mental Disorder.

    PubMed

    Hopkins, Jim

    2016-01-01

    The main concepts of the free energy (FE) neuroscience developed by Karl Friston and colleagues parallel those of Freud's Project for a Scientific Psychology. In Hobson et al. (2014) these include an innate virtual reality generator that produces the fictive prior beliefs that Freud described as the primary process. This enables Friston's account to encompass a unified treatment-a complexity theory-of the role of virtual reality in both dreaming and mental disorder. In both accounts the brain operates to minimize FE aroused by sensory impingements-including interoceptive impingements that report compliance with biological imperatives-and constructs a representation/model of the causes of impingement that enables this minimization. In Friston's account (variational) FE equals complexity minus accuracy, and is minimized by increasing accuracy and decreasing complexity. Roughly the brain (or model) increases accuracy together with complexity in waking. This is mediated by consciousness-creating active inference-by which it explains sensory impingements in terms of perceptual experiences of their causes. In sleep it reduces complexity by processes that include both synaptic pruning and consciousness/virtual reality/dreaming in REM. The consciousness-creating active inference that effects complexity-reduction in REM dreaming must operate on FE-arousing data distinct from sensory impingement. The most relevant source is remembered arousals of emotion, both recent and remote, as processed in SWS and REM on "active systems" accounts of memory consolidation/reconsolidation. Freud describes these remembered arousals as condensed in the dreamwork for use in the conscious contents of dreams, and similar condensation can be seen in symptoms. Complexity partly reflects emotional conflict and trauma. This indicates that dreams and symptoms are both produced to reduce complexity in the form of potentially adverse (traumatic or conflicting) arousals of amygdala-related emotions

  19. Using Activity Theory to Model the Taiwan Atayal Students' Classroom Mathematical Activity

    ERIC Educational Resources Information Center

    Huang, Chih-Hsien; Lin, Fou-Lai

    2013-01-01

    From the sociocultural perspective, this research utilized activity theory as the theoretical framework to analyze the influences of cultural factors for Taiwanese Atayal junior high school students' study in mathematics. The research methodology adopted grounded theory, theoretical and methodological approaches which are illustrated through…

  20. New dirhodium complex with activity towards colorectal cancer.

    PubMed

    Frade, Raquel F M; Candeias, Nuno R; Duarte, Catarina M M; André, Vânia; Duarte, M Teresa; Gois, Pedro M P; Afonso, Carlos A M

    2010-06-01

    A novel dirhodium complex (Rh(2)(L-PheAla)(2)(OAc)(2) is reported with strong activity towards human colon adenocarcinoma cells. Its effect was not accompanied by generation of reactive oxygen species (ROS) neither by activation of caspase-3. PMID:20434912

  1. Antiparasitic activities of novel ruthenium/lapachol complexes.

    PubMed

    Barbosa, Marília I F; Corrêa, Rodrigo S; de Oliveira, Katia Mara; Rodrigues, Claudia; Ellena, Javier; Nascimento, Otaciro R; Rocha, Vinícius P C; Nonato, Fabiana R; Macedo, Taís S; Barbosa-Filho, José Maria; Soares, Milena B P; Batista, Alzir A

    2014-07-01

    The present study describes the synthesis, characterization, antileishmanial and antiplasmodial activities of novel diimine/(2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), 4,4'-methylbipyridine (Me-bipy) and 4,4'-methoxybipyridine (MeO-bipy)/phosphine/ruthenium(II) complexes containing lapachol (Lap, 2-hydroxy-3-(3-33 methyl-2-buthenyl)-1,4-naphthoquinone) as bidentate ligand. The [Ru(Lap)(PPh3)2(bipy)]PF6 (1), [Ru(Lap)(PPh3)2(Me-bipy)]PF6 (2), [Ru(Lap)(PPh3)2(MeO-bipy)]PF6(3) and[Ru(Lap)(PPh3)2(phen)]PF6 (4) complexes, PPh3=triphenylphospine, were synthesized from the reactions of cis-[RuCl2(PPh3)2(X-bipy)] or cis-[RuCl2(PPh3)2(phen)], with lapachol. The [RuCl2(Lap)(dppb)] (5) [dppb=1,4-bis(diphenylphosphine)butane] was synthesized from the mer-[RuCl3(dppb)(H2O)] complex. The complexes were characterized by elemental analysis, molar conductivity, infrared and UV-vis spectroscopy, (31)P{(1)H} and (1)H NMR, and cyclic voltammetry. The Ru(III) complex, [RuCl2(Lap)(dppb)], was also characterized by the EPR technique. The structure of the complexes [Ru(Lap)(PPh3)2(bipy)]PF6 and [RuCl2(Lap)(dppb)] was elucidated by X-ray diffraction. The evaluation of the antiparasitic activities of the complexes against Leishmania amazonensis and Plasmodium falciparum demonstrated that lapachol-ruthenium complexes are more potent than the free lapachol. The [RuCl2(Lap)(dppb)] complex is the most potent and selective antiparasitic compound among the five new ruthenium complexes studied in this work, exhibiting an activity comparable to the reference drugs. PMID:24727183

  2. Mathematic Modeling of Complex Hydraulic Machinery Systems When Evaluating Reliability Using Graph Theory

    NASA Astrophysics Data System (ADS)

    Zemenkova, M. Yu; Shipovalov, A. N.; Zemenkov, Yu D.

    2016-04-01

    The main technological equipment of pipeline transport of hydrocarbons are hydraulic machines. During transportation of oil mainly used of centrifugal pumps, designed to work in the “pumping station-pipeline” system. Composition of a standard pumping station consists of several pumps, complex hydraulic piping. The authors have developed a set of models and algorithms for calculating system reliability of pumps. It is based on the theory of reliability. As an example, considered one of the estimation methods with the application of graph theory.

  3. Comparing Educational Tools Using Activity Theory: Clickers and Flashcards

    NASA Astrophysics Data System (ADS)

    Price, Edward; De Leone, Charles; Lasry, Nathaniel

    2010-10-01

    Physics educators and researchers have recently begun to distinguish between pedagogical approaches and the educational technologies that are used to implement them. For instance, peer instruction has been shown to be equally effective, in terms of student learning outcomes, when implemented with clickers or flashcards. Therefore, technological tools (clickers and flashcards) can be viewed as means to mediate pedagogical techniques (peer instruction or traditional instruction). In this paper, we use activity theory to examine peer instruction, with particular attention to the role of tools. This perspective helps clarify clickers' and flashcards' differences, similarities, impacts in the classroom, and utility to education researchers. Our analysis can suggest improvements and new uses. Finally, we propose activity theory as a useful approach in understanding and improving the use of technology in the physics classroom.

  4. Exploring Formative Assessment Using Cultural Historical Activity Theory

    ERIC Educational Resources Information Center

    Asghar, Mandy

    2013-01-01

    Formative assessment is a pedagogic practice that has been the subject of much research and debate, as to how it can be used most effectively to deliver enhanced student learning in the higher education setting. Often described as a complex concept it embraces activities that range from facilitating students understanding of assessment standards,…

  5. Pedagogical Distance: Explaining Misalignment in Student-Driven Online Learning Activities Using Activity Theory

    ERIC Educational Resources Information Center

    Westberry, Nicola; Franken, Margaret

    2015-01-01

    This paper provides an Activity Theory analysis of two online student-driven interactive learning activities to interrogate assumptions that such groups can effectively learn in the absence of the teacher. Such an analysis conceptualises learning tasks as constructed objects that drive pedagogical activity. The analysis shows a disconnect between…

  6. Complex leadership competency in health care: towards framing a theory of practice.

    PubMed

    Ford, Randal

    2009-08-01

    Many analysts characterize the health-care industry and health-care systems as complex adaptive organizations. New hybrid organizational forms are emerging that exhibit diverse relational-structural alliances between physicians, hospitals and/or insurers, over which administrators have limited control and restricted ability to predict or direct. Meeting the challenges in leading and managing health-care systems as complex adaptive organizations calls for additional competency in what theorists determine as 'complex leadership'. This research study presents findings on complex leadership principles that augment those competencies that health-care administration education scholars recognize and recommend as necessary for future leaders in health care to master. The findings from this study make two contributions: first, they ground complex leader theory, derived from complexity science, in empirical data; and second, the findings add to a growing body of literature investigating the underlying logics of the complex adaptive organization and the innovative ways complex leaders are developing practices and principles in leading and managing these new, emerging organizations. PMID:19633178

  7. Caring as emancipatory nursing praxis: the theory of relational caring complexity.

    PubMed

    Ray, Marilyn A; Turkel, Marian C

    2014-01-01

    In the culture of health care, nurses are challenged to understand their values and beliefs as humanistic within complex technical and economically driven bureaucratic systems. This article outlines the language of social justice and human rights and the advance of a Theory of Relational Caring Complexity, which offers insights into caring as emancipatory nursing praxis. Recommendations provide knowledge of the struggle to balance economics, technology, and caring. As nurses practice from a value-driven, philosophical, and ethical social justice framework, they will find "their voice" and realize the full potential that the power of caring has on patient and organizational outcomes. PMID:24786202

  8. Rhenium complexes with visible-light-induced anticancer activity.

    PubMed

    Kastl, Anja; Dieckmann, Sandra; Wähler, Kathrin; Völker, Timo; Kastl, Lena; Merkel, Anna Lena; Vultur, Adina; Shannan, Batool; Harms, Klaus; Ocker, Matthias; Parak, Wolfgang J; Herlyn, Meenhard; Meggers, Eric

    2013-06-01

    Shedding light on the matter: Rhenium(I) indolato complexes with highly potent visible-light-triggered antiproliferative activity (complex 1: EC50 light=0.1 μM vs EC50 dark=100 μM) in 2D- and 3D-organized cancer cells are reported and can be traced back to an efficient generation of singlet oxygen, causing rapid morphological changes and an induction of apoptosis. PMID:23568508

  9. Synthesis of Optically Active Polystyrene Catalyzed by Monophosphine Pd Complexes.

    PubMed

    Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Osakada, Kohtaro; Takeuchi, Daisuke

    2016-07-11

    Cationic Pd(II) monophosphine complexes derived from α- and β-cyclodextrins (CDs) promote the homopolymerization of styrene under carbon monoxide pressure. Although reversible CO coordination takes place under catalytic conditions according to (13) C NMR studies with (13) C-enriched CO, both complexes catalyze the formation of CO-free styrene polymers. These macromolecules display optical activity as a result of the presence of stereoregular sequences within the overall atactic polymer. PMID:27218801

  10. Complex time solutions with nontrivial topology and multiparticle scattering in Yang-Mills theory

    NASA Astrophysics Data System (ADS)

    Gould, Thomas M.; R. Poppitz, Erich

    1993-08-01

    A classical solution in Yang-Mills thoery is given a new semiclassical interpretation in terms of particle scattering. It solves the complex time boundary value problem which arises in the semiclassical approximation to a multiparticle transition probability in the one-instanton sector at fixed energy. The imaginary part of the action of the solution on the complex time contour and its topological charge obey the same relation as the self-dual Euclidean configurations. Hence the solution is relevant for the problem of tunneling with fermion number violation in the electroweak theory. It describes transitions from an initial state with a smaller number of particles to a final state with a larger umber of particles. The implications of these results for multiparticle production in the electroweak theory are also discussed.

  11. Understanding the dimensions of intensive care: transpersonal caring and complexity theories.

    PubMed

    do Nascimento, Keyla Cristiane; Erdmann, Alacoque Lorenzini

    2009-01-01

    This is a descriptive, interpretive and qualitative study carried out at the ICU of a Brazilian teaching hospital. It aimed to understand the dimensions of human caring experienced by health care professionals, clients and their family members at an ICU, based on human caring complexity. The Transpersonal Caring and Complexity theories support theory and data analysis. The following dimensions of care emerged from the themes analyzed according to Ricoeur: self-care, care as an individual value, professional vs. informal care, care as supportive relationship, affective care, humanized care, care as act/attitude, care practice; educative care, dialogical relationship, care coupled to technology, loving care, interactive care, non-care, care ambience, the essence of life and profession, and meaning/purpose of care. We believe in care that encompasses several dimensions presented here, based on the relationship with the other, on the empathetic, sensitive, affectionate, creative, dynamic and understanding being in the totality of the human being. PMID:19551275

  12. Why are the 2-oxoacid dehydrogenase complexes so large? Generation of an active trimeric complex.

    PubMed

    Marrott, Nia L; Marshall, Jacqueline J T; Svergun, Dmitri I; Crennell, Susan J; Hough, David W; van den Elsen, Jean M H; Danson, Michael J

    2014-11-01

    The four-component polypeptides of the 2-oxoacid dehydrogenase complex from the thermophilic archaeon Thermoplasma acidophilum assemble to give an active multienzyme complex possessing activity with the branched-chain 2-oxoacids derived from leucine, isoleucine and valine, and with pyruvate. The dihydrolipoyl acyl-transferase (E2) core of the complex is composed of identical trimer-forming units that assemble into a novel 42-mer structure comprising octahedral and icosahedral geometric aspects. From our previously determined structure of this catalytic core, the inter-trimer interactions involve a tyrosine residue near the C-terminus secured in a hydrophobic pocket of an adjacent trimer like a ball-and-socket joint. In the present study, we have deleted the five C-terminal amino acids of the E2 polypeptide (IIYEI) and shown by equilibrium centrifugation that it now only assembles into a trimeric enzyme. This was confirmed by SAXS analysis, although this technique showed the presence of approximately 20% hexamers. The crystal structure of the trimeric truncated E2 core has been determined and shown to be virtually identical with the ones observed in the 42-mer, demonstrating that removal of the C-terminal anchor does not significantly affect the individual monomer or trimer structures. The truncated E2 is still able to bind both 2-oxoacid decarboxylase (E1) and dihydrolipoamide dehydrogenase (E3) components to give an active complex with catalytic activity similar to the native multienzyme complex. This is the first report of an active mini-complex for this enzyme, and raises the question of why all 2-oxoacid dehydrogenase complexes assemble into such large structures. PMID:25088564

  13. Dynamic Self-Consistent Field Theory of Inhomogeneous Complex Fluids Under Shear

    NASA Astrophysics Data System (ADS)

    Mihajlovic, Maja; Lo, Tak Shing; Shnidman, Yitzhak

    2003-03-01

    Understanding and predicting the interplay between morphology and rheology of sheared, inhomogeneous, complex fluids is of great importance. Yet modeling of such phenomena is in its infancy. We have developed a novel dynamic self-consistent field (DSCF) theory that makes possible detailed computational study of such phenomena. Our DSCF theory couples the time evolution of chain conformation statistics with probabilistic transport equations for volume fractions and momenta, based on local conservation laws formulated on a segmental scale. To generate chain conformation statistics, we are using a modification of the lattice random walk formalism of Scheutjens and Fleer. Their static SCF theory is limited to equilibrium systems, since probability distributions are obtained by free energy minimization, assuming isotropic Gaussian chain conformations. In contrast, our DSCF approach accounts for explicit time evolution of the segmental and (anisotropic) stepping probabilities used for generating chain conformations. We will present highlights of DSCF studies of a variety of inhomogenous fluids containing homopolymers, block copolymers and nanoparticles.

  14. Theory of exciton annihilation in complexes of a finite number of molecular sites.

    PubMed

    Gülen, D

    1990-11-01

    A theory of the kinematics of singlet exciton annihilation in complexes of a finite number of molecular sites is developed. The theory is based on a specific scheme suggested earlier by Gülen, Wittmershaus, and Knox [Biophys J. 49:469-477 (1986)]. It is adequate to address the excitation kinetics and dynamics in such systems, especially under high excitation intensities. A Pauli master equation is formulated and is solved to give explicit expressions for observables such as quantum yield and fluorescence intensity. The excitation intensity dependence of the observables is taken into account by introducing Poisson statistics. Details relevant to its application to the annihilation of excitons in photosynthetic systems and its connection to earlier theories are presented. PMID:2134489

  15. The Advancement of Family Therapy Theory Based on the Science of Self-Organizing Complex Systems.

    NASA Astrophysics Data System (ADS)

    Ramsey-Kemper, Valerie Ann

    1995-01-01

    Problem. The purpose of this study was to review the literature which presents the latest advancements in the field of family therapy theory. Since such advancement has relied on the scientific developments in the study of autopoietic self-organizing complex systems, then the review began with an historical overview of the development of these natural scientific concepts. The study then examined how the latest scientific concepts have been integrated with family therapy practice. The document is built on the theory that individuals are living, complex, self-organizing, autopoietic systems. When individual systems interact with other individual systems (such as in family interaction, or in interaction between therapist and client), then a third system emerges, which is the relationship. It is through interaction in the relationship that transformation of an individual system can occur. Method. The historical antecedents of the field of family therapy were outlined. It was demonstrated, via literature review, that the field of family therapy has traditionally paralleled developments in the hard sciences. Further, it was demonstrated via literature review that the newest understandings of the development of individuals, family systems, and therapeutic systems also parallel recent natural science developments, namely those developments based on the science of self-organizing complex systems. Outcome. The results of the study are twofold. First, the study articulates an expanded theory of the therapist, individual, and family as autopoietic self-organizing complex systems. Second, the study provides an expanded hypothesis which concerns recommendations for future research which will further advance the latest theories of family therapy. More precisely, the expanded hypothesis suggests that qualitative research, rather than quantitative research, is the method of choice for studying the effectiveness of phenomenological therapy.

  16. Active mixing of complex fluids at the microscale

    PubMed Central

    Ober, Thomas J.; Foresti, Daniele; Lewis, Jennifer A.

    2015-01-01

    Mixing of complex fluids at low Reynolds number is fundamental for a broad range of applications, including materials assembly, microfluidics, and biomedical devices. Of these materials, yield stress fluids (and gels) pose the most significant challenges, especially when they must be mixed in low volumes over short timescales. New scaling relationships between mixer dimensions and operating conditions are derived and experimentally verified to create a framework for designing active microfluidic mixers that can efficiently homogenize a wide range of complex fluids. Active mixing printheads are then designed and implemented for multimaterial 3D printing of viscoelastic inks with programmable control of local composition. PMID:26396254

  17. Theory of simple biochemical ``shape recognition'' via diffusion from activator coated nanoshapes

    NASA Astrophysics Data System (ADS)

    Daniels, D. R.

    2008-09-01

    Inspired by recent experiments, we model the shape sensitivity, via a typical threshold initiation response, of an underlying complex biochemical reaction network to activator coated nanoshapes. Our theory re-emphasizes that shape effects can be vitally important for the onset of functional behavior in nanopatches and nanoparticles. For certain critical or particular shapes, activator coated nanoshapes do not evoke a threshold response in a complex biochemical network setting, while for different critical or specific shapes, the threshold response is rapidly achieved. The model thus provides a general theoretical understanding for how activator coated nanoshapes can enable a chemical system to perform simple "shape recognition," with an associated "all or nothing" response. The novel and interesting cases of the chemical response due to a nanoshape that shrinks with time is additionally considered, as well as activator coated nanospheres. Possible important applications of this work include the initiation of blood clotting by nanoshapes, nanoshape effects in nanocatalysis, physiological toxicity to nanoparticles, as well as nanoshapes in nanomedicine, drug delivery, and T cell immunological response. The aim of the theory presented here is that it inspires further experimentation on simple biochemical shape recognition via diffusion from activator coated nanoshapes.

  18. Quantum theory of the complex dielectric constant of free carriers in polar semiconductors

    SciTech Connect

    Jensen, B.

    1982-09-01

    The optical constants and reflectivity of a semiconductor are known as functions of the real and imaginary parts of the complex dielectric constant. The imaginary part of the complex dielectric constant e/sub 2/ is proportional to the optical conductivity, which has recently been calculated from the quantum density matrix equation of motion. The expression obtained for e/sub 2/ reduces to the Drude result, as obtained from the quasi-classical Boltzmann transport equation, in the limit of low frequencies and elastic scattering mechanisms, and to the quantum result found using time dependent perturbation theory in the limit of high frequencies. This paper derives the real part of the complex dielectric constant e/sub 1/ for a III-V or II-VI semiconductor with the band structure of the Kane theory, using the quantum density matrix method. The relation of e/sub 1/ to the second order perturbation energy of the system is shown, and the reflectivity is a minimum when the second order perturbation energy vanishes. The quantum calculation for e/sub 1/ gives approximately the same result as the Drude theory, except near the fundamental absorption edge, and reduces to the Drude result at low frequencies. Using the complex dielectric constant, the real and imaginary parts of the complex refractive index, the skin depth, and surface impedance, and the reflectivity are found. The plasma resonance is examined. The surface impedance and the skin depth are shown to reduce to the usual classical result in the limit that e/sub 1/ = 0 and w tau << 1, where w is the angular frequency of the applied field and tau is the electron scattering time.

  19. Water-soluble ruthenium complexes bearing activity against protozoan parasites.

    PubMed

    Sarniguet, Cynthia; Toloza, Jeannette; Cipriani, Micaella; Lapier, Michel; Vieites, Marisol; Toledano-Magaña, Yanis; García-Ramos, Juan Carlos; Ruiz-Azuara, Lena; Moreno, Virtudes; Maya, Juan Diego; Azar, Claudio Olea; Gambino, Dinorah; Otero, Lucía

    2014-06-01

    Parasitic illnesses are major causes of human disease and misery worldwide. Among them, both amebiasis and Chagas disease, caused by the protozoan parasites, Entamoeba histolytica and Trypanosoma cruzi, are responsible for thousands of annual deaths. The lack of safe and effective chemotherapy and/or the appearance of current drug resistance make the development of novel pharmacological tools for their treatment relevant. In this sense, within the framework of the medicinal inorganic chemistry, metal-based drugs appear to be a good alternative to find a pharmacological answer to parasitic diseases. In this work, novel ruthenium complexes [RuCl2(HL)(HPTA)2]Cl2 with HL=bioactive 5-nitrofuryl containing thiosemicarbazones and PTA=1,3,5-triaza-7-phosphaadamantane have been synthesized and fully characterized. PTA was included as co-ligand in order to modulate complexes aqueous solubility. In fact, obtained complexes were water soluble. Their activity against T. cruzi and E. histolytica was evaluated in vitro. [RuCl2(HL4)(HPTA)2]Cl2 complex, with HL4=N-phenyl-5-nitrofuryl-thiosemicarbazone, was the most active compound against both parasites. In particular, it showed an excellent activity against E. histolytica (half maximal inhibitory concentration (IC50)=5.2 μM), even higher than that of the reference drug metronidazole. In addition, this complex turns out to be selective for E. histolytica (selectivity index (SI)>38). The potential mechanism of antiparasitic action of the obtained ruthenium complexes could involve oxidative stress for both parasites. Additionally, complexes could interact with DNA as second potential target by an intercalative-like mode. Obtained results could be considered a contribution in the search for metal compounds that could be active against multiple parasites. PMID:24740394

  20. CURRENT AND KINETIC HELICITY OF LONG-LIVED ACTIVITY COMPLEXES

    SciTech Connect

    Komm, Rudolf; Gosain, Sanjay

    2015-01-01

    We study long-lived activity complexes and their current helicity at the solar surface and their kinetic helicity below the surface. The current helicity has been determined from synoptic vector magnetograms from the NSO/SOLIS facility, and the kinetic helicity of subsurface flows has been determined with ring-diagram analysis applied to full-disk Dopplergrams from NSO/GONG and SDO/HMI. Current and kinetic helicity of activity complexes follow the hemispheric helicity rule with mainly positive values (78%; 78%, respectively, with a 95% confidence level of 31%) in the southern hemisphere and negative ones (80%; 93%, respectively, with a 95% confidence level of 22% and 14%, respectively) in the northern hemisphere. The locations with the dominant sign of kinetic helicity derived from Global Oscillation Network Group (GONG) and SDO/HMI data are more organized than those of the secondary sign even if they are not part of an activity complex, while locations with the secondary sign are more fragmented. This is the case for both hemispheres even for the northern one where it is not as obvious visually due to the large amount of magnetic activity present as compared to the southern hemisphere. The current helicity shows a similar behavior. The dominant sign of current helicity is the same as that of kinetic helicity for the majority of the activity complexes (83% with a 95% confidence level of 15%). During the 24 Carrington rotations analyzed here, there is at least one longitude in each hemisphere where activity complexes occur repeatedly throughout the epoch. These ''active'' longitudes are identifiable as locations of strong current and kinetic helicity of the same sign.

  1. Binuclear Rhodium(II) Complexes With Selective Antibacterial Activity.

    PubMed

    Bień, M; Lachowicz, T M; Rybka, A; Pruchnik, F P; Trynda, L

    1997-01-01

    Binuclear rhodium(II) complexes [Rh(2)Cl(2)(mu-OOCR)(2)(N-N)(2)] {R = H, Me; N-N = 2,2'-bipyridine (bpy), 1,10-phenanthroline (phen)} and [Rh(2)(mu-OOCR)(2)(N-N)(2)(H(2)O)(2)](RCOO)(2) (R = Me, Et;) have been synthesized and their structure and properties have been studied by electronic, IR and (1)H NMR spectroscopy. Antibacterial activity of these complexes against Escherichia coli and Staphylococcus aureus has been investigated. The most active antibacterial agents against E. coli were [Rh(2)Cl(2)(mu-OOCR)(2)(N-N)(2)] and [Rh(2)(mu-OOCR)(2)(N-N)(2)(H(2)O)(2)](RCOO)(2) {R = H and Me} which were considerably more active than the appropriate nitrogen ligands. The complexes show low activity against S. aureus. The activity of the complexes [Rh(2)(OOCR)(2)(N-N)(2)(H(2)O)(2)](OOCR)(2) against E. coli decreases in the series: R=H congruent withCH(3)>C(2)H(5)>C(3)H(7) congruent withC(4)H(9). The reverse order was found in the case of S. aureus. PMID:18475773

  2. Age-Dependent Decrease of Mitochondrial Complex II Activity in Human Skin Fibroblasts.

    PubMed

    Bowman, Amy; Birch-Machin, Mark A

    2016-05-01

    The mitochondrial theory of aging remains one of the most widely accepted aging theories and implicates mitochondrial electron transport chain dysfunction with subsequent increasing free radical generation. Recently, complex II of the electron transport chain appears to be more important than previously thought in this process, suggested predominantly by nonhuman studies. We investigated the relationship between complex II and aging using human skin as a model tissue. The rate of complex II activity per unit of mitochondria was determined in fibroblasts and keratinocytes cultured from skin covering a wide age range. Complex II activity significantly decreased with age in fibroblasts (P = 0.015) but not in keratinocytes. This was associated with a significant decline in transcript expression (P = 0.008 and P = 0.001) and protein levels (P = 0.0006 and P = 0.005) of the succinate dehydrogenase complex subunit A and subunit B catalytic subunits of complex II, respectively. In addition, there was a significant decrease in complex II activity with age (P = 0.029) that was specific to senescent skin cells. There was no decrease in complex IV activity with increasing age, suggesting possible locality to complex II. PMID:26829036

  3. Comparison of Solar Active Region Complexity Andgeomagnetic Activity from 1996 TO 2014

    NASA Astrophysics Data System (ADS)

    Tanskanen, E. I.; Nikbakhsh, S.; Perez-Suarez, D.; Hackman, T.

    2015-12-01

    We have studied the influence of magnetic complexity of solar Active Regions (ARs)on geomagnetic activity from 1996 to 2014. Sunspots are visual indicators of ARswhere the solar magnetic field is disturbed. We have used International, American,Space Environment Service Center (SESC) and Space Weather Prediction Center(SWPC) sunspot numbers to examine ARs. Major manifestations of solar magneticactivity, such as flares and Coronal Mass Ejections (CMEs), are associated withARs. For this study we chose the Mount Wilson scheme. It classifies ARs in terms oftheir magnetic topology from the least complex (?) to the most complex one ( ?).Several cases have been found where the more complex structures produce strongerflares and CMEs than the less complex ones. We have a list of identified substormsavailable with different phases and their durations. This will be compared to ourmagnetic complexity data to analyse the effects of active region magnetic complexityto the magnetic activity on the vicinity of the Earth.

  4. Photoactivatable metal complexes: from theory to applications in biotechnology and medicine

    PubMed Central

    Smith, Nichola A.; Sadler, Peter J.

    2013-01-01

    This short review highlights some of the exciting new experimental and theoretical developments in the field of photoactivatable metal complexes and their applications in biotechnology and medicine. The examples chosen are based on some of the presentations at the Royal Society Discussion Meeting in June 2012, many of which are featured in more detail in other articles in this issue. This is a young field. Even the photochemistry of well-known systems such as metal–carbonyl complexes is still being elucidated. Striking are the recent developments in theory and computation (e.g. time-dependent density functional theory) and in ultrafast-pulsed radiation techniques which allow photochemical reactions to be followed and their mechanisms to be revealed on picosecond/nanosecond time scales. Not only do some metal complexes (e.g. those of Ru and Ir) possess favourable emission properties which allow functional imaging of cells and tissues (e.g. DNA interactions), but metal complexes can also provide spatially controlled photorelease of bioactive small molecules (e.g. CO and NO)—a novel strategy for site-directed therapy. This extends to cancer therapy, where metal-based precursors offer the prospect of generating excited-state drugs with new mechanisms of action that complement and augment those of current organic photosensitizers. PMID:23776303

  5. Efficient Management of Complex Striped Files in Active Storage

    SciTech Connect

    Piernas Canovas, Juan; Nieplocha, Jaroslaw

    2008-08-25

    Active Storage provides an opportunity for reducing the band- width requirements between the storage and compute elements of cur- rent supercomputing systems, and leveraging the processing power of the storage nodes used by some modern file systems. To achieve both objec- tives, Active Storage allows certain processing tasks to be performed directly on the storage nodes, near the data they manage. However, Active Storage must also support key requirements of scientific applications. In particular, Active Storage must be able to support striped files and files with complex formats (e.g., netCDF). In this paper, we describe how these important requirements can be addressed. The experimental results on a Lustre file system not only show that our proposal can re- duce the network traffic to near zero and scale the performance with the number of storage nodes, but also that it provides an efficient treatment of striped files and can manage files with complex data structures.

  6. Environmental layout complexity affects neural activity during navigation in humans.

    PubMed

    Slone, Edward; Burles, Ford; Iaria, Giuseppe

    2016-05-01

    Navigating large-scale surroundings is a fundamental ability. In humans, it is commonly assumed that navigational performance is affected by individual differences, such as age, sex, and cognitive strategies adopted for orientation. We recently showed that the layout of the environment itself also influences how well people are able to find their way within it, yet it remains unclear whether differences in environmental complexity are associated with changes in brain activity during navigation. We used functional magnetic resonance imaging to investigate how the brain responds to a change in environmental complexity by asking participants to perform a navigation task in two large-scale virtual environments that differed solely in interconnection density, a measure of complexity defined as the average number of directional choices at decision points. The results showed that navigation in the simpler, less interconnected environment was faster and more accurate relative to the complex environment, and such performance was associated with increased activity in a number of brain areas (i.e. precuneus, retrosplenial cortex, and hippocampus) known to be involved in mental imagery, navigation, and memory. These findings provide novel evidence that environmental complexity not only affects navigational behaviour, but also modulates activity in brain regions that are important for successful orientation and navigation. PMID:26990572

  7. A density functional theory study of uranium(VI) nitrate monoamide complexes.

    PubMed

    Prestianni, Antonio; Joubert, Laurent; Chagnes, Alexandre; Cote, Gérard; Adamo, Carlo

    2011-11-21

    Density functional theory calculations were performed on uranyl complexed with nitrate and monoamide ligands (L) [UO(2)(NO(3))(2)·2L]. The obtained results show that the complex stability is mainly governed by two factors: (i) the maximization of the polarizability of the coordinating ligand and (ii) the minimization of the steric hindrance effects. Furthermore, the electrostatic interaction between ligands and uranium(vi) was found to be a crucial parameter for the complex stability. These results pave the way to the definition of (quantitative) property/structure relationships for the in silico screening of monoamide ligands with improved extraction efficiency of uranium(vi) in nitrate acidic solution. PMID:21952360

  8. Analyzing Activities in the Course of Science Education, According to Activity Theory: The Case of Sound

    ERIC Educational Resources Information Center

    Theodoraki, Xarikleia; Plakitsi, Katerina

    2013-01-01

    In the present study, we analyze activities on the topic of sound, which are performed in the science education laboratory lessons in the third-year students of the Department of Early Childhood Education at the University of Ioannina. The analysis of the activities is based on one of the most modern learning theories of CHAT (Cultural Historical…

  9. Activation of the C-H bond by metal complexes

    NASA Astrophysics Data System (ADS)

    Shilov, Aleksandr E.; Shul'pin, Georgiy B.

    1990-09-01

    Reactions involving the cleavage of C-H bonds by metal complexes in saturated and aromatic hydrocarbons and also in other compounds are examined. Some of these processes occur with formation of a carbon-metal bond, whilst in others the interaction of the complexes with the hydrocarbon takes place without direct contact between the metal atom and the C-H bonds. Metal compounds are widely used as initiators of the liquid-phase oxidation of hydrocarbons at relatively low temperatures. There is a prospect of creating new technologies for the chemical processing of petroleum and gas hydrocarbons, whereby they can be converted into valuable products, for example, into alcohols, ketones, and carboxylic acids, on the basis of processes involving metal complexes. The study of the metal complex activation of the C-H bond also makes it possible to understand and model the metalloenzyme-catalysed hydrocarbon oxidation reactions in the living cell. The bibliography includes 340 references.

  10. C-H bond activation by f-block complexes.

    PubMed

    Arnold, Polly L; McMullon, Max W; Rieb, Julia; Kühn, Fritz E

    2015-01-01

    Most homogeneous catalysis relies on the design of metal complexes to trap and convert substrates or small molecules to value-added products. Organometallic lanthanide compounds first gave a tantalizing glimpse of their potential for catalytic C-H bond transformations with the selective cleavage of one C-H bond in methane by bis(permethylcyclopentadienyl)lanthanide methyl [(η(5) -C5 Me5 )2 Ln(CH3 )] complexes some 25 years ago. Since then, numerous metal complexes from across the periodic table have been shown to selectively activate hydrocarbon C-H bonds, but the challenges of closing catalytic cycles still remain; many f-block complexes show great potential in this important area of chemistry. PMID:25384554

  11. Synthesis, characterization and antioxidant activity copper-quercetin complex

    NASA Astrophysics Data System (ADS)

    Bukhari, S. Birjees; Memon, Shahabuddin; Mahroof-Tahir, M.; Bhanger, M. I.

    2009-01-01

    Quercetin (3,3',4',5,7-pentahydroxyflavone) one of the most abundant dietary flavonoids, has been investigated in the presence of Cu(II) in methanol. The spectroscopic studies (UV-vis, 1H NMR and IR) were useful to assess the relevant interaction of Quercetin with Cu(II) ions, the chelation sites and dependence of the complex structure from the metal/ligand ratio. A 1:2 (L:M) complex was indicated by Job's method of continuous variation, which was applied to ascertain the stoichiometric composition of the complex. The antioxidant activities of the compounds were evaluated by using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging method. The complexed flavonoid was much more effective free radical scavengers than the free flavonoids.

  12. Cultural-Historical Activity Theory and Domain Analysis: Metatheoretical Implications for Information Science

    ERIC Educational Resources Information Center

    Wang, Lin

    2013-01-01

    Background: Cultural-historical activity theory is an important theory in modern psychology. In recent years, it has drawn more attention from related disciplines including information science. Argument: This paper argues that activity theory and domain analysis which uses the theory as one of its bases could bring about some important…

  13. Using Activity Theory to Evaluate a Professional Learning and Development Initiative in the Use of Narrative Assessment

    ERIC Educational Resources Information Center

    Bourke, Roseanna; Mentis, Mandia; O'Neill, John

    2013-01-01

    Analysis of the impact of professional learning and development (PLD) programmes for educators is complex. This article presents an analysis of a PLD initiative in which classroom teachers learned to use narrative assessment for students with "high" and "very high" learning needs. Using Cultural Historical Activity Theory (CHAT), the analysis…

  14. Applying an Activity Theory Lens to Designing Instruction for Learning about the Structure, Behavior, and Function of a Honeybee System

    ERIC Educational Resources Information Center

    Danish, Joshua A.

    2014-01-01

    This article reports on a study in which activity theory was used to design, implement, and analyze a 10-week curriculum unit about how honeybees collect nectar with a particular focus on complex systems concepts. Students (n = 42) in a multi-year kindergarten and 1st-grade classroom participated in this study as part of their 10 regular classroom…

  15. Theory-Driven Intervention for Changing Personality: Expectancy Value Theory, Behavioral Activation, and Conscientiousness

    PubMed Central

    Magidson, Jessica F.; Roberts, Brent; Collado-Rodriguez, Anahi; Lejuez, C.W.

    2013-01-01

    Considerable evidence suggests that personality traits may be changeable, raising the possibility that personality traits most linked to health problems can be modified with intervention. A growing body of research suggests that problematic personality traits may be altered with behavioral intervention using a bottom-approach. That is, by targeting core behaviors that underlie personality traits with the goal of engendering new, healthier patterns of behavior that over time become automatized and manifest in changes in personality traits. Nevertheless, a bottom-up model for changing personality traits is somewhat diffuse and requires clearer integration of theory and relevant interventions to enable real clinical application. As such, this manuscript proposes a set of guiding principles for theory-driven modification of targeted personality traits using a bottom-up approach, focusing specifically on targeting the trait of conscientiousness using a relevant behavioral intervention, Behavioral Activation (BA), considered within the motivational framework of Expectancy Value Theory (EVT). We conclude with a real case example of the application of BA to alter behaviors counter to conscientiousness in a substance dependent patient, highlighting the EVT principles most relevant to the approach and the importance and viability of a theoretically-driven, bottom-up approach to changing personality traits. PMID:23106844

  16. Theory of Activated Relaxation in Nanoscale Confined Liquids

    NASA Astrophysics Data System (ADS)

    Mirigian, Stephen; Schweizer, Kenneth

    2014-03-01

    We extend the recently developed Elastically Cooperative Nonlinear Langevin Equation(ECNLE) theory of activated relaxation in supercooled liquids to treat the case of geometrically confined liquids. Generically, confinement of supercooled liquids leads to a speeding up of the dynamics(with a consequent depression of the glass transition temperature) extending on the order of tens of molecular diameters away from a free surface. At present, this behavior is not theoretically well understood. Our theory interprets the speed up in dynamics in terms of two coupled effects. First, a direct surface effect, extending two to three molecular diameters from a free surface, and related to a local rearrangement of molecules with a single cage. The second is a longer ranged ``confinement'' effect, extending tens of molecular diameters from a free surface and related to the long range elastic penalty necessary for a local rearrangement. The theory allows for the calculation of relaxation time and Tg profiles within a given geometry and first principles calculations of relevant length scales. Comparison to both dynamic and pseudo-thermodynamic measurements shows reasonable agreement to experiment with no adjustable parameters.

  17. Immersion freezing of ice nucleating active protein complexes

    NASA Astrophysics Data System (ADS)

    Hartmann, S.; Augustin, S.; Clauss, T.; Voigtländer, J.; Niedermeier, D.; Wex, H.; Stratmann, F.

    2012-08-01

    Biological particles, e.g. bacteria and their Ice Nucleating Active (INA) protein complexes, might play an important role for the ice formation in atmospheric mixed-phase clouds. Therefore, the immersion freezing behavior of INA protein complexes generated from a SnomaxTM solution/suspension was investigated as function of temperature in a range of -5 °C to -38 °C at the Leipzig Aerosol Cloud Interaction Simulator (LACIS). The immersion freezing of droplets containing small numbers of INA protein complexes occurs in a temperature range of -7 °C and -10 °C. The experiments performed in the lower temperature range, where all droplets freeze which contain at least one INA protein complex, are used to determine the average number of INA protein complexes present, assuming that the INA protein complexes are Poisson distributed over the droplet ensemble. Knowing the average number of INA protein complexes, the heterogeneous ice nucleation rate and rate coefficient of a single INA protein complex is determined by using the newly-developed CHESS model (stoCHastic model of idEntical poiSSon distributed ice nuclei). Therefore, we assume the ice nucleation process to be of stochastic nature, and a parameterization of the INA protein complex's nucleation rate. Analyzing the results of immersion freezing experiments from literature (SnomaxTM and Pseudomonas syringae bacteria), to results gained in this study, demonstrates that first, a similar temperature dependence of the heterogeneous ice nucleation rate for a single INA protein complex was found in all experiments, second, the shift of the ice fraction curves to higher temperatures can be explained consistently by a higher average number of INA protein complexes being present in the droplet ensemble, and finally the heterogeneous ice nucleation rate of one single INA protein complex might be also applicable for intact Pseudomonas syringae bacteria cells. The results obtained in this study allow a new perspective on the

  18. A new theory of development: the generation of complexity in ontogenesis.

    PubMed

    Barbieri, Marcello

    2016-03-13

    Today there is a very wide consensus on the idea that embryonic development is the result of a genetic programme and of epigenetic processes. Many models have been proposed in this theoretical framework to account for the various aspects of development, and virtually all of them have one thing in common: they do not acknowledge the presence of organic codes (codes between organic molecules) in ontogenesis. Here it is argued instead that embryonic development is a convergent increase in complexity that necessarily requires organic codes and organic memories, and a few examples of such codes are described. This is the code theory of development, a theory that was originally inspired by an algorithm that is capable of reconstructing structures from incomplete information, an algorithm that here is briefly summarized because it makes it intuitively appealing how a convergent increase in complexity can be achieved. The main thesis of the new theory is that the presence of organic codes in ontogenesis is not only a theoretical necessity but, first and foremost, an idea that can be tested and that has already been found to be in agreement with the evidence. PMID:26857661

  19. Similar Biological Activities of Two Isostructural Ruthenium and Osmium Complexes

    SciTech Connect

    Maksimoska,J.; Williams, D.; Atilla-Gokcumen, G.; Smalley, K.; Carroll, P.; Webster, R.; Filippakopoulos, P.; Knapp, S.; Herlyn, M.; Meggers, E.

    2008-01-01

    In this study, we probe and verify the concept of designing unreactive bioactive metal complexes, in which the metal possesses a purely structural function, by investigating the consequences of replacing ruthenium in a bioactive half-sandwich kinase inhibitor scaffold by its heavier congener osmium. The two isostructural complexes are compared with respect to their anticancer properties in 1205?Lu melanoma cells, activation of the Wnt signaling pathway, IC50 values against the protein kinases GSK-3? and Pim-1, and binding modes to the protein kinase Pim-1 by protein crystallography. It was found that the two congeners display almost indistinguishable biological activities, which can be explained by their nearly identical three-dimensional structures and their identical mode of action as protein kinase inhibitors. This is a unique example in which the replacement of a metal in an anticancer scaffold by its heavier homologue does not alter its biological activity.

  20. Superoxide scavenging activity of pirfenidone-iron complex

    SciTech Connect

    Mitani, Yoshihiro; Sato, Keizo Muramoto, Yosuke; Karakawa, Tomohiro; Kitamado, Masataka; Iwanaga, Tatsuya; Nabeshima, Tetsuji; Maruyama, Kumiko; Nakagawa, Kazuko; Ishida, Kazuhiko; Sasamoto, Kazumi

    2008-07-18

    Pirfenidone (PFD) is focused on a new anti-fibrotic drug, which can minimize lung fibrosis etc. We evaluated the superoxide (O{sub 2}{sup {center_dot}}{sup -}) scavenging activities of PFD and the PFD-iron complex by electron spin resonance (ESR) spectroscopy, luminol-dependent chemiluminescence assay, and cytochrome c reduction assay. Firstly, we confirmed that the PFD-iron complex was formed by mixing iron chloride with threefold molar PFD, and the complex was stable in distillated water and ethanol. Secondary, the PFD-iron complex reduced the amount of O{sub 2}{sup {center_dot}}{sup -} produced by xanthine oxidase/hypoxanthine without inhibiting the enzyme activity. Thirdly, it also reduced the amount of O{sub 2}{sup {center_dot}}{sup -} released from phorbor ester-stimulated human neutrophils. PFD alone showed few such effects. These results suggest the possibility that the O{sub 2}{sup {center_dot}}{sup -} scavenging effect of the PFD-iron complex contributes to the anti-fibrotic action of PFD used for treating idiopathic pulmonary fibrosis.

  1. Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency (17)O-Hyperfine EPR Spectroscopies and Density Functional Theory.

    PubMed

    Rapatskiy, Leonid; Ames, William M; Pérez-Navarro, Montserrat; Savitsky, Anton; Griese, Julia J; Weyhermüller, Thomas; Shafaat, Hannah S; Högbom, Martin; Neese, Frank; Pantazis, Dimitrios A; Cox, Nicholas

    2015-10-29

    Multifrequency pulsed EPR data are reported for a series of oxygen bridged (μ-oxo/μ-hydroxo) bimetallic manganese complexes where the oxygen is labeled with the magnetically active isotope (17)O (I = 5/2). Two synthetic complexes and two biological metallocofactors are examined: a planar bis-μ-oxo bridged complex and a bent, bis-μ-oxo-μ-carboxylato bridge complex; the dimanganese catalase, which catalyzes the dismutation of H2O2 to H2O and O2, and the recently identified manganese/iron cofactor of the R2lox protein, a homologue of the small subunit of the ribonuclotide reductase enzyme (class 1c). High field (W-band) hyperfine EPR spectroscopies are demonstrated to be ideal methods to characterize the (17)O magnetic interactions, allowing a magnetic fingerprint for the bridging oxygen ligand to be developed. It is shown that the μ-oxo bridge motif displays a small positive isotropic hyperfine coupling constant of about +5 to +7 MHz and an anisotropic/dipolar coupling of -9 MHz. In addition, protonation of the bridge is correlated with an increase of the hyperfine coupling constant. Broken symmetry density functional theory is evaluated as a predictive tool for estimating hyperfine coupling of bridging species. Experimental and theoretical results provide a framework for the characterization of the oxygen bridge in Mn metallocofactor systems, including the water oxidizing cofactor of photosystem II, allowing the substrate/solvent interface to be examined throughout its catalytic cycle. PMID:26225537

  2. Lessons from isolable nickel(I) precursor complexes for small molecule activation.

    PubMed

    Yao, Shenglai; Driess, Matthias

    2012-02-21

    density functional theory (DFT) calculations, the geometric and electronic structures of these complexes were established and their distinctive reactivity, including the unprecedented monooxygenase-like activity of a bis(μ-oxo)nickel-iron complex, was studied. The studies have further led to other heterobimetallic complexes containing a [NiO(2)M] core, which are useful for understanding the influence of the heterometal on structure-reactivity relationships. The activation of N(2)O led directly to the hydrogen-atom abstraction product bis(μ-hydroxo)nickel(II) species and prevented isolation of any intermediate. In contrast, the activation of elemental S, Se, and Te with the same nickel(I) reagent furnished activation products with superchalcogenido E(2)(-) (E is S, Se, or Te) and dichalcogenido E(2)(2-) ligand in different activation stages. The isolable supersulfidonickel(II) subunit may serve as a versatile building block for the synthesis of heterobimetallic disulfidonickel(II) complexes with a [NiS(2)M] core. In the case of white phosphorus, the P(4) molecule has been coordinated to the nickel(I) center of dinuclear β-diketiminatonickel(I) precursor complexes; however, the whole P(4) subunit is a weaker electron acceptor than the dichalcogen ligands E(2), thus remaining unreduced. This P(4) binding mode is rare and could open new doors for subsequent functionalization of P(4). Our advances in understanding how these small molecules are bound to a nickel(I) center and are activated for further transformation offer promise for designing new catalysts. These nickel-containing complexes offer exceptional potential for nickel-mediated transformations of organic molecules and as model compounds for mimicking active sites of nickel-containing metalloenzymes. PMID:21875073

  3. Normalisation process theory: a framework for developing, evaluating and implementing complex interventions

    PubMed Central

    2010-01-01

    Background The past decade has seen considerable interest in the development and evaluation of complex interventions to improve health. Such interventions can only have a significant impact on health and health care if they are shown to be effective when tested, are capable of being widely implemented and can be normalised into routine practice. To date, there is still a problematic gap between research and implementation. The Normalisation Process Theory (NPT) addresses the factors needed for successful implementation and integration of interventions into routine work (normalisation). Discussion In this paper, we suggest that the NPT can act as a sensitising tool, enabling researchers to think through issues of implementation while designing a complex intervention and its evaluation. The need to ensure trial procedures that are feasible and compatible with clinical practice is not limited to trials of complex interventions, and NPT may improve trial design by highlighting potential problems with recruitment or data collection, as well as ensuring the intervention has good implementation potential. Summary The NPT is a new theory which offers trialists a consistent framework that can be used to describe, assess and enhance implementation potential. We encourage trialists to consider using it in their next trial. PMID:20961442

  4. Testing Punctuated Equilibrium Theory Using Evolutionary Activity Statistics

    NASA Astrophysics Data System (ADS)

    Woodberry, O. G.; Korb, K. B.; Nicholson, A. E.

    The Punctuated Equilibrium hypothesis (Eldredge and Gould,1972) asserts that most evolutionary change occurs during geologically rapid speciation events, with species exhibiting stasis most of the time. Punctuated Equilibrium is a natural extension of Mayr's theories on peripatric speciation via the founder effect, (Mayr, 1963; Eldredge and Gould, 1972) which associates changes in diversity to a population bottleneck. That is, while the formation of a foundation bottleneck brings an initial loss of genetic variation, it may subsequently result in the emergence of a child species distinctly different from its parent species. In this paper we adapt Bedau's evolutionary activity statistics (Bedau and Packard, 1991) to test these effects in an ALife simulation of speciation. We find a relative increase in evolutionary activity during speciations events, indicating that punctuation is occurring.

  5. The theory of an active magnetic regenerative refrigerator

    NASA Technical Reports Server (NTRS)

    Barclay, J. A.

    1983-01-01

    The adiabatic temperature change with field which is limited to about 2 K/Tesla for ferromagnets near their Curie temperatures by the change of magnetization with temperature and the lattice heat capacity is discussed. Practical magnetic refrigerators operate on a regenerative cycle such as the Brayton cycle. This cycle can be executed through the use of an active magnetic regenerator, i.e., a regenerator composed of magnetic material that is cycled in an out of a magnetic field with appropriate fluid flows. The theory of these devices is predicted by solving the partial differential equations that describe fluid and the magnetic solid. The active magnetic regenerator is described along with the method of calculation. Temperature profiles for a normal regenerator and a magnetic regenerative refrigerator are shown.

  6. Minimal continuum theories of structure formation in dense active fluids

    NASA Astrophysics Data System (ADS)

    Dunkel, Jörn; Heidenreich, Sebastian; Bär, Markus; Goldstein, Raymond E.

    2013-04-01

    Self-sustained dynamical phases of living matter can exhibit remarkable similarities over a wide range of scales, from mesoscopic vortex structures in microbial suspensions and motility assays of biopolymers to turbulent large-scale instabilities in flocks of birds or schools of fish. Here, we argue that, in many cases, the phenomenology of such active states can be efficiently described in terms of fourth- and higher-order partial differential equations. Structural transitions in these models can be interpreted as Landau-type kinematic transitions in Fourier (wavenumber) space, suggesting that microscopically different biological systems can share universal long-wavelength features. This general idea is illustrated through numerical simulations for two classes of continuum models for incompressible active fluids: a Swift-Hohenberg-type scalar field theory, and a minimal vector model that extends the classical Toner-Tu theory and appears to be a promising candidate for the quantitative description of dense bacterial suspensions. We discuss how microscopic symmetry-breaking mechanisms can enter macroscopic continuum descriptions of collective microbial motion near surfaces, and conclude by outlining future applications.

  7. Genome-wide activities of Polycomb complexes control pervasive transcription.

    PubMed

    Lee, Hun-Goo; Kahn, Tatyana G; Simcox, Amanda; Schwartz, Yuri B; Pirrotta, Vincenzo

    2015-08-01

    Polycomb group (PcG) complexes PRC1 and PRC2 are well known for silencing specific developmental genes. PRC2 is a methyltransferase targeting histone H3K27 and producing H3K27me3, essential for stable silencing. Less well known but quantitatively much more important is the genome-wide role of PRC2 that dimethylates ∼70% of total H3K27. We show that H3K27me2 occurs in inverse proportion to transcriptional activity in most non-PcG target genes and intergenic regions and is governed by opposing roaming activities of PRC2 and complexes containing the H3K27 demethylase UTX. Surprisingly, loss of H3K27me2 results in global transcriptional derepression proportionally greatest in silent or weakly transcribed intergenic and genic regions and accompanied by an increase of H3K27ac and H3K4me1. H3K27me2 therefore sets a threshold that prevents random, unscheduled transcription all over the genome and even limits the activity of highly transcribed genes. PRC1-type complexes also have global roles. Unexpectedly, we find a pervasive distribution of histone H2A ubiquitylated at lysine 118 (H2AK118ub) outside of canonical PcG target regions, dependent on the RING/Sce subunit of PRC1-type complexes. We show, however, that H2AK118ub does not mediate the global PRC2 activity or the global repression and is predominantly produced by a new complex involving L(3)73Ah, a homolog of mammalian PCGF3. PMID:25986499

  8. Intermolecular symmetry-adapted perturbation theory study of large organic complexes

    SciTech Connect

    Heßelmann, Andreas; Korona, Tatiana

    2014-09-07

    Binding energies for the complexes of the S12L database by Grimme [Chem. Eur. J. 18, 9955 (2012)] were calculated using intermolecular symmetry-adapted perturbation theory combined with a density-functional theory description of the interacting molecules. The individual interaction energy decompositions revealed no particular change in the stabilisation pattern as compared to smaller dimer systems at equilibrium structures. This demonstrates that, to some extent, the qualitative description of the interaction of small dimer systems may be extrapolated to larger systems, a method that is widely used in force-fields in which the total interaction energy is decomposed into atom-atom contributions. A comparison of the binding energies with accurate experimental reference values from Grimme, the latter including thermodynamic corrections from semiempirical calculations, has shown a fairly good agreement to within the error range of the reference binding energies.

  9. Time-dependent density functional theory study of the luminescence properties of gold phosphine thiolate complexes.

    PubMed

    Guidez, Emilie B; Aikens, Christine M

    2015-04-01

    The origin of the emission of the gold phosphine thiolate complex (TPA)AuSCH(CH3)2 (TPA = 1,3,5-triaza-7-phosphaadamantanetriylphosphine) is investigated using time-dependent density functional theory (TDDFT). This system absorbs light at 3.6 eV, which corresponds mostly to a ligand-to-metal transition with some interligand character. The P-Au-S angle decreases upon relaxation in the S1 and T1 states. Our calculations show that these two states are strongly spin-orbit coupled at the ground state geometry. Ligand effects on the optical properties of this complex are also discussed by looking at the simple AuP(CH3)3SCH3 complex. The excitation energies differ by several tenths of an electronvolt. Excited state optimizations show that the excited singlet and triplet of the (TPA)AuSCH(CH3)2 complex are bent. On the other hand, the Au-S bond breaks in the excited state for the simple complex, and TDDFT is no longer an adequate method. The excited state energy landscape of gold phosphine thiolate systems is very complex, with several state crossings. This study also shows that the formation of the [(TPA)AuSCH(CH3)2]2 dimer is favorable in the ground state. The inclusion of dispersion interactions in the calculations affects the optimized geometries of both ground and excited states. Upon excitation, the formation of a Au-Au bond occurs, which results in an increase in energy of the low energy excited states in comparison to the monomer. The experimentally observed emission of the (TPA)AuSCH(CH3)2 complex at 1.86 eV cannot be unambiguously assigned and may originate from several excited states. PMID:25793466

  10. A Fractal Dimension Survey of Active Region Complexity

    NASA Technical Reports Server (NTRS)

    McAteer, R. T. James; Gallagher, Peter; Ireland, Jack

    2005-01-01

    A new approach to quantifying the magnetic complexity of active regions using a fractal dimension measure is presented. This fully-automated approach uses full disc MDI magnetograms of active regions from a large data set (2742 days of the SoHO mission; 9342 active regions) to compare the calculated fractal dimension to both Mount Wilson classification and flare rate. The main Mount Wilson classes exhibit no distinct fractal dimension distribution, suggesting a self-similar nature of all active regions. Solar flare productivity exhibits an increase in both the frequency and GOES X-ray magnitude of flares from regions with higher fractal dimensions. Specifically a lower threshold fractal dimension of 1.2 and 1.25 exists as a necessary, but not sufficient, requirement for an active region to produce M- and X-class flares respectively .

  11. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.

    PubMed

    Mrugalla, Florian; Kast, Stefan M

    2016-09-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems. PMID:27366935

  12. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

    NASA Astrophysics Data System (ADS)

    Mrugalla, Florian; Kast, Stefan M.

    2016-09-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute–solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute–solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

  13. Geometric complexity identifies platelet activation in familial hypercholesterolemic patients.

    PubMed

    Bianciardi, Giorgio; Aglianò, Margherita; Volpi, Nila; Stefanutti, Claudia

    2015-06-01

    Familial hypercholesterolemia (FH), a genetic disease, is associated with a severe incidence of athero-thrombotic events, related, also, to platelet hyperreactivity. A plethora of methods have been proposed to identify those activated circulating platelets, none of these has proved really effective. We need efficient methods to identify the circulating platelet status in order to follow the patients after therapeutic procedures. We propose the use of computerized fractal analysis for an objective characterization of the complexity of circulating platelet shapes observed by means of transmission electron microscopy in order to characterize the in vivo hyperactivated platelets of familial hypercholesterolemic patients, distinguishing them from the in vivo resting platelets of healthy individuals. Platelet boundaries were extracted by means of automatically image analysis. Geometric complexity (fractal dimension, D) by box counting was automatically calculated. The platelet boundary observed by electron microscopy is fractal, the shape of the circulating platelets is more complex in FH (n = 6) than healthy subjects (n = 5, P < 0.01), with 100% correct classification in selected individuals. In vitro activated platelets from healthy subjects show an analogous increase of D. The observed high D in the platelet boundary in FH originates from the in vivo platelet activation. Computerized fractal analysis of platelet shape observed by transmission electron microscopy can provide accurate, quantitative data to study platelet activation in familial hypercholesterolemia and after administration of drugs or other therapeutic procedures. PMID:25877374

  14. Evolution of pattern complexity in the Cahn-Hilliard theory of phase separation

    SciTech Connect

    Gameiro, Marcio; Mischaikow, Konstantin; Wanner, Thomas . E-mail: wanner@math.gmu.edu

    2005-02-01

    Phase separation processes in compound materials can produce intriguing and complicated patterns. Yet, characterizing the geometry of these patterns quantitatively can be quite challenging. In this paper we propose the use of computational algebraic topology to obtain such a characterization. Our method is illustrated for the complex microstructures observed during spinodal decomposition and early coarsening in both the deterministic Cahn-Hilliard theory, as well as in the stochastic Cahn-Hilliard-Cook model. While both models produce microstructures that are qualitatively similar to the ones observed experimentally, our topological characterization points to significant differences. One particular aspect of our method is its ability to quantify boundary effects in finite size systems.

  15. The antimicrobial and antibiofilm activities of copper(II) complexes.

    PubMed

    Beeton, Michael L; Aldrich-Wright, Janice R; Bolhuis, Albert

    2014-11-01

    Biofilm-related bacterial infections pose a significant problem, as they are generally more tolerant to antibiotics and the immune system. Development of novel compounds with antibiofilm activity is therefore paramount. In this study we have analysed metal complexes of the general structure [M(IL)(AL)](2+) (where IL represents functionalised 1,10-phenanthrolines and AL represents 1S,2S- or 1R,2R-diaminocyclohexane) and [Cu(IL)3](2+). Antimicrobial activity was tested on a number of bacterial strains, showing that copper(II) compounds were active against both Gram-positive and Gram-negative bacteria, albeit that activity was generally higher for the former. The antibiofilm activity was then determined against a clinical isolate of meticillin-resistant Staphylococcus aureus (MRSA). Strikingly, the copper complexes tested showed significant activity against biofilms, and were better in the removal of biofilms than vancomycin, an antibiotic that is currently used in the treatment of MRSA infections. PMID:25124857

  16. Active control technique of fractional-order chaotic complex systems

    NASA Astrophysics Data System (ADS)

    Mahmoud, Gamal M.; Ahmed, Mansour E.; Abed-Elhameed, Tarek M.

    2016-06-01

    Several kinds of synchronization of fractional-order chaotic complex systems are challenging research topics of current interest since they appear in many applications in applied sciences. Our main goal in this paper is to introduce the definition of modified projective combination-combination synchronization (MPCCS) of some fractional-order chaotic complex systems. We show that our systems are chaotic by calculating their Lyapunov exponents. The fractional Lyapunov dimension of the chaotic solutions of these systems is computed. A scheme is introduced to calculate MPCCS of four different (or identical) chaotic complex systems using the active control technique. Special cases of this type, which are projective and anti C-C synchronization, are discussed. Some figures are plotted to show that MPCCS is achieved and its errors approach zero.

  17. Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes.

    PubMed

    Tanaka, Hiromasa; Nishibayashi, Yoshiaki; Yoshizawa, Kazunari

    2016-05-17

    Nitrogen fixation is an essential chemical process both biologically and industrially. Since the discovery of the first transition-metal-dinitrogen complex in 1965, a great deal of effort has been devoted to the development of artificial nitrogen fixation systems that work under mild reaction conditions. However, the transformation of chemically inert dinitrogen using homogeneous catalysts is still challenging because of the difficulty in breaking the strong triple bond of dinitrogen, and a very limited number of transition metal complexes have exhibited the catalytic activity for the direct transformation of dinitrogen into ammonia with low turnover numbers. To develop more effective nitrogen fixation systems, it is necessary to retrieve as much information as possible from the limited successful examples. Computational chemistry will provide valuable insights in the understanding of the reaction mechanisms involving unstable intermediates that are hard to isolate or characterize. We have been applying it for clarifying detailed mechanisms of dinitrogen activation and functionalization by transition metal complexes as well as for designing new catalysts for more effective nitrogen fixation. This Account summarizes recent progress in the elucidation of catalytic mechanisms of nitrogen fixation by using mono- and dinuclear molybdenum complexes, as well as cubane-type metal-sulfido clusters from a theoretical point of view. First, we briefly introduce experimental and theoretical contributions to the elucidation of the reaction mechanism of nitrogen fixation catalyzed by a mononuclear Mo-triamidoamine complex. Special attention is paid to our recent studies on Mo-catalyzed nitrogen fixation using dinitrogen-bridged dimolybdenum complexes. A possible catalytic mechanism is proposed based on theoretical and experimental investigations. The catalytic mechanism involves the formation of a monuclear molybdenum-nitride (Mo≡N) intermediate, as well as the regeneration of

  18. Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes

    NASA Astrophysics Data System (ADS)

    Cukras, Janusz; Sadlej, Joanna

    2008-06-01

    This Letter contains a study of the interaction energy in HArF⋯N 2 and HArF⋯P 2 complexes. Symmetry-adapted perturbation theory (SAPT) has been applied to analyze the electrostatic, induction, dispersion and exchange contributions to the total interaction energy. The interaction energy has also been obtained by supermolecular method at the MP2, MP4, CCSD, CCSD(T) levels. The interaction energy for the studied complexes results from a partial cancelation of large attractive electrostatic, induction, dispersion terms by a strong repulsive exchange contribution. The induction and dispersion effects proved to be crucial in establishing the preference for the colinear HArF⋯N 2 and HArF⋯P 2 structures and shift direction of νHAr stretching vibrations.

  19. Addressing health concerns of pregnant African American women using the lens of complexity theory.

    PubMed

    Sims, Traci

    2014-01-01

    Pregnant African American women are at higher risk for multiple complex health issues, including depression, than their European American counterparts (Canady, Bullen, Holzman, Broman, & Tian, 2008; Martin et al, 2011; Mathews & MacDorman, 2007; Orr, Blazer, & James, 2006; Segre, Losch, & O'Hara, 2006). Various strategies must be used to address depression through preventive care and promotion of access to appropriate mental health services. Nurses and other health care providers need to examine the relationships between the multifactorial problems to improve the health and well-being of pregnant African American women and their unborn children. This article presents a case study demonstrating the use of complexity science theory to understand and prevent poor health outcomes for pregnant African American women with depression and their unborn children. PMID:26050422

  20. Game Theory and Extremal Optimization for Community Detection in Complex Dynamic Networks

    PubMed Central

    Lung, Rodica Ioana; Chira, Camelia; Andreica, Anca

    2014-01-01

    The detection of evolving communities in dynamic complex networks is a challenging problem that recently received attention from the research community. Dynamics clearly add another complexity dimension to the difficult task of community detection. Methods should be able to detect changes in the network structure and produce a set of community structures corresponding to different timestamps and reflecting the evolution in time of network data. We propose a novel approach based on game theory elements and extremal optimization to address dynamic communities detection. Thus, the problem is formulated as a mathematical game in which nodes take the role of players that seek to choose a community that maximizes their profit viewed as a fitness function. Numerical results obtained for both synthetic and real-world networks illustrate the competitive performance of this game theoretical approach. PMID:24586257

  1. Shakespeare and other English Renaissance authors as characterized by Information Theory complexity quantifiers

    NASA Astrophysics Data System (ADS)

    Rosso, Osvaldo A.; Craig, Hugh; Moscato, Pablo

    2009-03-01

    We introduce novel Information Theory quantifiers in a computational linguistic study that involves a large corpus of English Renaissance literature. The 185 texts studied (136 plays and 49 poems in total), with first editions that range from 1580 to 1640, form a representative set of its period. Our data set includes 30 texts unquestionably attributed to Shakespeare; in addition we also included A Lover’s Complaint, a poem which generally appears in Shakespeare collected editions but whose authorship is currently in dispute. Our statistical complexity quantifiers combine the power of Jensen-Shannon’s divergence with the entropy variations as computed from a probability distribution function of the observed word use frequencies. Our results show, among other things, that for a given entropy poems display higher complexity than plays, that Shakespeare’s work falls into two distinct clusters in entropy, and that his work is remarkable for its homogeneity and for its closeness to overall means.

  2. Pavlov's conceptualization of the dynamic stereotype in the theory of higher nervous activity.

    PubMed

    Windholz, G

    1996-01-01

    David Joravsky (1989) alleges that Ivan Petrovich Pavlov's theory of higher nervous activity fails to explain "most forms of complex behavior" because establishment of second-order and third-order chains of conditional reflexes was not feasible. Yet, Pavlov (1951a), relying on experimental evidence, some of which is presented, held that the interaction of higher organisms with the external environment was based on the dynamic stereotype, that is, on the integration in the cortical hemispheres of neural traces coming from the external and internal environments. In its formulation in the 1930s, Pavlov's theory was dynamic, not associative. It postulated the synthesis of conditioned reflexes, not associative chains of conditioned reflexes. PMID:8644888

  3. Density functional theory assessment of the thermal degradation of diclofenac and its calcium and iron complexes

    NASA Astrophysics Data System (ADS)

    Kenawi, Ihsan M.

    2005-11-01

    Thermogravimetric analyses of diclofenac sodium, its Ca 2+ and Fe 3+ complexes manifested a decreasing trend of the onset decomposition temperatures at which these compounds dissociated. The drop in the temperature was metal ion dependent; the sodium salt showed thermal stability up to 245 °C, whereas the complexes started their degradation processes at temperatures starting from 90 °C. While G* for the cleavage of the acetate moiety in the sodium salt was 63.76 kJmol -1, it was 82.06 and 140.57 kJmol -1 in the cases of Ca 2+ and Fe 3+, respectively. However, their complete fusion took place at 187.65, 150.34 and 98.77 °C, respectively, displaying a reversed trend which is probably indicative of some catalytic part on the binding metals. Using the Gaussian 98 W package of programs, ab initio molecular orbital treatments were applied to diclofenac and its Ca 2+ and Fe 3+ metal complexes to study their electronic structure at the atomic level. The thermochemistry of diclofenac sodium was followed through the TG fragmentation peak temperatures using the density functional theory calculations at the 6-31G(d) basis set level. The FT-IR data were in good agreement with the theoretically calculated values. Single point calculations at the B3LYP/ 6-311G(d) level of theory, were used to compare the geometric features, energies and dipole moments of these compounds to detect the effect of the binding metal ions on the thermal dissociation of their diclofenac complexes.

  4. Towards a statistical mechanical theory of active fluids.

    PubMed

    Marini Bettolo Marconi, Umberto; Maggi, Claudio

    2015-12-01

    We present a stochastic description of a model of N mutually interacting active particles in the presence of external fields and characterize its steady state behavior in the absence of currents. To reproduce the effects of the experimentally observed persistence of the trajectories of the active particles we consider a Gaussian force having a non-vanishing correlation time τ, whose finiteness is a measure of the activity of the system. With these ingredients we show that it is possible to develop a statistical mechanical approach similar to the one employed in the study of equilibrium liquids and to obtain the explicit form of the many-particle distribution function by means of the multidimensional unified colored noise approximation. Such a distribution plays a role analogous to the Gibbs distribution in equilibrium statistical mechanics and provides complete information about the microscopic state of the system. From here we develop a method to determine the one- and two-particle distribution functions in the spirit of the Born-Green-Yvon (BGY) equations of equilibrium statistical mechanics. The resulting equations which contain extra-correlations induced by the activity allow us to determine the stationary density profiles in the presence of external fields, the pair correlations and the pressure of active fluids. In the low density regime we obtained the effective pair potential ϕ(r) acting between two isolated particles separated by a distance, r, showing the existence of an effective attraction between them induced by activity. Based on these results, in the second half of the paper we propose a mean field theory as an approach simpler than the BGY hierarchy and use it to derive a van der Waals expression of the equation of state. PMID:26387914

  5. Uranium (VI)Bis(imido) chalcogenate complexes:synthesis and density functional theory analysis

    SciTech Connect

    Spencer, Liam P; Batista, Enrique R; Boncella, James M; Yang, Ping; Scott, Brian L

    2009-01-01

    Bis(imido) uranium(VI) trans- and cis-dichalcogenate complexes with the general formula U(NtBu)2(EAr)2(OPPh3)2 (EAr = O-2-tBuC6H4, SPh, SePh, TePh) and U(NtBu)2(EAr)2(R2bpy) (EAr = SPh, SePh, TePh) (R2bpy = 4,4'-disubstituted-2,2'-bipyridyl, R = Me, tBu) have been prepared. This family of complexes includes the first reported monodentate selenolate and tellurolate complexes of uranium(VI). Density functional theory calculations show that covalent interactions in the U-E bond increase in the trans-dichalcogenate series U(NtBu)2(EAr)2(OPPh3)2 as the size of the chalcogenate donor increases and that both 5f and 6d orbital participation is important in the M-E bonds of U-S, U-Se, and U-Te complexes.

  6. Geometric complexity is increased in in vitro activated platelets.

    PubMed

    Bianciardi, Giorgio

    2015-06-01

    This article investigates the use of computerized fractal analysis for objective characterization of the complexity of platelets in vitro stimulated by low level thrombin (0.02 U mL(-1) ), collected from healthy individuals and observed by means of transmission electron microscopy. Platelet boundaries were extracted by means of automatically image analysis. Local fractal dimension was evaluated by the box-counting technique (measure of geometric complexity of the platelet outline). The results showed that the platelet boundary is fractal when observed by transmission electron microscopy and that, after an in vitro platelet activation test, the shape of platelets present increased geometric complexity in comparison to the no stimulated platelets (P < 0.001), with 100% correct classification. Computerized fractal analysis of platelet shape by transmission electron microscopy can provide accurate, quantitative, data to study platelet activation. The results may play important roles in the evaluation of the platelets status in pathological conditions, like as atherosclerosis and diabetes mellitus, where in in vivo activated platelets have been described. PMID:25808036

  7. Distinct TFIID complexes mediate the effect of different transcriptional activators.

    PubMed Central

    Brou, C; Chaudhary, S; Davidson, I; Lutz, Y; Wu, J; Egly, J M; Tora, L; Chambon, P

    1993-01-01

    Multiple chromatographically separable complexes containing the TATA binding protein (TBP), which exhibit different functional properties, exist in HeLa cells. At least three distinct subpopulations of such complexes can be functionally defined as TFIID since they function with RNA polymerase II. Using a partially reconstituted HeLa cell in vitro transcription system and immunoprecipitation with a monoclonal antibody directed against TBP, we show that stimulation of transcription by the chimeric activators GAL-VP16, GAL-TEF-1 and GAL-ER(EF) requires the presence of factors which are tightly associated with these TFIID complexes. Moreover, the activity of GAL-TEF-1 appears to be mediated by at least two chromatographically distinct populations of TFIID. The factor(s) associated with one of these populations is also required for the activity of GAL-ER (EF) and GAL-VP16, while the factor(s) associated with the other population functions selectively with GAL-TEF-1. These two TFIID populations are composed of both common and unique TBP associated factors (TAFs). Images PMID:8440239

  8. The Conceptual Mechanism for Viable Organizational Learning Based on Complex System Theory and the Viable System Model

    ERIC Educational Resources Information Center

    Sung, Dia; You, Yeongmahn; Song, Ji Hoon

    2008-01-01

    The purpose of this research is to explore the possibility of viable learning organizations based on identifying viable organizational learning mechanisms. Two theoretical foundations, complex system theory and viable system theory, have been integrated to provide the rationale for building the sustainable organizational learning mechanism. The…

  9. From Activity to Learning: Using Cultural Historical Activity Theory to Model School Library Programmes and Practices

    ERIC Educational Resources Information Center

    Meyers, Eric M.

    2007-01-01

    Introduction: changes in educational policy and practice demand that we examine school library programmes from a new perspective. As a model that takes a developmental view of minds in context, Cultural Historical Activity Theory is particularly well suited to the study of school libraries and the learning that occurs therein. This paper focuses…

  10. Time-dependent-S-matrix Hartree-Fock theory of complex reactions

    NASA Astrophysics Data System (ADS)

    Griffin, James J.; Lichtner, Peter C.; Dworzecka, Maria

    1980-04-01

    Some limitations of the conventional time-dependent Hartree-Fock method for describing complex reactions are noted, and one particular ubiquitous defect is discussed in detail: the post-breakup spurious cross channel correlations which arise whenever several asymptotic reaction channels must be simultaneously described by a single determinant. A reformulated time-dependent-S-matrix Hartree-Fock theory is proposed, which obviates this difficulty. Axiomatic requirements minimal to assure that the time-dependent-S-matrix Hartree-Fock theory represents an unambiguous and physically interpretable asymptotic reaction theory are utilized to prescribe conditions upon the definition of acceptable asymptotic channels. That definition, in turn, defines the physical range of the time-dependent-S-matrix Hartree-Fock theory to encompass the collisions of mathematically well-defined "time-dependent Hartree-Fock droplets." The physical properties of these objects then circumscribe the content of the Hartree-Fock single determinantal description. If their periodic vibrations occur for continuous ranges of energy then the resulting "classical" time-dependent Hartree-Fock droplets are seen to be intrinsically dissipative, and the single determinantal description of their collisions reduces to a "trajectory" theory which can describe the masses and relative motions of the fragments but can provide no information about specific asymptotic excited states beyond their constants of motion, or the average properties of the limit, if it exists, of their equilibrization process. If, on the other hand, the periodic vibrations of the time-dependent Hartree-Fock droplets are discrete in energy, then the time-dependent-S-matrix Hartree-Fock theory can describe asymptotically the time-average properties of the whole spectrum of such periodic vibrations of these "quantized" time-dependent Hartree-Fock droplets which are asymptotically stationary on a time-averaged basis. Such quantized time

  11. An Empirical Development of Critical Value Factors (CVF) of Online Learning Activities: An Application of Activity Theory and Cognitive Value Theory

    ERIC Educational Resources Information Center

    Levy, Yair

    2008-01-01

    According to activity theory, activities are at the center of human behavior. Extensive attention has been given in literature to the success and effectiveness of online learning programs. Value theory suggests that human perceived value is a critical construct in investigating what is important to individuals. However, very limited attention has…

  12. The first naphthosemiquinone complex of K+ with vitamin K3 analog: Experiment and density functional theory

    NASA Astrophysics Data System (ADS)

    Kathawate, Laxmi; Gejji, Shridhar P.; Yeole, Sachin D.; Verma, Prakash L.; Puranik, Vedavati G.; Salunke-Gawali, Sunita

    2015-05-01

    Synthesis and characterization of potassium complex of 2-hydroxy-3-methyl-1,4-naphthoquinone (phthiocol), the vitamin K3 analog, has been carried out using FT-IR, UV-Vis, 1H and 13C NMR, EPR, cyclic voltammetry and single crystal X-ray diffraction experiments combined with the density functional theory. It has been observed that naphthosemiquinone binds to two K+ ions extending the polymeric chain through bridging oxygens O(2) and O(3). The crystal network possesses hydrogen bonding interactions from coordinated water molecules showing water channels along the c-axis. 13C NMR spectra revealed that the complexation of phthiocol with potassium ion engenders deshielding of C(2) signals, which appear at δ = ∼14.6 ppm whereas those of C(3) exhibit up-field signals near δ ∼ 6.9 ppm. These inferences are supported by the M06-2x based density functional theory. Electrochemical experiments further suggest that reduction of naphthosemiquinone results in only a cathodic peak from catechol. A triplet state arising from interactions between neighboring phthiocol anion lead to a half field signal at g = 4.1 in the polycrystalline X-band EPR spectra at 133 K.

  13. Role of colored noise in active dynamical theories

    NASA Astrophysics Data System (ADS)

    Kachan, Devin; Levine, Alex

    2015-03-01

    The noise driving many dynamical systems is temporally correlated, or colored. Biological motor proteins, for example, generate processive stresses in biopolymer networks, and it would be incorrect to model this forcing as uncorrelated white noise. To gain insight into the role of the noise spectrum, we study a phi⌃4 theory in the presence of active colored noise with renormalization group techniques. Using a frequency shell integration scheme, we perform an epsilon expansion around d =8 for power law noise of the form 1/f⌃2 and find frequency and wavevector dependent corrections to the transport coefficients. The power law noise assumption is, of course, an approximation: all physical processes possess a small frequency cutoff. We study the effect of this cutoff and find a change in scaling behavior as the system transitions from a power law divergent regime to one dominated by white noise.

  14. Theory of activated transport in bilayer quantum Hall systems.

    PubMed

    Roostaei, B; Mullen, K J; Fertig, H A; Simon, S H

    2008-07-25

    We analyze the transport properties of bilayer quantum Hall systems at total filling factor nu=1 in drag geometries as a function of interlayer bias, in the limit where the disorder is sufficiently strong to unbind meron-antimeron pairs, the charged topological defects of the system. We compute the typical energy barrier for these objects to cross incompressible regions within the disordered system using a Hartree-Fock approach, and show how this leads to multiple activation energies when the system is biased. We then demonstrate using a bosonic Chern-Simons theory that in drag geometries current in a single layer directly leads to forces on only two of the four types of merons, inducing dissipation only in the drive layer. Dissipation in the drag layer results from interactions among the merons, resulting in very different temperature dependences for the drag and drive layers, in qualitative agreement with experiment. PMID:18764355

  15. Theory of Activated Transport in Bilayer Quantum Hall Systems

    NASA Astrophysics Data System (ADS)

    Roostaei, Bahman; Fertig, Herbert; Mullen, Kieran; Simon, Steven

    2008-03-01

    We analyze the transport properties of bilayer quantum Hall systems at total filling factor ν= 1 in drag geometries as a function of interlayer bias, in the limit where the disorder is sufficiently strong to unbind meron-antimeron pairs, the charged topological defects of the system. We compute the typical energy barrier for these objects to cross incompressible regions within the disordered system using a Hartree-Fock approach, and show how this leads to multiple activation energies when the system is biased. We then demonstrate using a bosonic Chern- Simons theory that in drag geometries, current in a single layer directly leads to forces on only two of the four types of merons, inducing dissipation only in the drive layer. Dissipation in the drag layer results from interactions among the merons, resulting in very different temperature dependences for the drag and drive layers, in qualitative agreement with experiment. We conclude with predictions for future experiments.

  16. Theory of Activated Transport in Bilayer Quantum Hall Systems

    NASA Astrophysics Data System (ADS)

    Roostaei, B.; Mullen, K. J.; Fertig, H. A.; Simon, S. H.

    2008-07-01

    We analyze the transport properties of bilayer quantum Hall systems at total filling factor ν=1 in drag geometries as a function of interlayer bias, in the limit where the disorder is sufficiently strong to unbind meron-antimeron pairs, the charged topological defects of the system. We compute the typical energy barrier for these objects to cross incompressible regions within the disordered system using a Hartree-Fock approach, and show how this leads to multiple activation energies when the system is biased. We then demonstrate using a bosonic Chern-Simons theory that in drag geometries current in a single layer directly leads to forces on only two of the four types of merons, inducing dissipation only in the drive layer. Dissipation in the drag layer results from interactions among the merons, resulting in very different temperature dependences for the drag and drive layers, in qualitative agreement with experiment.

  17. Self-consistent field theory of polymer-ionic molecule complexation.

    PubMed

    Nakamura, Issei; Shi, An-Chang

    2010-05-21

    A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C(i) ((a))(kDelta)(=0 or 1), whose average determines the number of adsorbed molecules, n(BI). Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for n(BI) are obtained, depending on the equilibrium constant of single-ion binding. Spinodal lines calculated from the mean-field free energy exhibit closed-loop regions where the homogeneous phase becomes unstable. This phase instability is driven by the excluded-volume interaction due to the single occupancy of ion-binding sites on the polymers. Moreover, sol-gel transitions are examined using a critical degree of conversion. A gel phase is induced when the concentration of adsorbates is increased. At a higher concentration of the adsorbates, however, a re-entrance from a gel phase into a sol phase arises from the correlation between unoccupied and occupied ion-binding sites. The theory is applied to a model system, poly(vinyl alcohol) and borate ion in aqueous solution with sodium chloride. Good agreement between theory and experiment is obtained. PMID:20499947

  18. Activities of topoisomerase I in its complex with SRSF1.

    PubMed

    Ishikawa, Takao; Krzysko, Krystiana A; Kowalska-Loth, Barbara; Skrajna, Aleksandra M; Czubaty, Alicja; Girstun, Agnieszka; Cieplak, Maja K; Lesyng, Bogdan; Staron, Krzysztof

    2012-02-28

    Human DNA topoisomerase I (topo I) catalyzes DNA relaxation and phosphorylates SRSF1. Whereas the structure of topo I complexed with DNA has been resolved, the structure of topo I in the complex with SRSF1 and structural determinants of topo I activities in this complex are not known. The main obstacle to resolving the structure is a contribution of unfolded domains of topo I and SRSF1 in formation of the complex. To overcome this difficulty, we employed a three-step strategy: identifying the interaction regions, modeling the complex, and validating the model with biochemical methods. The binding sites in both topo I and SRSF1 are localized in the structured regions as well as in the unfolded domains. One observes cooperation between the binding sites in topo I but not in SRSF1. Our results indicate two features of the unfolded RS domain of SRSF1 containing phosphorylated residues that are critical for the kinase activity of topo I: its spatial arrangement relative to topo I and the organization of its sequence. The efficiency of phosphorylation of SRSF1 depends on the length and flexibility of the spacer between the two RRM domains that uniquely determine an arrangement of the RS domain relative to topo I. The spacer also influences inhibition of DNA nicking, a prerequisite for DNA relaxation. To be phosphorylated, the RS domain has to include a short sequence recognized by topo I. A lack of this sequence in the mutants of SRSF1 or its spatial inaccessibility in SRSF9 makes them inadequate as topo I/kinase substrates. PMID:22320324

  19. The applications of Complexity Theory and Tsallis Non-extensive Statistics at Solar Plasma Dynamics

    NASA Astrophysics Data System (ADS)

    Pavlos, George

    2015-04-01

    As the solar plasma lives far from equilibrium it is an excellent laboratory for testing complexity theory and non-equilibrium statistical mechanics. In this study, we present the highlights of complexity theory and Tsallis non extensive statistical mechanics as concerns their applications at solar plasma dynamics, especially at sunspot, solar flare and solar wind phenomena. Generally, when a physical system is driven far from equilibrium states some novel characteristics can be observed related to the nonlinear character of dynamics. Generally, the nonlinearity in space plasma dynamics can generate intermittent turbulence with the typical characteristics of the anomalous diffusion process and strange topologies of stochastic space plasma fields (velocity and magnetic fields) caused by the strange dynamics and strange kinetics (Zaslavsky, 2002). In addition, according to Zelenyi and Milovanov (2004) the complex character of the space plasma system includes the existence of non-equilibrium (quasi)-stationary states (NESS) having the topology of a percolating fractal set. The stabilization of a system near the NESS is perceived as a transition into a turbulent state determined by self-organization processes. The long-range correlation effects manifest themselves as a strange non-Gaussian behavior of kinetic processes near the NESS plasma state. The complex character of space plasma can also be described by the non-extensive statistical thermodynamics pioneered by Tsallis, which offers a consistent and effective theoretical framework, based on a generalization of Boltzmann - Gibbs (BG) entropy, to describe far from equilibrium nonlinear complex dynamics (Tsallis, 2009). In a series of recent papers, the hypothesis of Tsallis non-extensive statistics in magnetosphere, sunspot dynamics, solar flares, solar wind and space plasma in general, was tested and verified (Karakatsanis et al., 2013; Pavlos et al., 2014; 2015). Our study includes the analysis of solar plasma time

  20. Regulating with imagery and the complexity of basic emotions. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

    NASA Astrophysics Data System (ADS)

    Meyer, Marcel; Kuchinke, Lars

    2015-06-01

    Literature, music and the arts have long attested to the complexity of human emotions. Hitherto, psychological and biological theories of emotions have largely neglected this rich heritage. In their review Koelsch and colleagues [1] have embarked upon the pioneering endeavour of integrating the diverse perspectives in emotion research. Noting that the focus of prior neurobiological theories relies mainly on animal studies, the authors sought to complement this body of research with a model of complex ("moral") emotions in humans (henceforth: complex emotions). According to this novel framework, there are four main interacting affective centres in the brain. Each centre is associated with a dominant affective function, such as ascending activation (brainstem), pain/pleasure (diencephalon), attachment-related affects (hippocampus) or moral emotions and unconscious cognitive appraisal (orbitofrontal cortex). Furthermore, language is ascribed a key role in (a) the communication of subjective feeling (reconfiguration) and (b) in the conscious regulation of emotions (by means of logic and rational thought).

  1. Influence of Humic Acid Complexation with Metal Ions on Extracellular Electron Transfer Activity.

    PubMed

    Zhou, Shungui; Chen, Shanshan; Yuan, Yong; Lu, Qin

    2015-01-01

    Humic acids (HAs) can act as electron shuttles and mediate biogeochemical cycles, thereby influencing the transformation of nutrients and environmental pollutants. HAs commonly complex with metals in the environment, but few studies have focused on how these metals affect the roles of HAs in extracellular electron transfer (EET). In this study, HA-metal (HA-M) complexes (HA-Fe, HA-Cu, and HA-Al) were prepared and characterized. The electron shuttle capacities of HA-M complexes were experimentally evaluated through microbial Fe(III) reduction, biocurrent generation, and microbial azoreduction. The results show that the electron shuttle capacities of HAs were enhanced after complexation with Fe but were weakened when using Cu or Al. Density functional theory calculations were performed to explore the structural geometry of the HA-M complexes and revealed the best binding sites of the HAs to metals and the varied charge transfer rate constants (k). The EET activity of the HA-M complexes were in the order HA-Fe > HA-Cu > HA-Al. These findings have important implications for biogeochemical redox processes given the ubiquitous nature of both HAs and various metals in the environment. PMID:26593782

  2. Influence of Humic Acid Complexation with Metal Ions on Extracellular Electron Transfer Activity

    PubMed Central

    Zhou, Shungui; Chen, Shanshan; Yuan, Yong; Lu, Qin

    2015-01-01

    Humic acids (HAs) can act as electron shuttles and mediate biogeochemical cycles, thereby influencing the transformation of nutrients and environmental pollutants. HAs commonly complex with metals in the environment, but few studies have focused on how these metals affect the roles of HAs in extracellular electron transfer (EET). In this study, HA-metal (HA-M) complexes (HA-Fe, HA-Cu, and HA-Al) were prepared and characterized. The electron shuttle capacities of HA-M complexes were experimentally evaluated through microbial Fe(III) reduction, biocurrent generation, and microbial azoreduction. The results show that the electron shuttle capacities of HAs were enhanced after complexation with Fe but were weakened when using Cu or Al. Density functional theory calculations were performed to explore the structural geometry of the HA-M complexes and revealed the best binding sites of the HAs to metals and the varied charge transfer rate constants (k). The EET activity of the HA-M complexes were in the order HA-Fe > HA-Cu > HA-Al. These findings have important implications for biogeochemical redox processes given the ubiquitous nature of both HAs and various metals in the environment. PMID:26593782

  3. Influence of Humic Acid Complexation with Metal Ions on Extracellular Electron Transfer Activity

    NASA Astrophysics Data System (ADS)

    Zhou, Shungui; Chen, Shanshan; Yuan, Yong; Lu, Qin

    2015-11-01

    Humic acids (HAs) can act as electron shuttles and mediate biogeochemical cycles, thereby influencing the transformation of nutrients and environmental pollutants. HAs commonly complex with metals in the environment, but few studies have focused on how these metals affect the roles of HAs in extracellular electron transfer (EET). In this study, HA-metal (HA-M) complexes (HA-Fe, HA-Cu, and HA-Al) were prepared and characterized. The electron shuttle capacities of HA-M complexes were experimentally evaluated through microbial Fe(III) reduction, biocurrent generation, and microbial azoreduction. The results show that the electron shuttle capacities of HAs were enhanced after complexation with Fe but were weakened when using Cu or Al. Density functional theory calculations were performed to explore the structural geometry of the HA-M complexes and revealed the best binding sites of the HAs to metals and the varied charge transfer rate constants (k). The EET activity of the HA-M complexes were in the order HA-Fe > HA-Cu > HA-Al. These findings have important implications for biogeochemical redox processes given the ubiquitous nature of both HAs and various metals in the environment.

  4. Metal-dithiocarbamate complexes: chemistry and biological activity.

    PubMed

    Hogarth, Graeme

    2012-10-01

    Dithiocarbamates are highly versatile mono-anionic chelating ligands which form stable complexes with all the transition elements and also the majority of main group, lanthanide and actinide elements. They are easily prepared from primary or secondary amines and depending upon the nature of the cation can show good solubility in water or organic solvents. They are related to the thiuram disulfides by a one-electron redox process (followed by dimerisation via sulfur-sulfur bond formation) which is easily carried out upon addition of iodide or ferric salts. Dithiocarbamates are lipophilic and generally bind to metals in a symmetrical chelate fashion but examples of other coordination modes are known, the monodentate and anisobidentate modes being most prevalent. They are planar sterically non-demanding ligands which can be electronically tuned by judicious choice of substituents. They stabilize metals in a wide range of oxidation states, this being attributed to the existence of soft dithiocarbamate and hard thioureide resonance forms, the latter formally resulting from delocalization of the nitrogen lone pair onto the sulfurs, and consequently their complexes tend to have a rich electrochemistry. Tetraethyl thiuramdisulfide (disulfiram or antabuse) has been used as a drug since the 1950s but it is only recently that dithiocarbamate complexes have been explored within the medicinal domain. Over the past two decades anti-cancer activity has been noted for gold and copper complexes, technetium and copper complexes have been used in PET-imaging, dithiocarbamates have been used to treat acute cadmium poisoning and copper complexes also have been investigated as SOD inhibitors. PMID:22931592

  5. Dioxygen activation in the Cu-amyloid β complex.

    PubMed

    Mirats, Andrea; Alí-Torres, Jorge; Rodríguez-Santiago, Luis; Sodupe, Mariona; La Penna, Giovanni

    2015-11-01

    We investigate, by means of density-functional theory, the binding of dioxygen to Cu(I)-amyloid β (Aβ), one of the first steps in the oxidation of ascorbate by dioxygen. Cu, Aβ, ascorbate and dioxygen are all present in the synapse during neurodegeneration, when the above species can trigger an irreversible oxidative stress inducing the eventual death of neurons. The binding of dioxygen to Cu(I) is possible and its role in dioxygen activation of Cu ligands and of residues in the first coordination sphere is described in atomic detail. Dioxygen is activated when a micro-environment suitable for a square-planar Cu(2+) coordination is present and a negatively charged group like Asp 1 carboxylate takes part in the Cu coordination anti to O2. PMID:26427541

  6. Emotion at Work: A Contribution to Third-Generation Cultural-Historical Activity Theory

    ERIC Educational Resources Information Center

    Roth, Wolff-Michael

    2007-01-01

    Second-generation cultural-historical activity theory, which drew its inspiration from Leont'ev's work, constituted an advance over Vygotsky's first-generation theory by explicitly articulating the dialectical relation between individual and collective. As part of an effort to develop third-generation-historical activity theory, I propose in this…

  7. Active-Passive-Intuitive Learning Theory: A Unified Theory of Learning and Development

    ERIC Educational Resources Information Center

    Sigette, Tyson

    2009-01-01

    This paper addresses many theories of learning and human development which are very similar with regards as to how they suggest learning occurs. The differences in most of the theories exist in how they treat the development of the learner compared to methods of teaching. Most of the major learning theories taught to educators today are based on…

  8. A Case Study Analysis of a Constructionist Knowledge Building Community with Activity Theory

    ERIC Educational Resources Information Center

    Ang, Chee S.; Zaphiris, Panayiotis; Wilson, Stephanie

    2011-01-01

    This article investigates how activity theory can help research a constructionist community. We present a constructionist activity model called CONstructionism Through ACtivity Theory (CONTACT) model and explain how it can be used to analyse the constructionist activity in knowledge building communities. We then illustrate the model through its…

  9. Metric Projective Geometry, BGG Detour Complexes and Partially Massless Gauge Theories

    NASA Astrophysics Data System (ADS)

    Gover, A. Rod; Latini, Emanuele; Waldron, Andrew

    2015-11-01

    A projective geometry is an equivalence class of torsion free connections sharing the same unparametrised geodesics; this is a basic structure for understanding physical systems. Metric projective geometry is concerned with the interaction of projective and pseudo-Riemannian geometry. We show that the BGG machinery of projective geometry combines with structures known as Yang-Mills detour complexes to produce a general tool for generating invariant pseudo-Riemannian gauge theories. This produces (detour) complexes of differential operators corresponding to gauge invariances and dynamics. We show, as an application, that curved versions of these sequences give geometric characterizations of the obstructions to propagation of higher spins in Einstein spaces. Further, we show that projective BGG detour complexes generate both gauge invariances and gauge invariant constraint systems for partially massless models: the input for this machinery is a projectively invariant gauge operator corresponding to the first operator of a certain BGG sequence. We also connect this technology to the log-radial reduction method and extend the latter to Einstein backgrounds.

  10. Density functional theory study on the ionization potentials and electron affinities of thymine-formamide complexes

    NASA Astrophysics Data System (ADS)

    Sun, Haitao; Tang, Ke; Li, Yanmin; Su, Chunfang; Zhou, Zhengyu; Wang, Zhizhong

    The effect of hydrogen bond interactions on ionization potentials (IPs) and electron affinities (EAs) of thymine-formamide complexes (T-F) have been investigated employing the density functional theory B3LYP at 6-311++G(d, p) basis set level. All complexes experience a geometrical change on either electron detachment or attachment, and the change might be facilitated or hindered according to the strength of the hydrogen-bonding interaction involved. The strength of hydrogen bonds presents an opposite changing trend on the two processes. A more important role that H-bonding interaction plays in the process of electron attachment than in the process of electron detachment can be seen by a comparison of the IPs and EAs of complexes with that of isolated thymine. Futhermore, the EAs of isolated thymine are in good agreement with the experimental values (AEA is 0.79 eV, VEA is -0.29 eV [Wetmore et al., Chem Phys Lett 2000, 322, 129]). The calculated total NPA charge distributions reveal that nearly all the negative charges locate on thymine monomer in the anions and even in the cationic states, there are a few negative charges on thymine monomer. An analysis of dissociation energies predicts the processes T-F+→ T++ F and T-F- → T- + F to be the most energetically favorable for T-F+ and T-F-, respectively. Content:text/plain; charset="UTF-8"

  11. Hermitian versus holomorphic complex and quaternionic generalized supersymmetries of the M-theory. A classification

    NASA Astrophysics Data System (ADS)

    Toppan, Francesco

    2004-09-01

    Relying upon the division-algebra classification of Clifford algebras and spinors, a classification of generalized supersymmetries (or, with a slight abuse of language,``generalized supertranslations") is provided. In each given space-time the maximal, saturated, generalized supersymmetry, compatible with the division-algebra constraint that can be consistently imposed on spinors and on superalgebra generators, is furnished. Constraining the superalgebra generators in both the complex and the quaternionic cases gives rise to the two classes of constrained hermitean and holomorphic generalized supersymmetries. In the complex case these two classes of generalized supersymmetries can be regarded as complementary. The quaternionic holomorphic supersymmetry only exists in certain space-time dimensions and can admit at most a single bosonic scalar central charge. The results here presented pave the way for a better understanding of the various M algebra-type of structures which can be introduced in different space-time signatures and in association with different division algebras, as well as their mutual relations. In a previous work, e.g., the introduction of a complex holomorphic generalized supersymmetry was shown to be necessary in order to perform the analytic continuation of the standard M-theory to the 11-dimensional euclidean space. As an application of the present results, it is shown that the above algebra also admits a 12-dimensional, euclidean, F-algebra presentation.

  12. Identifying driving gene clusters in complex diseases through critical transition theory

    NASA Astrophysics Data System (ADS)

    Wolanyk, Nathaniel; Wang, Xujing; Hessner, Martin; Gao, Shouguo; Chen, Ye; Jia, Shuang

    A novel approach of looking at the human body using critical transition theory has yielded positive results: clusters of genes that act in tandem to drive complex disease progression. This cluster of genes can be thought of as the first part of a large genetic force that pushes the body from a curable, but sick, point to an incurable diseased point through a catastrophic bifurcation. The data analyzed is time course microarray blood assay data of 7 high risk individuals for Type 1 Diabetes who progressed into a clinical onset, with an additional larger study requested to be presented at the conference. The normalized data is 25,000 genes strong, which were narrowed down based on statistical metrics, and finally a machine learning algorithm using critical transition metrics found the driving network. This approach was created to be repeatable across multiple complex diseases with only progression time course data needed so that it would be applicable to identifying when an individual is at risk of developing a complex disease. Thusly, preventative measures can be enacted, and in the longer term, offers a possible solution to prevent all Type 1 Diabetes.

  13. Microfluidic rheology of active particle suspensions: Kinetic theory.

    PubMed

    Alonso-Matilla, Roberto; Ezhilan, Barath; Saintillan, David

    2016-07-01

    We analyze the effective rheology of a dilute suspension of self-propelled slender particles confined between two infinite parallel plates and subject to a pressure-driven flow. We use a continuum kinetic model to describe the configuration of the particles in the system, in which the disturbance flows induced by the swimmers are taken into account, and use it to calculate estimates of the suspension viscosity for a range of channel widths and flow strengths typical of microfluidic experiments. Our results are in agreement with previous bulk models, and in particular, demonstrate that the effect of activity is strongest at low flow rates, where pushers tend to decrease the suspension viscosity whereas pullers enhance it. In stronger flows, dissipative stresses overcome the effects of activity leading to increased viscosities followed by shear-thinning. The effects of confinement and number density are also analyzed, and our results confirm the apparent transition to superfluidity reported in recent experiments on pusher suspensions at intermediate densities. We also derive an approximate analytical expression for the effective viscosity in the limit of weak flows and wide channels, and demonstrate good agreement between theory and numerical calculations. PMID:27375827

  14. Dynamical theory of active cellular response to external stress.

    PubMed

    De, Rumi; Safran, Samuel A

    2008-09-01

    We present a comprehensive, theoretical treatment of the orientational response to external stress of active, contractile cells embedded in a gel-like elastic medium. The theory includes both the forces that arise from the deformation of the matrix as well as forces due to the internal regulation of the stress fibers and focal adhesions of the cell. We calculate the time-dependent response of both the magnitude and the direction of the elastic dipole that characterizes the active forces exerted by the cell, for various situations. For static or quasistatic external stress, cells orient parallel to the stress while for high frequency dynamic external stress, cells orient nearly perpendicular. Both numerical and analytical calculations of these effects are presented. In addition we predict the relaxation time for the cellular response for both slowly and rapidly varying external stresses; several characteristic scaling regimes for the relaxation time as a function of applied frequency are predicted. We also treat the case of cells for which the regulation of the stress fibers and focal adhesions is controlled by strain (instead of stress) and show that the predicted dependence of the cellular orientation on the Poisson ratio of the matrix can differentiate strain vs stress regulation of cellular response. PMID:18851081

  15. Dynamical theory of active cellular response to external stress

    NASA Astrophysics Data System (ADS)

    de, Rumi; Safran, Samuel A.

    2008-09-01

    We present a comprehensive, theoretical treatment of the orientational response to external stress of active, contractile cells embedded in a gel-like elastic medium. The theory includes both the forces that arise from the deformation of the matrix as well as forces due to the internal regulation of the stress fibers and focal adhesions of the cell. We calculate the time-dependent response of both the magnitude and the direction of the elastic dipole that characterizes the active forces exerted by the cell, for various situations. For static or quasistatic external stress, cells orient parallel to the stress while for high frequency dynamic external stress, cells orient nearly perpendicular. Both numerical and analytical calculations of these effects are presented. In addition we predict the relaxation time for the cellular response for both slowly and rapidly varying external stresses; several characteristic scaling regimes for the relaxation time as a function of applied frequency are predicted. We also treat the case of cells for which the regulation of the stress fibers and focal adhesions is controlled by strain (instead of stress) and show that the predicted dependence of the cellular orientation on the Poisson ratio of the matrix can differentiate strain vs stress regulation of cellular response.

  16. Integrin activation and focal complex formation in cardiac hypertrophy

    NASA Technical Reports Server (NTRS)

    Laser, M.; Willey, C. D.; Jiang, W.; Cooper, G. 4th; Menick, D. R.; Zile, M. R.; Kuppuswamy, D.

    2000-01-01

    Cardiac hypertrophy is characterized by both remodeling of the extracellular matrix (ECM) and hypertrophic growth of the cardiocytes. Here we show increased expression and cytoskeletal association of the ECM proteins fibronectin and vitronectin in pressure-overloaded feline myocardium. These changes are accompanied by cytoskeletal binding and phosphorylation of focal adhesion kinase (FAK) at Tyr-397 and Tyr-925, c-Src at Tyr-416, recruitment of the adapter proteins p130(Cas), Shc, and Nck, and activation of the extracellular-regulated kinases ERK1/2. A synthetic peptide containing the Arg-Gly-Asp (RGD) motif of fibronectin and vitronectin was used to stimulate adult feline cardiomyocytes cultured on laminin or within a type-I collagen matrix. Whereas cardiocytes under both conditions showed RGD-stimulated ERK1/2 activation, only collagen-embedded cells exhibited cytoskeletal assembly of FAK, c-Src, Nck, and Shc. In RGD-stimulated collagen-embedded cells, FAK was phosphorylated only at Tyr-397 and c-Src association occurred without Tyr-416 phosphorylation and p130(Cas) association. Therefore, c-Src activation is not required for its cytoskeletal binding but may be important for additional phosphorylation of FAK. Overall, our study suggests that multiple signaling pathways originate in pressure-overloaded heart following integrin engagement with ECM proteins, including focal complex formation and ERK1/2 activation, and many of these pathways can be activated in cardiomyocytes via RGD-stimulated integrin activation.

  17. An Automated Method to Identify Mesoscale Convective Complexes (MCCs) Implementing Graph Theory

    NASA Astrophysics Data System (ADS)

    Whitehall, K. D.; Mattmann, C. A.; Jenkins, G. S.; Waliser, D. E.; Rwebangira, R.; Demoz, B.; Kim, J.; Goodale, C. E.; Hart, A. F.; Ramirez, P.; Joyce, M. J.; Loikith, P.; Lee, H.; Khudikyan, S.; Boustani, M.; Goodman, A.; Zimdars, P. A.; Whittell, J.

    2013-12-01

    Mesoscale convective complexes (MCCs) are convectively-driven weather systems with a duration of ~10 - 12 hours and contributions of large amounts to the rainfall daily and monthly totals. More than 400 MCCs occur annually over various locations on the globe. In West Africa, ~170 MCCs occur annually during the 180 days representing the summer months (June - November), and contribute ~75% of the annual wet season rainfall. The main objective of this study is to improve automatic identification of MCC over West Africa. The spatial expanse of MCCs and the spatio-temporal variability in their convective characteristics make them difficult to characterize even in dense networks of radars and/or surface gauges. As such there exist criteria for identifying MCCs with satellite images - mostly using infrared (IR) data. Automated MCC identification methods are based on forward and/or backward in time spatial-temporal analysis of the IR satellite data and characteristically incorporate a manual component as these algorithms routinely falter with merging and splitting cloud systems between satellite images. However, these algorithms are not readily transferable to voluminous data or other satellite-derived datasets (e.g. TRMM), thus hindering comprehensive studies of these features both at weather and climate timescales. Recognizing the existing limitations of automated methods, this study explores the applicability of graph theory to creating a fully automated method for deriving a West African MCC dataset from hourly infrared satellite images between 2001- 2012. Graph theory, though not heavily implemented in the atmospheric sciences, has been used for the predicting (nowcasting) of thunderstorms from radar and satellite data by considering the relationship between atmospheric variables at a given time, or for the spatial-temporal analysis of cloud volumes. From these few studies, graph theory appears to be innately applicable to the complexity, non-linearity and inherent

  18. The applications of Complexity Theory and Tsallis Non-extensive Statistics at Solar Plasma Dynamics

    NASA Astrophysics Data System (ADS)

    Pavlos, George

    2015-04-01

    As the solar plasma lives far from equilibrium it is an excellent laboratory for testing complexity theory and non-equilibrium statistical mechanics. In this study, we present the highlights of complexity theory and Tsallis non extensive statistical mechanics as concerns their applications at solar plasma dynamics, especially at sunspot, solar flare and solar wind phenomena. Generally, when a physical system is driven far from equilibrium states some novel characteristics can be observed related to the nonlinear character of dynamics. Generally, the nonlinearity in space plasma dynamics can generate intermittent turbulence with the typical characteristics of the anomalous diffusion process and strange topologies of stochastic space plasma fields (velocity and magnetic fields) caused by the strange dynamics and strange kinetics (Zaslavsky, 2002). In addition, according to Zelenyi and Milovanov (2004) the complex character of the space plasma system includes the existence of non-equilibrium (quasi)-stationary states (NESS) having the topology of a percolating fractal set. The stabilization of a system near the NESS is perceived as a transition into a turbulent state determined by self-organization processes. The long-range correlation effects manifest themselves as a strange non-Gaussian behavior of kinetic processes near the NESS plasma state. The complex character of space plasma can also be described by the non-extensive statistical thermodynamics pioneered by Tsallis, which offers a consistent and effective theoretical framework, based on a generalization of Boltzmann - Gibbs (BG) entropy, to describe far from equilibrium nonlinear complex dynamics (Tsallis, 2009). In a series of recent papers, the hypothesis of Tsallis non-extensive statistics in magnetosphere, sunspot dynamics, solar flares, solar wind and space plasma in general, was tested and verified (Karakatsanis et al., 2013; Pavlos et al., 2014; 2015). Our study includes the analysis of solar plasma time

  19. GT-CATS: Tracking Operator Activities in Complex Systems

    NASA Technical Reports Server (NTRS)

    Callantine, Todd J.; Mitchell, Christine M.; Palmer, Everett A.

    1999-01-01

    Human operators of complex dynamic systems can experience difficulties supervising advanced control automation. One remedy is to develop intelligent aiding systems that can provide operators with context-sensitive advice and reminders. The research reported herein proposes, implements, and evaluates a methodology for activity tracking, a form of intent inferencing that can supply the knowledge required for an intelligent aid by constructing and maintaining a representation of operator activities in real time. The methodology was implemented in the Georgia Tech Crew Activity Tracking System (GT-CATS), which predicts and interprets the actions performed by Boeing 757/767 pilots navigating using autopilot flight modes. This report first describes research on intent inferencing and complex modes of automation. It then provides a detailed description of the GT-CATS methodology, knowledge structures, and processing scheme. The results of an experimental evaluation using airline pilots are given. The results show that GT-CATS was effective in predicting and interpreting pilot actions in real time.

  20. Immersion freezing of ice nucleation active protein complexes

    NASA Astrophysics Data System (ADS)

    Hartmann, S.; Augustin, S.; Clauss, T.; Wex, H.; Šantl-Temkiv, T.; Voigtländer, J.; Niedermeier, D.; Stratmann, F.

    2013-06-01

    Utilising the Leipzig Aerosol Cloud Interaction Simulator (LACIS), the immersion freezing behaviour of droplet ensembles containing monodisperse particles, generated from a Snomax™ solution/suspension, was investigated. Thereto ice fractions were measured in the temperature range between -5 °C to -38 °C. Snomax™ is an industrial product applied for artificial snow production and contains Pseudomonas syringae} bacteria which have long been used as model organism for atmospheric relevant ice nucleation active (INA) bacteria. The ice nucleation activity of such bacteria is controlled by INA protein complexes in their outer membrane. In our experiments, ice fractions increased steeply in the temperature range from about -6 °C to about -10 °C and then levelled off at ice fractions smaller than one. The plateau implies that not all examined droplets contained an INA protein complex. Assuming the INA protein complexes to be Poisson distributed over the investigated droplet populations, we developed the CHESS model (stoCHastic modEl of similar and poiSSon distributed ice nuclei) which allows for the calculation of ice fractions as function of temperature and time for a given nucleation rate. Matching calculated and measured ice fractions, we determined and parameterised the nucleation rate of INA protein complexes exhibiting class III ice nucleation behaviour. Utilising the CHESS model, together with the determined nucleation rate, we compared predictions from the model to experimental data from the literature and found good agreement. We found that (a) the heterogeneous ice nucleation rate expression quantifying the ice nucleation behaviour of the INA protein complex is capable of describing the ice nucleation behaviour observed in various experiments for both, Snomax™ and P. syringae bacteria, (b) the ice nucleation rate, and its temperature dependence, seem to be very similar regardless of whether the INA protein complexes inducing ice nucleation are attached

  1. Applications of complex systems theory in nursing education, research, and practice.

    PubMed

    Clancy, Thomas R; Effken, Judith A; Pesut, Daniel

    2008-01-01

    The clinical and administrative processes in today's healthcare environment are becoming increasingly complex. Multiple providers, new technology, competition, and the growing ubiquity of information all contribute to the notion of health care as a complex system. A complex system (CS) is characterized by a highly connected network of entities (e.g., physical objects, people or groups of people) from which higher order behavior emerges. Research in the transdisciplinary field of CS has focused on the use of computational modeling and simulation as a methodology for analyzing CS behavior. The creation of virtual worlds through computer simulation allows researchers to analyze multiple variables simultaneously and begin to understand behaviors that are common regardless of the discipline. The application of CS principles, mediated through computer simulation, informs nursing practice of the benefits and drawbacks of new procedures, protocols and practices before having to actually implement them. The inclusion of new computational tools and their applications in nursing education is also gaining attention. For example, education in CSs and applied computational applications has been endorsed by The Institute of Medicine, the American Organization of Nurse Executives and the American Association of Colleges of Nursing as essential training of nurse leaders. The purpose of this article is to review current research literature regarding CS science within the context of expert practice and implications for the education of nurse leadership roles. The article focuses on 3 broad areas: CS defined, literature review and exemplars from CS research and applications of CS theory in nursing leadership education. The article also highlights the key role nursing informaticists play in integrating emerging computational tools in the analysis of complex nursing systems. PMID:18922279

  2. Active Printed Materials for Complex Self-Evolving Deformations

    PubMed Central

    Raviv, Dan; Zhao, Wei; McKnelly, Carrie; Papadopoulou, Athina; Kadambi, Achuta; Shi, Boxin; Hirsch, Shai; Dikovsky, Daniel; Zyracki, Michael; Olguin, Carlos; Raskar, Ramesh; Tibbits, Skylar

    2014-01-01

    We propose a new design of complex self-evolving structures that vary over time due to environmental interaction. In conventional 3D printing systems, materials are meant to be stable rather than active and fabricated models are designed and printed as static objects. Here, we introduce a novel approach for simulating and fabricating self-evolving structures that transform into a predetermined shape, changing property and function after fabrication. The new locally coordinated bending primitives combine into a single system, allowing for a global deformation which can stretch, fold and bend given environmental stimulus. PMID:25522053

  3. Active printed materials for complex self-evolving deformations.

    PubMed

    Raviv, Dan; Zhao, Wei; McKnelly, Carrie; Papadopoulou, Athina; Kadambi, Achuta; Shi, Boxin; Hirsch, Shai; Dikovsky, Daniel; Zyracki, Michael; Olguin, Carlos; Raskar, Ramesh; Tibbits, Skylar

    2014-01-01

    We propose a new design of complex self-evolving structures that vary over time due to environmental interaction. In conventional 3D printing systems, materials are meant to be stable rather than active and fabricated models are designed and printed as static objects. Here, we introduce a novel approach for simulating and fabricating self-evolving structures that transform into a predetermined shape, changing property and function after fabrication. The new locally coordinated bending primitives combine into a single system, allowing for a global deformation which can stretch, fold and bend given environmental stimulus. PMID:25522053

  4. Esterase activity of BSA-ZnO nanoparticle complex

    NASA Astrophysics Data System (ADS)

    Bhogale, A.; Nair, A.; Patel, N.; Miotello, A.; Kothari, D. C.

    2014-04-01

    The effect of Zinc Oxide Nanoparticles (ZnO NPs) on functional properties of Bovine Serum Albumin (BSA) protein was studied. ZnO NPs were synthesized with average size of ˜7.5 nm as obtained from TEM analysis. The catalytic conversion of p-nitrophenylacetate (PNPA) to p-nitrophenol in the presence of BSA attached with ZnO NPs was examined by UV-Vis spectroscopy at room temperature. The result suggests that esterase activity of BSA is significantly enhanced (6 times) due to the ground state BSA-ZnO complex formation.

  5. Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions

    NASA Astrophysics Data System (ADS)

    Hankel, Marlies; Connor, J. N. L.

    2015-07-01

    A valuable tool for understanding the dynamics of direct reactions is Nearside-Farside (NF) scattering theory. It makes a decomposition of the (resummed) partial wave series for the scattering amplitude, both for the differential cross section (DCS) and the Local Angular Momentum (LAM). This paper makes the first combined application of these techniques to complex-mode reactions. We ask if NF theory is a useful tool for their identification, in particular, can it distinguish complex-mode from direct-mode reactions? We also ask whether NF theory can identify NF interference oscillations in the full DCSs of complex-mode reactions. Our investigation exploits the fact that accurate quantum scattering matrix elements have recently become available for complex-mode reactions. We first apply NF theory to two simple models for the scattering amplitude of a complex-mode reaction: One involves a single Legendre polynomial; the other involves a single Legendre function of the first kind, whose form is suggested by complex angular momentum theory. We then study, at fixed translational energies, four state-to-state complex-mode reactions. They are: S(1D) + HD → SH + D, S(1D) + DH → SD + H, N(2D) +H2 → NH + H, and H+ + D2 → HD + D+. We compare the NF results for the DCSs and LAMs with those for a state-to-state direct reaction, namely, F + H2 → FH + H. We demonstrate that NF theory is a valuable tool for identifying and analyzing the dynamics of complex-mode reactions.

  6. Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions

    SciTech Connect

    Hankel, Marlies E-mail: j.n.l.connor@manchester.ac.uk; Connor, J. N. L. E-mail: j.n.l.connor@manchester.ac.uk

    2015-07-15

    A valuable tool for understanding the dynamics of direct reactions is Nearside-Farside (NF) scattering theory. It makes a decomposition of the (resummed) partial wave series for the scattering amplitude, both for the differential cross section (DCS) and the Local Angular Momentum (LAM). This paper makes the first combined application of these techniques to complex-mode reactions. We ask if NF theory is a useful tool for their identification, in particular, can it distinguish complex-mode from direct-mode reactions? We also ask whether NF theory can identify NF interference oscillations in the full DCSs of complex-mode reactions. Our investigation exploits the fact that accurate quantum scattering matrix elements have recently become available for complex-mode reactions. We first apply NF theory to two simple models for the scattering amplitude of a complex-mode reaction: One involves a single Legendre polynomial; the other involves a single Legendre function of the first kind, whose form is suggested by complex angular momentum theory. We then study, at fixed translational energies, four state-to-state complex-mode reactions. They are: S({sup 1}D) + HD → SH + D, S({sup 1}D) + DH → SD + H, N({sup 2}D) +H{sub 2} → NH + H, and H{sup +} + D{sub 2} → HD + D{sup +}. We compare the NF results for the DCSs and LAMs with those for a state-to-state direct reaction, namely, F + H{sub 2} → FH + H. We demonstrate that NF theory is a valuable tool for identifying and analyzing the dynamics of complex-mode reactions.

  7. Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes

    SciTech Connect

    Chen, Lipeng; Zhao, Yang; Gelin, Maxim F.; Domcke, Wolfgang

    2015-04-28

    We develop a first principles theoretical description of femtosecond double-pump single-molecule signals of molecular aggregates. We incorporate all singly excited electronic states and vibrational modes with significant exciton-phonon coupling into a system Hamiltonian and treat the ensuing system dynamics within the Davydov D{sub 1} Ansatz. The remaining intra- and inter-molecular vibrational modes are treated as a heat bath and their effect is accounted for through lineshape functions. We apply our theory to simulate single-molecule signals of the light harvesting complex II. The calculated signals exhibit pronounced oscillations of mixed electron-vibrational (vibronic) origin. Their periods decrease with decreasing exciton-phonon coupling.

  8. Using activity-based costing and theory of constraints to guide continuous improvement in managed care.

    PubMed

    Roybal, H; Baxendale, S J; Gupta, M

    1999-01-01

    Activity-based costing and the theory of constraints have been applied successfully in many manufacturing organizations. Recently, those concepts have been applied in service organizations. This article describes the application of activity-based costing and the theory of constraints in a managed care mental health and substance abuse organization. One of the unique aspects of this particular application was the integration of activity-based costing and the theory of constraints to guide process improvement efforts. This article describes the activity-based costing model and the application of the theory of constraint's focusing steps with an emphasis on unused capacities of activities in the organization. PMID:10350791

  9. Supramolecular coordination and antimicrobial activities of constructed mixed ligand complexes

    NASA Astrophysics Data System (ADS)

    El-Sonbati, A. Z.; Diab, M. A.; El-Bindary, A. A.; Abou-Dobara, M. I.; Seyam, H. A.

    2013-03-01

    A novel series of copper(II) and palladium(II) with 4-derivatives benzaldehyde pyrazolone (Ln) were synthesized. The mixed ligand complexes were prepared by using 1,10-phenanthroline (Phen) as second ligand. The structure of these complexes was identified and confirm by elemental analysis, molar conductivity, UV-Vis, IR and 1H NMR spectroscopy and magnetic moment measurements as well as thermal analysis. The ligand behaves as a neutral bidentate ligand through ON donor sites. ESR spectra show the simultaneous presence of a planar trans and a nearly planar cis isomers in the 1:2 ratio for all N,O complexes [Cu(Ln)2]Cl2ṡ2H2O. Schiff bases (Ln) were tested against bacterial species; namely two Gram positive bacteria (Staphylococcus aureus and Bacillus cereus) and two Gram negative bacteria (Escherichia coli and Klebsiella pneumoniae) and fungal species (Aspergillus niger, Fusarium oxysporium, Penicillium italicum and Alternaria alternata). The tested compounds have antibacterial activity against S. aureus, B. cereus and K. pneumoniae.

  10. An information theory criteria based blind method for enumerating active users in DS-CDMA system

    NASA Astrophysics Data System (ADS)

    Samsami Khodadad, Farid; Abed Hodtani, Ghosheh

    2014-11-01

    In this paper, a new and blind algorithm for active user enumeration in asynchronous direct sequence code division multiple access (DS-CDMA) in multipath channel scenario is proposed. The proposed method is based on information theory criteria. There are two main categories of information criteria which are widely used in active user enumeration, Akaike Information Criterion (AIC) and Minimum Description Length (MDL) information theory criteria. The main difference between these two criteria is their penalty functions. Due to this difference, MDL is a consistent enumerator which has better performance in higher signal-to-noise ratios (SNR) but AIC is preferred in lower SNRs. In sequel, we propose a SNR compliance method based on subspace and training genetic algorithm to have the performance of both of them. Moreover, our method uses only a single antenna, in difference to the previous methods which decrease hardware complexity. Simulation results show that the proposed method is capable of estimating the number of active users without any prior knowledge and the efficiency of the method.

  11. Multifractality as a Measure of Complexity in Solar Flare Activity

    NASA Astrophysics Data System (ADS)

    Sen, Asok K.

    2007-03-01

    In this paper we use the notion of multifractality to describe the complexity in H α flare activity during the solar cycles 21, 22, and 23. Both northern and southern hemisphere flare indices are analyzed. Multifractal behavior of the flare activity is characterized by calculating the singularity spectrum of the daily flare index time series in terms of the Hölder exponent. The broadness of the singularity spectrum gives a measure of the degree of multifractality or complexity in the flare index data. The broader the spectrum, the richer and more complex is the structure with a higher degree of multifractality. Using this broadness measure, complexity in the flare index data is compared between the northern and southern hemispheres in each of the three cycles, and among the three cycles in each of the two hemispheres. Other parameters of the singularity spectrum can also provide information about the fractal properties of the flare index data. For instance, an asymmetry to the left or right in the singularity spectrum indicates a dominance of high or low fractal exponents, respectively, reflecting a relative abundance of large or small fluctuations in the total energy emitted by the flares. Our results reveal that in the even (22nd) cycle the singularity spectra are very similar for the northern and southern hemispheres, whereas in the odd cycles (21st and 23rd) they differ significantly. In particular, we find that in cycle 21, the northern hemisphere flare index data have higher complexity than its southern counterpart, with an opposite pattern prevailing in cycle 23. Furthermore, small-scale fluctuations in the flare index time series are predominant in the northern hemisphere in the 21st cycle and are predominant in the southern hemisphere in the 23rd cycle. Based on these findings one might suggest that, from cycle to cycle, there exists a smooth switching between the northern and southern hemispheres in the multifractality of the flaring process. This new

  12. Activation of signalling by the activin receptor complex.

    PubMed Central

    Attisano, L; Wrana, J L; Montalvo, E; Massagué, J

    1996-01-01

    Activin exerts its effects by simultaneously binding to two types of p rotein serine/threonine kinase receptors, each type existing in various isoforms. Using the ActR-IB and ActR-IIB receptor isoforms, we have investigated the mechanism of activin receptor activation. ActR-IIB are phosphoproteins with demonstrable affinity for each other. However, activin addition strongly promotes an interaction between these two proteins. Activin binds directly to ActR-IIB, and this complex associates with ActR-IB, which does not bind ligand on its own. In the resulting complex, ActR-IB becomes hyperphosphorylated, and this requires the kinase activity of ActR-IIB. Mutation of conserved serines and threonines in the GS domain, a region just upstream of the kinase domain in ActR-IB, abrogates both phosphorylation and signal propagation, suggesting that this domain contains phosphorylation sites required for signalling. ActR-IB activation can be mimicked by mutation of Thr-206 to aspartic acid, which yields a construct, ActR-IB(T206D), that signals in the absence of ligand. Furthermore, the signalling activity of this mutant construct is undisturbed by overexpression of a dominant negative kinase-defective ActR-IIB construct, indicating that ActR-IB(T206D) can signal independently of ActR-IIB. The evidence suggests that ActR-IIB acts as a primary activin receptor and ActR-IB acts as a downstream transducer of activin signals. PMID:8622651

  13. Gas Phase Uranyl Activation: Formation of a Uranium Nitrosyl Complex from Uranyl Azide

    SciTech Connect

    Gong, Yu; De Jong, Wibe A.; Gibson, John K.

    2015-05-13

    Activation of the oxo bond of uranyl, UO22+, was achieved by collision induced dissociation (CID) of UO2(N3)Cl2– in a quadrupole ion trap mass spectrometer. The gas phase complex UO2(N3)Cl2– was produced by electrospray ionization of solutions of UO2Cl2 and NaN3. CID of UO2(N3)Cl2– resulted in the loss of N2 to form UO(NO)Cl2–, in which the “inert” uranyl oxo bond has been activated. Formation of UO2Cl2– via N3 loss was also observed. Density functional theory computations predict that the UO(NO)Cl2– complex has nonplanar Cs symmetry and a singlet ground state. Analysis of the bonding of the UO(NO)Cl2– complex shows that the side-on bonded NO moiety can be considered as NO3–, suggesting a formal oxidation state of U(VI). Activation of the uranyl oxo bond in UO2(N3)Cl2– to form UO(NO)Cl2– and N2 was computed to be endothermic by 169 kJ/mol, which is energetically more favorable than formation of NUOCl2– and UO2Cl2–. The observation of UO2Cl2– during CID is most likely due to the absence of an energy barrier for neutral ligand loss.

  14. Gas phase uranyl activation: formation of a uranium nitrosyl complex from uranyl azide.

    PubMed

    Gong, Yu; de Jong, Wibe A; Gibson, John K

    2015-05-13

    Activation of the oxo bond of uranyl, UO2(2+), was achieved by collision induced dissociation (CID) of UO2(N3)Cl2(-) in a quadrupole ion trap mass spectrometer. The gas phase complex UO2(N3)Cl2(-) was produced by electrospray ionization of solutions of UO2Cl2 and NaN3. CID of UO2(N3)Cl2(-) resulted in the loss of N2 to form UO(NO)Cl2(-), in which the "inert" uranyl oxo bond has been activated. Formation of UO2Cl2(-) via N3 loss was also observed. Density functional theory computations predict that the UO(NO)Cl2(-) complex has nonplanar Cs symmetry and a singlet ground state. Analysis of the bonding of the UO(NO)Cl2(-) complex shows that the side-on bonded NO moiety can be considered as NO(3-), suggesting a formal oxidation state of U(VI). Activation of the uranyl oxo bond in UO2(N3)Cl2(-) to form UO(NO)Cl2(-) and N2 was computed to be endothermic by 169 kJ/mol, which is energetically more favorable than formation of NUOCl2(-) and UO2Cl2(-). The observation of UO2Cl2(-) during CID is most likely due to the absence of an energy barrier for neutral ligand loss. PMID:25906363

  15. Performance Assessment Assistance Activities in the DOE Complex - 12325

    SciTech Connect

    Seitz, Roger R.; Phifer, Mark A.; Letourneau, Martin J.

    2012-07-01

    The United States Department of Energy Office of Environmental Management (DOE-EM) has established a Performance Assessment Community of Practice (PA CoP) to foster the sharing of information among performance assessment (PA) and risk assessment practitioners, regulators and oversight personnel. The general intent is to contribute to continuous improvement in the consistency, technical adequacy and quality of implementation of PAs and risk assessments around the DOE Complex. The PA CoP activities have involved commercial disposal facilities and international participants to provide a global perspective. The PA CoP has also sponsored annual technical exchanges as a means to foster improved communication and to share lessons learned from on-going modelling activities. The PA CoP encourages activities to provide programmatic and technical assistance in the form of sharing experience and lessons learned with practitioners during the development of PAs and risk assessments. This assistance complements DOE-EM reviews through the Low-Level Waste Disposal Facility Federal Review Group (LFRG) that are conducted after modelling efforts are completed. Such up-front assistance is providing additional value in terms of improving consistency and sharing of information. There has been a substantial increase in the amount of assistance being provided. The assistance has been well received by practitioners and regulators that have been involved. The paper highlights assistance and sharing of information that has been conducted in the last two years to support activities underway in support of proposed disposal facilities at Paducah, Portsmouth, and the Idaho National Laboratory and tank closure at Hanford. DOE-EM established the PA CoP to help improve the consistency and quality of implementation of modelling activities around the DOE Complex. The PA CoP has sponsored annual technical exchanges as a means to foster improved communication and to share lessons learned from ongoing

  16. Solar Activity Predictions Based on Solar Dynamo Theories

    NASA Astrophysics Data System (ADS)

    Schatten, Kenneth H.

    2009-05-01

    We review solar activity prediction methods, statistical, precursor, and recently the Dikpati and the Choudhury groups’ use of numerical flux-dynamo methods. Outlining various methods, we compare precursor techniques with weather forecasting. Precursors involve events prior to a solar cycle. First started by the Russian geomagnetician Ohl, and then Brown and Williams; the Earth's field variations near solar minimum was used to predict the next solar cycle, with a correlation of 0.95. From the standpoint of causality, as well as energetically, these relationships were somewhat bizarre. One index used was the "number of anomalous quiet days,” an antiquated, subjective index. Scientific progress cannot be made without some suspension of disbelief; otherwise old paradigms become tautologies. So, with youthful naïveté, Svalgaard, Scherrer, Wilcox and I viewed the results through rose-colored glasses and pressed ahead searching for understanding. We eventually fumbled our way to explaining how the Sun could broadcast the state of its internal dynamo to Earth. We noted one key aspect of the Babcock-Leighton Flux Dynamo theory: the polar field at the end of a cycle serves as a seed for the next cycle's growth. Near solar minimum this field usually bathes the Earth, and thereby affects geomagnetic indices then. We found support by examining 8 previous solar cycles. Using our solar precursor technique we successfully predicted cycles 21, 22 and 23 using WSO and MWSO data. Pesnell and I improved the method using a SODA (SOlar Dynamo Amplitude) Index. In 2005, nearing cycle 23's minimum, Svalgaard and I noted an unusually weak polar field, and forecasted a small cycle 24. We discuss future advances: the flux-dynamo methods. As far as future solar activity, I shall let the Sun decide; it will do so anyhow.

  17. Spreading Effect in Industrial Complex Network Based on Revised Structural Holes Theory

    PubMed Central

    Ye, Qing; Guan, Jun

    2016-01-01

    This paper analyzed the spreading effect of industrial sectors with complex network model under perspective of econophysics. Input-output analysis, as an important research tool, focuses more on static analysis. However, the fundamental aim of industry analysis is to figure out how interaction between different industries makes impacts on economic development, which turns out to be a dynamic process. Thus, industrial complex network based on input-output tables from WIOD is proposed to be a bridge connecting accurate static quantitative analysis and comparable dynamic one. With application of revised structural holes theory, flow betweenness and random walk centrality were respectively chosen to evaluate industrial sectors’ long-term and short-term spreading effect process in this paper. It shows that industries with higher flow betweenness or random walk centrality would bring about more intensive industrial spreading effect to the industrial chains they stands in, because value stream transmission of industrial sectors depends on how many products or services it can get from the other ones, and they are regarded as brokers with bigger information superiority and more intermediate interests. PMID:27218468

  18. Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory

    SciTech Connect

    Gunawardana, K. G.S.H.; Song, Xueyu

    2014-12-22

    Recently developed fundamental measure density functional theory (FMT) is used to study binary hard sphere (HS) complexes in crystalline phases. By comparing the excess free energy, pressure and phase diagram, we show that the fundamental measure functional yields good agreements to the available simulation results of AB, AB2 and AB13 crystals. Additionally, we use this functional to study the HS models of five binary crystals, Cu5Zr(C15b), Cu51Zr14(β), Cu10Zr7(φ), CuZr(B2) and CuZr2 (C11b), which are observed in the Cu-Zr system. The FMT functional gives well behaved minimum for most of the hard sphere crystal complexes in the two dimensional Gaussian space, namely a crystalline phase. However, the current version of FMT functional (white Bear) fails to give a stable minimum for the structure Cu10Zr7(φ). We argue that the observed solid phases for the HS models of the Cu-Zr system are true thermodynamic stable phases and can be used as a reference system in perturbation calculations.

  19. The Accuracy of Geometries for Iron Porphyrin Complexes from Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Rydberg, Patrik; Olsen, Lars

    2009-08-01

    Iron porphyrin complexes are cofactors in many important proteins such as cytochromes P450, hemoglobin, heme peroxidases, etc. Many computational studies on these systems have been done over the past decade. In this study, the performance of some of the most commonly used density functional theory functionals is evaluated with regard to how they reproduce experimental structures. Seven different functionals (BP86, PBE, PBE0, TPSS, TPSSH, B3LYP, and B97-D) are used to study eight different iron porphyrin complexes. The results show that the TPSSH, PBE0, and TPSS functionals give the best results (absolute bond distance deviations of 0.015-0.016 Å), but the geometries are well-reproduced by all functionals except B3LYP. We also test four different basis sets of double-ζ quality, and we find that a combination of double-ζ basis set of Schäfer et al. on the iron atom and the 6-31G* basis set on the other atoms performs best. Finally, we remove the porphyrin side chains and increase the basis set size systematically to see if this affects the results. We show that basis sets larger than double-ζ quality are not necessary to get accurate geometries, and nonaromatic side chains do not affect the geometries.

  20. Spreading Effect in Industrial Complex Network Based on Revised Structural Holes Theory.

    PubMed

    Xing, Lizhi; Ye, Qing; Guan, Jun

    2016-01-01

    This paper analyzed the spreading effect of industrial sectors with complex network model under perspective of econophysics. Input-output analysis, as an important research tool, focuses more on static analysis. However, the fundamental aim of industry analysis is to figure out how interaction between different industries makes impacts on economic development, which turns out to be a dynamic process. Thus, industrial complex network based on input-output tables from WIOD is proposed to be a bridge connecting accurate static quantitative analysis and comparable dynamic one. With application of revised structural holes theory, flow betweenness and random walk centrality were respectively chosen to evaluate industrial sectors' long-term and short-term spreading effect process in this paper. It shows that industries with higher flow betweenness or random walk centrality would bring about more intensive industrial spreading effect to the industrial chains they stands in, because value stream transmission of industrial sectors depends on how many products or services it can get from the other ones, and they are regarded as brokers with bigger information superiority and more intermediate interests. PMID:27218468

  1. Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory

    DOE PAGESBeta

    Gunawardana, K. G.S.H.; Song, Xueyu

    2014-12-22

    Recently developed fundamental measure density functional theory (FMT) is used to study binary hard sphere (HS) complexes in crystalline phases. By comparing the excess free energy, pressure and phase diagram, we show that the fundamental measure functional yields good agreements to the available simulation results of AB, AB2 and AB13 crystals. Additionally, we use this functional to study the HS models of five binary crystals, Cu5Zr(C15b), Cu51Zr14(β), Cu10Zr7(φ), CuZr(B2) and CuZr2 (C11b), which are observed in the Cu-Zr system. The FMT functional gives well behaved minimum for most of the hard sphere crystal complexes in the two dimensional Gaussian space,more » namely a crystalline phase. However, the current version of FMT functional (white Bear) fails to give a stable minimum for the structure Cu10Zr7(φ). We argue that the observed solid phases for the HS models of the Cu-Zr system are true thermodynamic stable phases and can be used as a reference system in perturbation calculations.« less

  2. Understanding Synchronous Computer-Mediated Classroom Discussion through Cultural-Historical Activity Theory

    ERIC Educational Resources Information Center

    Park, Yangjoo

    2015-01-01

    This study is about graduate students' discourse practices in classroom text-based synchronous computer mediated discussions (SCMD). Cultural historical activity theory (in short, Activity Theory) is the primary theoretical lens through which the data are analyzed. Engeström's (1987) Activity System model among the various theoretical positions or…

  3. Activity Theory as a Framework for Designing the Model of College English Listening

    ERIC Educational Resources Information Center

    Zhang, Jianfeng

    2014-01-01

    Activity theory signifies that activities are at the centre of human behaviour and it has been used to study cognitive process in many fields. Nowadays, college English listening learning is time-consuming but less effective in China, so enhancing the performance of listening instruction is a very hot topic. Theoretically, activity theory is able…

  4. The Systemic-Structural Theory of Activity: Applications to the Study of Human Work

    ERIC Educational Resources Information Center

    Bedny, Gregory Z.; Harris, Steven Robert

    2005-01-01

    This article offers an introduction to the central concepts and principles of the Systemic-Structural Theory of Activity (SSTA), an activity-theoretical approach specifically tailored to the analysis and design of human work. In activity theory, cognition is understood both as a process and as a structured system of actions. Building on the…

  5. Speed of synchronization in complex networks of neural oscillators: Analytic results based on Random Matrix Theory

    NASA Astrophysics Data System (ADS)

    Timme, Marc; Geisel, Theo; Wolf, Fred

    2006-03-01

    We analyze the dynamics of networks of spiking neural oscillators. First, we present an exact linear stability theory of the synchronous state for networks of arbitrary connectivity. For general neuron rise functions, stability is determined by multiple operators, for which standard analysis is not suitable. We describe a general nonstandard solution to the multioperator problem. Subsequently, we derive a class of neuronal rise functions for which all stability operators become degenerate and standard eigenvalue analysis becomes a suitable tool. Interestingly, this class is found to consist of networks of leaky integrate-and-fire neurons. For random networks of inhibitory integrate-and-fire neurons, we then develop an analytical approach, based on the theory of random matrices, to precisely determine the eigenvalue distributions of the stability operators. This yields the asymptotic relaxation time for perturbations to the synchronous state which provides the characteristic time scale on which neurons can coordinate their activity in such networks. For networks with finite in-degree, i.e., finite number of presynaptic inputs per neuron, we find a speed limit to coordinating spiking activity. Even with arbitrarily strong interaction strengths neurons cannot synchronize faster than at a certain maximal speed determined by the typical in-degree.

  6. Activity of rhodium-catalyzed hydroformylation: added insight and predictions from theory.

    PubMed

    Sparta, Manuel; Børve, Knut J; Jensen, Vidar R

    2007-07-11

    We have performed a density functional theory investigation of hydroformylation of ethylene for monosubstituted rhodium-carbonyl catalysts, HRh(CO)3L, where the modifying ligand, L, is a phosphite (L = P(OMe)3, P(OPh)3, or P(OCH2CF3)3), a phosphine (L = PMe3, PEt3, PiPr3, or PPh3), or a N-heterocyclic carbene (NHC) based on the tetrahydropyrimidine, imidazol, or tetrazol ring, respectively. The study follows the Heck and Breslow mechanism. Excellent correspondence between our calculations and existing experimental information is found, and the present results constitute the first example of a realistic quantum chemical description of the catalytic cycle of hydroformylation using ligand-modified rhodium carbonyl catalysts. This description explains the mechanistic and kinetic basis of the contemporary understanding of this class of reaction and offers unprecedented insight into the electronic and steric factors governing catalytic activity. The insight has been turned into structure-activity relationships and used as guidelines when also subjecting to calculation phosphite and NHC complexes that have yet to be reported experimentally. The latter calculations illustrate that it is possible to increase the electron-withdrawing capacity of both phosphite and NHC ligands compared to contemporary ligands through directed substitution. Rhodium complexes of such very electron-withdrawing ligands are predicted to be more active than contemporary catalysts for hydroformylation. PMID:17555314

  7. Modeling and dynamical topology properties of VANET based on complex networks theory

    NASA Astrophysics Data System (ADS)

    Zhang, Hong; Li, Jie

    2015-01-01

    Vehicular Ad hoc Network (VANET) is a special subset of multi-hop Mobile Ad hoc Networks in which vehicles can not only communicate with each other but also with the fixed equipments along the roads through wireless interfaces. Recently, it has been discovered that essential systems in real world share similar properties. When they are regarded as networks, among which the dynamic topology structure of VANET system is an important issue. Many real world networks are actually growing with preferential attachment like Internet, transportation system and telephone network. Those phenomena have brought great possibility in finding a strategy to calibrate and control the topology parameters which can help find VANET topology change regulation to relieve traffic jam, prevent traffic accident and improve traffic safety. VANET is a typical complex network which has its basic characteristics. In this paper, we focus on the macroscopic Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) inter-vehicle communication network with complex network theory. In particular, this paper is the first one to propose a method analyzing the topological structure and performance of VANET and present the communications in VANET from a new perspective. Accordingly, we propose degree distribution, clustering coefficient and the short path length of complex network to implement our strategy by numerical example and simulation. All the results demonstrate that VANET shows small world network features and is characterized by a truncated scale-free degree distribution with power-law degree distribution. The average path length of the network is simulated numerically, which indicates that the network shows small-world property and is rarely affected by the randomness. What's more, we carry out extensive simulations of information propagation and mathematically prove the power law property when γ > 2. The results of this study provide useful information for VANET optimization from a

  8. Modeling and dynamical topology properties of VANET based on complex networks theory

    SciTech Connect

    Zhang, Hong; Li, Jie

    2015-01-15

    Vehicular Ad hoc Network (VANET) is a special subset of multi-hop Mobile Ad hoc Networks in which vehicles can not only communicate with each other but also with the fixed equipments along the roads through wireless interfaces. Recently, it has been discovered that essential systems in real world share similar properties. When they are regarded as networks, among which the dynamic topology structure of VANET system is an important issue. Many real world networks are actually growing with preferential attachment like Internet, transportation system and telephone network. Those phenomena have brought great possibility in finding a strategy to calibrate and control the topology parameters which can help find VANET topology change regulation to relieve traffic jam, prevent traffic accident and improve traffic safety. VANET is a typical complex network which has its basic characteristics. In this paper, we focus on the macroscopic Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) inter-vehicle communication network with complex network theory. In particular, this paper is the first one to propose a method analyzing the topological structure and performance of VANET and present the communications in VANET from a new perspective. Accordingly, we propose degree distribution, clustering coefficient and the short path length of complex network to implement our strategy by numerical example and simulation. All the results demonstrate that VANET shows small world network features and is characterized by a truncated scale-free degree distribution with power-law degree distribution. The average path length of the network is simulated numerically, which indicates that the network shows small-world property and is rarely affected by the randomness. What’s more, we carry out extensive simulations of information propagation and mathematically prove the power law property when γ > 2. The results of this study provide useful information for VANET optimization from a

  9. Synthesis and Characterisation of Copper(II) Complexes with Tridentate NNO Functionalized Ligand: Density Function Theory Study, DNA Binding Mechanism, Optical Properties, and Biological Application

    PubMed Central

    Hazra, Madhumita; Dolai, Tanushree; Pandey, Akhil; Dey, Subrata Kumar; Patra, Animesh

    2014-01-01

    The photo physical properties of two mononuclear pentacoordinated copper(II) complexes formulated as [Cu(L)(Cl)(H2O)] (1) and [Cu(L)(Br)(H2O)] (2) HL = (1-[(3-methyl-pyridine-2-ylimino)-methyl]-naphthalen-2-ol) were synthesized and characterized by elemental, physicochemical, and spectroscopic methods. The density function theory calculations are used to investigate the electronic structures and the electronic properties of ligand and complex. The interactions of copper(II) complexes towards calf thymus DNA were examined with the help of absorption, viscosity, and fluorescence spectroscopic techniques at pH 7.40. All spectroscopy's result indicates that complexes show good binding activity to calf thymus DNA through groove binding. The optical absorption and fluorescence emission properties of microwires were characterized by fluorescence microscope. From a spectroscopic viewpoint, all compounds strongly emit green light in the solid state. The microscopy investigation suggested that microwires exhibited optical waveguide behaviour which are applicable as fluorescent nanomaterials and can be used as building blocks for miniaturized photonic devices. Antibacterial study reveals that complexes are better antimicrobial agents than free Schiff base due to bacterial cell penetration by chelation. Moreover, the antioxidant study of the ligand and complexes is evaluated by using 1,1-diphenyl-2-picrylhydrazyl (DPPH) free-radical assays, which demonstrate that the complexes are of higher antioxidant activity than free ligand. PMID:25386109

  10. Density functional theory studies on decomposition of ethyl-palladium complexes: an important role of cationic species

    NASA Astrophysics Data System (ADS)

    Raharintsalama, Rado; Munakata, Hiroaki; Koyama, Michihisa; Kubo, Momoji; Miyamoto, Akira

    2005-05-01

    Density functional theory calculations were applied to investigate the β-hydrogen-elimination of the ethyl-palladium complexes, cis-(Me 3P) 2(Et)PdHX, where X = Cl, Br or I, to form ethene and hydrido-palladium complexes. Effects of substitution of halogen ligands and coordination of solvent molecules on geometric parameters and energies were investigated. Studies on solvated reaction intermediates revealed the agostic ethyl-palladium complexes to be important in the decomposition processes of the ethyl-palladium complexes.

  11. Sociological Understandings of Conduct for a Noncanonical Activity Theory: Exploring Intersections and Complementarities

    ERIC Educational Resources Information Center

    Sawchuk, Peter H.; Stetsenko, Anna

    2008-01-01

    Following a discussion of activity theory as an approach to human development originally rooted in transformational change, we review the historical context and diverse conceptualizations of social conduct from the field of sociology. The discussion of social conduct is broken into theories of social action, theories of enactment, and contemporary…

  12. The Bourgeoisie Dream Factory: Teaching Marx's Theory of Alienation through an Experiential Activity

    ERIC Educational Resources Information Center

    Windsor, Elroi J.; Carroll, Alana M.

    2015-01-01

    Effectively teaching sociological theories to undergraduate students is challenging. Students often enroll in theory courses due to major requirements, not personal interest. Consequently, many students approach the study of theory with anxiety. This study examined the effectiveness of an experiential learning activity designed to teach Karl…

  13. Using Cultural-Historical Activity Theory to Design and Evaluate an Educational Game in Science Education

    ERIC Educational Resources Information Center

    Lazarou, D.

    2011-01-01

    The aim of this paper is to describe a methodology for using Cultural-Historical Activity Theory (CHAT) at the initial stages of the design process of an educational game, by exploring how the theory can be used as a framework for producing not only usable but also useful computer tools. The research also aimed to investigate how the theory could…

  14. Participation in Peer Response as Activity: An Examination of Peer Response Stances from an Activity Theory Perspective

    ERIC Educational Resources Information Center

    Zhu, Wei; Mitchell, Deborah A.

    2012-01-01

    This article reports a case study that examined English as a Second Language students' peer response stances from an activity theory perspective. More specifically, the study was guided by the constructs of activity and motive/object in Leont'ev's theory. Multiple sources of data were collected from two native Spanish-speaking students enrolled in…

  15. Mitogen activated protein kinase at the nuclear pore complex

    PubMed Central

    Faustino, Randolph S; Maddaford, Thane G; Pierce, Grant N

    2011-01-01

    Abstract Mitogen activated protein (MAP) kinases control eukaryotic proliferation, and import of kinases into the nucleus through the nuclear pore complex (NPC) can influence gene expression to affect cellular growth, cell viability and homeostatic function. The NPC is a critical regulatory checkpoint for nucleocytoplasmic traffic that regulates gene expression and cell growth, and MAP kinases may be physically associated with the NPC to modulate transport. In the present study, highly enriched NPC fractions were isolated and investigated for associated kinases and/or activity. Endogenous kinase activity was identified within the NPC fraction, which phosphorylated a 30 kD nuclear pore protein. Phosphomodification of this nucleoporin, here termed Nup30, was inhibited by apigenin and PD-98059, two MAP kinase antagonists as well as with SB-202190, a pharmacological blocker of p38. Furthermore, high throughput profiling of enriched NPCs revealed constitutive presence of all members of the MAP kinase family, extracellular regulated kinases (ERK), p38 and Jun N-terminal kinase. The NPC thus contains a spectrum of associated MAP kinases that suggests an intimate role for ERK and p38 in regulation of nuclear pore function. PMID:20497490

  16. Collective learning modeling based on the kinetic theory of active particles

    NASA Astrophysics Data System (ADS)

    Burini, D.; De Lillo, S.; Gibelli, L.

    2016-03-01

    This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom.

  17. Collective learning modeling based on the kinetic theory of active particles.

    PubMed

    Burini, D; De Lillo, S; Gibelli, L

    2016-03-01

    This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom. PMID:26542123

  18. A nonequilibrium statistical field theory of swarms and other spatially extended complex systems

    SciTech Connect

    Millonas, M.M. Santa Fe Inst., NM )

    1993-01-01

    A class of models with applications to swarm behavior as well as many other types of spatially extended complex biological and physical systems is studied. Internal fluctuations can play an active role in the organization of the phase structure of such systems. Consequently, it is not possible to fully understand the behavior of these systems without explicitly incorporating the fluctuations. In particular, for the class of models studied here the effect of internal fluctuations due to finite size is a renormalized decrease in the temperature near the point of spontaneous symmetry breaking. We briefly outline how these models can be applied to the behavior of an ant swarm.

  19. A nonequilibrium statistical field theory of swarms and other spatially extended complex systems

    SciTech Connect

    Millonas, M.M. |

    1993-07-01

    A class of models with applications to swarm behavior as well as many other types of spatially extended complex biological and physical systems is studied. Internal fluctuations can play an active role in the organization of the phase structure of such systems. Consequently, it is not possible to fully understand the behavior of these systems without explicitly incorporating the fluctuations. In particular, for the class of models studied here the effect of internal fluctuations due to finite size is a renormalized decrease in the temperature near the point of spontaneous symmetry breaking. We briefly outline how these models can be applied to the behavior of an ant swarm.

  20. Varying modulation of HIV-1 LTR activity by Baf complexes.

    PubMed

    Van Duyne, Rachel; Guendel, Irene; Narayanan, Aarthi; Gregg, Edward; Shafagati, Nazly; Tyagi, Mudit; Easley, Rebecca; Klase, Zachary; Nekhai, Sergei; Kehn-Hall, Kylene; Kashanchi, Fatah

    2011-08-19

    The human immunodeficiency virus type 1 (HIV-1) long terminal repeat is present on both ends of the integrated viral genome and contains regulatory elements needed for transcriptional initiation and elongation. Post-integration, a highly ordered chromatin structure consisting of at least five nucleosomes, is found at the 5' long terminal repeat, the location and modification state of which control the state of active viral replication as well as silencing of the latent HIV-1 provirus. In this context, the chromatin remodeling field rapidly emerges as having a critical role in the control of viral gene expression. In the current study, we focused on unique Baf subunits that are common to the most highly recognized of chromatin remodeling proteins, the SWI/SNF (switching-defective-sucrose non-fermenting) complexes. We find that at least two Baf proteins, Baf53 and Baf170, are highly regulated in HIV-1-infected cells. Previously, studies have shown that the depletion of Baf53 in uninfected cells leads to the expansion of chromosomal territories and the decompaction of the chromatin. Baf53, in the presence of HIV-1 infection, co-elutes off of a chromatographic column as a different-sized complex when compared to uninfected cells and appears to be predominantly phosphorylated. The innate function of Baf53-containing complexes appears to be transcriptionally suppressive, in that knocking down Baf53 increases viral gene expression from cells both transiently and chronically infected with HIV-1. Additionally, cdk9/cyclin T in the presence of Tat is able to phosphorylate Baf53 in vitro, implying that this posttranslationally modified form relieves the suppressive effect and allows for viral transcription to proceed. PMID:21699904

  1. Prospects of a mathematical theory of human behavior in complex man-machine systems tasks. [time sharing computer analogy of automobile driving

    NASA Technical Reports Server (NTRS)

    Johannsen, G.; Rouse, W. B.

    1978-01-01

    A hierarchy of human activities is derived by analyzing automobile driving in general terms. A structural description leads to a block diagram and a time-sharing computer analogy. The range of applicability of existing mathematical models is considered with respect to the hierarchy of human activities in actual complex tasks. Other mathematical tools so far not often applied to man machine systems are also discussed. The mathematical descriptions at least briefly considered here include utility, estimation, control, queueing, and fuzzy set theory as well as artificial intelligence techniques. Some thoughts are given as to how these methods might be integrated and how further work might be pursued.

  2. Natural lecithin promotes neural network complexity and activity.

    PubMed

    Latifi, Shahrzad; Tamayol, Ali; Habibey, Rouhollah; Sabzevari, Reza; Kahn, Cyril; Geny, David; Eftekharpour, Eftekhar; Annabi, Nasim; Blau, Axel; Linder, Michel; Arab-Tehrany, Elmira

    2016-01-01

    Phospholipids in the brain cell membranes contain different polyunsaturated fatty acids (PUFAs), which are critical to nervous system function and structure. In particular, brain function critically depends on the uptake of the so-called "essential" fatty acids such as omega-3 (n-3) and omega-6 (n-6) PUFAs that cannot be readily synthesized by the human body. We extracted natural lecithin rich in various PUFAs from a marine source and transformed it into nanoliposomes. These nanoliposomes increased neurite outgrowth, network complexity and neural activity of cortical rat neurons in vitro. We also observed an upregulation of synapsin I (SYN1), which supports the positive role of lecithin in synaptogenesis, synaptic development and maturation. These findings suggest that lecithin nanoliposomes enhance neuronal development, which may have an impact on devising new lecithin delivery strategies for therapeutic applications. PMID:27228907

  3. Natural lecithin promotes neural network complexity and activity

    PubMed Central

    Latifi, Shahrzad; Tamayol, Ali; Habibey, Rouhollah; Sabzevari, Reza; Kahn, Cyril; Geny, David; Eftekharpour, Eftekhar; Annabi, Nasim; Blau, Axel; Linder, Michel; Arab-Tehrany, Elmira

    2016-01-01

    Phospholipids in the brain cell membranes contain different polyunsaturated fatty acids (PUFAs), which are critical to nervous system function and structure. In particular, brain function critically depends on the uptake of the so-called “essential” fatty acids such as omega-3 (n-3) and omega-6 (n-6) PUFAs that cannot be readily synthesized by the human body. We extracted natural lecithin rich in various PUFAs from a marine source and transformed it into nanoliposomes. These nanoliposomes increased neurite outgrowth, network complexity and neural activity of cortical rat neurons in vitro. We also observed an upregulation of synapsin I (SYN1), which supports the positive role of lecithin in synaptogenesis, synaptic development and maturation. These findings suggest that lecithin nanoliposomes enhance neuronal development, which may have an impact on devising new lecithin delivery strategies for therapeutic applications. PMID:27228907

  4. Sphingosine Facilitates SNARE Complex Assembly and Activates Synaptic Vesicle Exocytosis

    PubMed Central

    Darios, Frédéric; Wasser, Catherine; Shakirzyanova, Anastasia; Giniatullin, Artur; Goodman, Kerry; Munoz-Bravo, Jose L.; Raingo, Jesica; Jorgačevski, Jernej; Kreft, Marko; Zorec, Robert; Rosa, Juliana M.; Gandia, Luis; Gutiérrez, Luis M.; Binz, Thomas; Giniatullin, Rashid; Kavalali, Ege T.; Davletov, Bazbek

    2009-01-01

    Summary Synaptic vesicles loaded with neurotransmitters fuse with the plasma membrane to release their content into the extracellular space, thereby allowing neuronal communication. The membrane fusion process is mediated by a conserved set of SNARE proteins: vesicular synaptobrevin and plasma membrane syntaxin and SNAP-25. Recent data suggest that the fusion process may be subject to regulation by local lipid metabolism. Here, we have performed a screen of lipid compounds to identify positive regulators of vesicular synaptobrevin. We show that sphingosine, a releasable backbone of sphingolipids, activates synaptobrevin in synaptic vesicles to form the SNARE complex implicated in membrane fusion. Consistent with the role of synaptobrevin in vesicle fusion, sphingosine upregulated exocytosis in isolated nerve terminals, neuromuscular junctions, neuroendocrine cells and hippocampal neurons, but not in neurons obtained from synaptobrevin-2 knockout mice. Further mechanistic insights suggest that sphingosine acts on the synaptobrevin/phospholipid interface, defining a novel function for this important lipid regulator. PMID:19524527

  5. Dinitrogen activation upon reduction of a triiron(II) complex.

    PubMed

    Lee, Yousoon; Sloane, Forrest T; Blondin, Geneviève; Abboud, Khalil A; García-Serres, Ricardo; Murray, Leslie J

    2015-01-26

    Reaction of a trinuclear iron(II) complex, Fe3 Br3 L (1), with KC8 under N2 leads to dinitrogen activation products (2) from which Fe3 (NH)3 L (2-1; L is a cyclophane bridged by three β-diketiminate arms) was characterized by X-ray crystallography. (1) H NMR spectra of the protonolysis product of 2 synthesized under (14) N2 and (15) N2 confirm atmospheric N2 reduction, and ammonia is detected by the indophenol assay (yield ∼30 %). IR and Mössbauer spectroscopy, and elemental analysis on 2 and 2-1 as well as the tri(amido)triiron(II) 3 and tri(methoxo)triiron 4 congeners support our assignment of the reduction product as containing protonated N-atom bridges. PMID:25504859

  6. 75 FR 77047 - Statement on Sound Practices Concerning Elevated Risk Complex Structured Finance Activities

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-10

    ... Finance Activities AGENCY: Office of Thrift Supervision (OTS), Treasury. ACTION: Notice and request for.... Title of Proposal: Statement on Sound Practices Concerning Elevated Risk Complex Structured Finance... Elevated Risk Complex Structured Finance Activities describes the types of internal controls and...

  7. Activating and Elucidating Metabolism of Complex Sugars in Yarrowia lipolytica.

    PubMed

    Ryu, Seunghyun; Hipp, Julie; Trinh, Cong T

    2016-02-01

    The oleaginous yeast Yarrowia lipolytica is an industrially important host for production of organic acids, oleochemicals, lipids, and proteins with broad biotechnological applications. Albeit known for decades, the unique native metabolism of Y. lipolytica for using complex fermentable sugars, which are abundant in lignocellulosic biomass, is poorly understood. In this study, we activated and elucidated the native sugar metabolism in Y. lipolytica for cell growth on xylose and cellobiose as well as their mixtures with glucose through comprehensive metabolic and transcriptomic analyses. We identified 7 putative glucose-specific transporters, 16 putative xylose-specific transporters, and 4 putative cellobiose-specific transporters that are transcriptionally upregulated for growth on respective single sugars. Y. lipolytica is capable of using xylose as a carbon source, but xylose dehydrogenase is the key bottleneck of xylose assimilation and is transcriptionally repressed by glucose. Y. lipolytica has a set of 5 extracellular and 6 intracellular β-glucosidases and is capable of assimilating cellobiose via extra- and intracellular mechanisms, the latter being dominant for growth on cellobiose as a sole carbon source. Strikingly, Y. lipolytica exhibited enhanced sugar utilization for growth in mixed sugars, with strong carbon catabolite activation for growth on the mixture of xylose and cellobiose and with mild carbon catabolite repression of glucose on xylose and cellobiose. The results of this study shed light on fundamental understanding of the complex native sugar metabolism of Y. lipolytica and will help guide inverse metabolic engineering of Y. lipolytica for enhanced conversion of biomass-derived fermentable sugars to chemicals and fuels. PMID:26682853

  8. Activating and Elucidating Metabolism of Complex Sugars in Yarrowia lipolytica

    PubMed Central

    Ryu, Seunghyun; Hipp, Julie

    2015-01-01

    The oleaginous yeast Yarrowia lipolytica is an industrially important host for production of organic acids, oleochemicals, lipids, and proteins with broad biotechnological applications. Albeit known for decades, the unique native metabolism of Y. lipolytica for using complex fermentable sugars, which are abundant in lignocellulosic biomass, is poorly understood. In this study, we activated and elucidated the native sugar metabolism in Y. lipolytica for cell growth on xylose and cellobiose as well as their mixtures with glucose through comprehensive metabolic and transcriptomic analyses. We identified 7 putative glucose-specific transporters, 16 putative xylose-specific transporters, and 4 putative cellobiose-specific transporters that are transcriptionally upregulated for growth on respective single sugars. Y. lipolytica is capable of using xylose as a carbon source, but xylose dehydrogenase is the key bottleneck of xylose assimilation and is transcriptionally repressed by glucose. Y. lipolytica has a set of 5 extracellular and 6 intracellular β-glucosidases and is capable of assimilating cellobiose via extra- and intracellular mechanisms, the latter being dominant for growth on cellobiose as a sole carbon source. Strikingly, Y. lipolytica exhibited enhanced sugar utilization for growth in mixed sugars, with strong carbon catabolite activation for growth on the mixture of xylose and cellobiose and with mild carbon catabolite repression of glucose on xylose and cellobiose. The results of this study shed light on fundamental understanding of the complex native sugar metabolism of Y. lipolytica and will help guide inverse metabolic engineering of Y. lipolytica for enhanced conversion of biomass-derived fermentable sugars to chemicals and fuels. PMID:26682853

  9. Antiherpetic activity of the traditionally used complex essential oil Olbas.

    PubMed

    Heidary Navid, M; Reichling, J; Schnitzler, P

    2013-08-01

    Essential oils of medicinal plants are increasingly of interest as novel drugs for antiherpetic agents, since herpes simplex virus (HSV) might develop resistance to commonly used antiviral drugs. The antiviral effect of Olbas, a traditionally used complex essential oil, and of cajuput oil, a major constitutent of Olbas, against HSV type 1 was examined. The antiviral activity of these essential oils was tested in vitro on monkey kidney cells using a plaque reduction assay. The 50% inhibitory concentration (IC50) of Olbas and cajuput oil for herpes simplex virus plaque formation was determined at 1.8 microg/ml and 7.5 microg/ml, respectively. At noncytotoxic concentrations of these oils, plaque formation was significantly reduced by 99% for Olbas and 66% for cajuput oil. The selectivity index of 150 for Olbas against herpes simplex virus was superior to a rather low selectivity index for cajuput oil. The mode of antiviral action of these essential oils was assessed by time-on-addition assays. Herpesvirus was significantly inhibited by pretreatment with Olbas essential oil prior to infection of cells. These results indicate that Olbas affected the virus before adsorption, but not after penetration into the host cell, thus Olbas exerted a direct antiviral effect on HSV. A clearly time-dependent antiviral activity for Olbas and cajuput oil could be demonstrated. Considering the lipophilic nature of the Olbas complex essential oil mixture, which enables it to penetrate the skin, and a high selectivity index, Olbas might be suitable for topical treatment of herpetic infections. PMID:24020128

  10. Complex of manganese (II) with curcumin: Spectroscopic characterization, DFT study, model-based analysis and antiradical activity

    NASA Astrophysics Data System (ADS)

    Gorgannezhad, Lena; Dehghan, Gholamreza; Ebrahimipour, S. Yousef; Naseri, Abdolhossein; Nazhad Dolatabadi, Jafar Ezzati

    2016-04-01

    The complex formation between curcumin (Cur) and Manganese (II) chloride tetrahydrate (MnCl2.4H2O) was studied by UV-Vis and IR spectroscopy. Spectroscopic data suggest that Cur can chelate Manganese cations. A simple multi-wavelength model-based method was used to define stability constant for complexation reaction regardless of the spectra overlapping of components. Also, pure spectra and concentration profiles of all components were extracted using this method. Density functional theory (DFT) was also used to view insight into complexation mechanism. Antioxidant activity of Cur and Cur-Mn(II) complex was evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) scavenging method. Bond dissociation energy (BDE), the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and Molecular electrostatic potential (MEP) of Cur and the complex also were calculated at PW91/TZ2P level of theory using ADF 2009.01 package. The experimental results show that Cur has a higher DPPH radical scavenging activity than Cur-Mn(II). This observation is theoretically justified by means of lower BDE and higher HOMO and LUMO energy values of Cur ligand as compared with those of Cur-Mn(II) complex.

  11. Determinants of physical activity based on the theory of planned behavior in Iranian Military Staff's Wives: a path analysis.

    PubMed

    Gholamnia Shirvani, Zeinab; Ghofranipour, Fazlollah; Gharakhanlou, Reza; Kazemnejad, Anoshirvan

    2015-01-01

    Level of physical activity as a key determinant of healthy lifestyle less than is required in individuals particularly women. Applying theories of behavioral change about complex behaviors such as physical activity leads to identify effective factors and their relations. The aim of this study was to determine predictors of physical activity behavior based on the Theory of Planned Behavior in military staff's wives in Tehran. This cross-sectional study was performed in 180 military personnel's spouses residing in organizational houses, in Tehran, Iran in 2014. The participants were randomly selected with multi-stage cluster sampling. The validity and reliability of the theory based scale evaluated before conducting the path analysis. Statistical analysis was carried out using SPSS16 and LISREL8.8. The results indicated the model explained 77% and 17% of intention and behavior variance. Subjective norms (Beta=0.83) and intention (Beta=0.37) were the strongest predictors of intention and behavior, respectively. The instrumental and affective attitude had no significant path to intention and behavior. The direct relation of perceived behavioral control to behavior was non-significant. This research demonstrated relative importance and relationships of Theory of Planned Behavior constructs in physical activity behavior of military personnel's spouses in Tehran. It is essential to consider these determinants in designing of educational interventions for promoting and maintaining physical activity behavior in this target group. PMID:25948459

  12. Metal-mediated reaction modeled on nature: the activation of isothiocyanates initiated by zinc thiolate complexes.

    PubMed

    Eger, Wilhelm A; Presselt, Martin; Jahn, Burkhard O; Schmitt, Michael; Popp, Jürgen; Anders, Ernst

    2011-04-18

    On the basis of detailed theoretical studies of the mode of action of carbonic anhydrase (CA) and models resembling only its reactive core, a complete computational pathway analysis of the reaction between several isothiocyanates and methyl mercaptan activated by a thiolate-bearing model complex [Zn(NH(3))(3)SMe](+) was performed at a high level of density functional theory (DFT). Furthermore, model reactions have been studied in the experiment using relatively stable zinc complexes and have been investigated by gas chromatography/mass spectrometry and Raman spectroscopy. The model complexes used in the experiment are based upon the well-known azamacrocyclic ligand family ([12]aneN(4), [14]aneN(4), i-[14]aneN(4), and [15]aneN(4)) and are commonly formulated as ([Zn([X]aneN(4))(SBn)]ClO(4). As predicted by our DFT calculations, all of these complexes are capable of insertion into the heterocumulene system. Raman spectroscopic investigations indicate that aryl-substituted isothiocyanates predominantly add to the C═N bond and that the size of the ring-shaped ligands of the zinc complex also has a very significant influence on the selectivity and on the reactivity as well. Unfortunately, the activated isothiocyanate is not able to add to the thiolate-corresponding mercaptan to invoke a CA analogous catalytic cycle. However, more reactive compounds such as methyl iodide can be incorporated. This work gives new insight into the mode of action and reaction path variants derived from the CA principles. Further, aspects of the reliability of DFT calculations concerning the prediction of the selectivity and reactivity are discussed. In addition, the presented synthetic pathways can offer a completely new access to a variety of dithiocarbamates. PMID:21405064

  13. Patterns of Neural Activity in Networks with Complex Connectivity

    NASA Astrophysics Data System (ADS)

    Solla, Sara A.

    2008-03-01

    An understanding of emergent dynamics on complex networks requires investigating the interplay between the intrinsic dynamics of the node elements and the connectivity of the network in which they are embedded. In order to address some of these questions in a specific scenario of relevance to the dynamical states of neural ensembles, we have studied the collective behavior of excitable model neurons in a network with small-world topology. The small-world network has local lattice order, but includes a number of randomly placed connections that may provide connectivity shortcuts. This topology bears a schematic resemblance to the connectivity of the cerebral cortex, in which neurons are most strongly coupled to nearby cells within fifty to a hundred micrometers, but also make projections to cells millimeters away. We find that the dynamics of this small-world network of excitable neurons depend mostly on both the density of shortcuts and the delay associated with neuronal projections. In the regime of low shortcut density, the system exhibits persistent activity in the form of propagating waves, which annihilate upon collision and are spawned anew via the re-injection of activity through shortcut connections. As the density of shortcuts reaches a critical value, the system undergoes a transition to failure. The critical shortcut density results from matching the time associated with a recurrent path through the network to an intrinsic recovery time of the individual neurons. Furthermore, if the delay associated with neuronal interactions is sufficiently long, activity reemerges above the critical density of shortcuts. The activity in this regime exhibits long, chaotic transients composed of noisy, large-amplitude population bursts.

  14. PERFORMANCE ASSESSMENT ASSISTANCE ACTIVITIES IN THE DOE COMPLEX

    SciTech Connect

    Seitz, R.

    2012-01-23

    The United States Department of Energy Office of Environmental Management (DOE-EM) has established a Performance Assessment Community of Practice (PA CoP) to foster the sharing of information among performance assessment (PA) and risk assessment practitioners, regulators and oversight personnel. The general intent is to contribute to continuous improvement in the consistency, technical adequacy and quality of implementation of PAs and risk assessments around the DOE Complex. The PA CoP activities have involved commercial disposal facilities and international participants to provide a global perspective. The PA CoP has also sponsored annual technical exchanges as a means to foster improved communication and to share lessons learned from on-going modelling activities. The PA CoP encourages activities to provide programmatic and technical assistance in the form of sharing experience and lessons learned with practitioners during the development of PAs and risk assessments. This assistance complements DOE-EM reviews through the Low-Level Waste Disposal Facility Federal Review Group (LFRG) that are conducted after modelling efforts are completed. Such up-front assistance is providing additional value in terms of improving consistency and sharing of information. There has been a substantial increase in the amount of assistance being provided. The assistance has been well received by practitioners and regulators that have been involved. The paper highlights assistance and sharing of information that has been conducted in the last two years to support activities underway in support of proposed disposal facilities at Paducah, Portsmouth, and the Idaho National Laboratory and tank closure at Hanford.

  15. Visibility graph analysis on quarterly macroeconomic series of China based on complex network theory

    NASA Astrophysics Data System (ADS)

    Wang, Na; Li, Dong; Wang, Qiwen

    2012-12-01

    The visibility graph approach and complex network theory provide a new insight into time series analysis. The inheritance of the visibility graph from the original time series was further explored in the paper. We found that degree distributions of visibility graphs extracted from Pseudo Brownian Motion series obtained by the Frequency Domain algorithm exhibit exponential behaviors, in which the exponential exponent is a binomial function of the Hurst index inherited in the time series. Our simulations presented that the quantitative relations between the Hurst indexes and the exponents of degree distribution function are different for different series and the visibility graph inherits some important features of the original time series. Further, we convert some quarterly macroeconomic series including the growth rates of value-added of three industry series and the growth rates of Gross Domestic Product series of China to graphs by the visibility algorithm and explore the topological properties of graphs associated from the four macroeconomic series, namely, the degree distribution and correlations, the clustering coefficient, the average path length, and community structure. Based on complex network analysis we find degree distributions of associated networks from the growth rates of value-added of three industry series are almost exponential and the degree distributions of associated networks from the growth rates of GDP series are scale free. We also discussed the assortativity and disassortativity of the four associated networks as they are related to the evolutionary process of the original macroeconomic series. All the constructed networks have “small-world” features. The community structures of associated networks suggest dynamic changes of the original macroeconomic series. We also detected the relationship among government policy changes, community structures of associated networks and macroeconomic dynamics. We find great influences of government

  16. The complexity of managing COPD exacerbations: a grounded theory study of European general practice

    PubMed Central

    Risør, Mette Bech; Spigt, Mark; Iversen, R; Godycki-Cwirko, M; Francis, N; Altiner, A; Andreeva, E; Kung, K; Melbye, H

    2013-01-01

    Objectives To understand the concerns and challenges faced by general practitioners (GPs) and respiratory physicians about primary care management of acute exacerbations in patients with chronic obstructive pulmonary disease (COPD). Design 21 focus group discussions (FGDs) were performed in seven countries with a Grounded Theory approach. Each country performed three rounds of FGDs. Setting Primary and secondary care in Norway, Germany, Wales, Poland, Russia, The Netherlands, China (Hong Kong). Participants 142 GPs and respiratory physicians were chosen to include urban and rural GPs as well as hospital-based and out patient-clinic respiratory physicians. Results Management of acute COPD exacerbations is dealt with within a scope of concerns. These concerns range from ‘dealing with comorbidity’ through ‘having difficult patients’ to ‘confronting a hopeless disease’. The first concern displays medical uncertainty regarding diagnosis, medication and hospitalisation. These clinical processes become blurred by comorbidity and the social context of the patient. The second concern shows how patients receive the label ‘difficult’ exactly because they need complex attention, but even more because they are time consuming, do not take responsibility and are non-compliant. The third concern relates to the emotional reactions by the physicians when confronted with ‘a hopeless disease’ due to the fact that most of the patients do not improve and the treatment slows down the process at best. GPs and respiratory physicians balance these concerns with medical knowledge and practical, situational knowledge, trying to encompass the complexity of a medical condition. Conclusions Knowing the patient is essential when dealing with comorbidities as well as with difficult relations in the consultations on exacerbations. This study suggests that it is crucial to improve the collaboration between primary and secondary care, in terms of, for example, shared consultations

  17. Complex Network Theory Applied to the Growth of Kuala Lumpur's Public Urban Rail Transit Network.

    PubMed

    Ding, Rui; Ujang, Norsidah; Hamid, Hussain Bin; Wu, Jianjun

    2015-01-01

    Recently, the number of studies involving complex network applications in transportation has increased steadily as scholars from various fields analyze traffic networks. Nonetheless, research on rail network growth is relatively rare. This research examines the evolution of the Public Urban Rail Transit Networks of Kuala Lumpur (PURTNoKL) based on complex network theory and covers both the topological structure of the rail system and future trends in network growth. In addition, network performance when facing different attack strategies is also assessed. Three topological network characteristics are considered: connections, clustering and centrality. In PURTNoKL, we found that the total number of nodes and edges exhibit a linear relationship and that the average degree stays within the interval [2.0488, 2.6774] with heavy-tailed distributions. The evolutionary process shows that the cumulative probability distribution (CPD) of degree and the average shortest path length show good fit with exponential distribution and normal distribution, respectively. Moreover, PURTNoKL exhibits clear cluster characteristics; most of the nodes have a 2-core value, and the CPDs of the centrality's closeness and betweenness follow a normal distribution function and an exponential distribution, respectively. Finally, we discuss four different types of network growth styles and the line extension process, which reveal that the rail network's growth is likely based on the nodes with the biggest lengths of the shortest path and that network protection should emphasize those nodes with the largest degrees and the highest betweenness values. This research may enhance the networkability of the rail system and better shape the future growth of public rail networks. PMID:26448645

  18. Transition metal complexes of neocryptolepine analogues. Part I: Synthesis, spectroscopic characterization, and invitro anticancer activity of copper(II) complexes

    NASA Astrophysics Data System (ADS)

    Emam, Sanaa Moustafa; El Sayed, Ibrahim El Tantawy; Nassar, Nagla

    2015-03-01

    New generation of copper(II) complexes with aminoalkylaminoneocryptolepine as bidentate ligands has been synthesized and it is characterized by elemental analyses, magnetic moment, spectra (IR, UV-Vis, 1H NMR and ESR) and thermal studies. The IR data suggest the coordination modes for ligands which behave as a bidentate with copper(II) ion. Based on the elemental analysis, magnetic studies, electronic and ESR data, binuclear square planar geometry was proposed for complexes 7a, 7b, square pyramidal for 9a, 9b and octahedral for 8a, 8b, 10a, 10b. The molar conductance in DMF solution indicates that all complexes are electrolyte except 7a and 7b. The ESR spectra of solid copper(II) complexes in powder form showed an axial symmetry with 2B1g as a ground state and hyperfine structure. The thermal stability and degradation of the ligands and their metal complexes were studied employing DTA and TG methods. The metal-free ligands and their copper(II) complexes were tested for their in vitro anticancer activity against human colon carcinoma (HT-29). The results showed that the synthesized copper(II) complexes exhibited higher anticancer activity than their free ligands. Of all the studied copper(II) complexes, the bromo-substituted complex 9b exhibited high anticancer activity at low micromolar inhibitory concentrations (IC50 = 0.58 μM), compared to the other complexes and the free ligands.

  19. Active Learning for Directed Exploration of Complex Systems

    NASA Technical Reports Server (NTRS)

    Burl, Michael C.; Wang, Esther

    2009-01-01

    Physics-based simulation codes are widely used in science and engineering to model complex systems that would be infeasible to study otherwise. Such codes provide the highest-fidelity representation of system behavior, but are often so slow to run that insight into the system is limited. For example, conducting an exhaustive sweep over a d-dimensional input parameter space with k-steps along each dimension requires k(sup d) simulation trials (translating into k(sup d) CPU-days for one of our current simulations). An alternative is directed exploration in which the next simulation trials are cleverly chosen at each step. Given the results of previous trials, supervised learning techniques (SVM, KDE, GP) are applied to build up simplified predictive models of system behavior. These models are then used within an active learning framework to identify the most valuable trials to run next. Several active learning strategies are examined including a recently-proposed information-theoretic approach. Performance is evaluated on a set of thirteen synthetic oracles, which serve as surrogates for the more expensive simulations and enable the experiments to be replicated by other researchers.

  20. Bioengineered nisin derivatives with enhanced activity in complex matrices.

    PubMed

    Rouse, Susan; Field, Des; Daly, Karen M; O'Connor, Paula M; Cotter, Paul D; Hill, Colin; Ross, R Paul

    2012-07-01

    Nisin A is the best known and most extensively characterized lantibiotic. As it is ribosomally synthesized, bioengineering-based strategies can be used to generate variants. We have previously demonstrated that bioengineering of the hinge region of nisin A can result in the generation of variants with enhanced anti-microbial activity against Gram-positive pathogens. Here we created a larger bank of hinge variant producers and screened for producers that exhibit enhanced bioactivity as assessed by agar-based assays against a selection of target strains. Further analysis of 12 'lead' variants reveals that in many cases enhanced bioactivity is not attributable to enhanced specific activity but is instead as a consequence of an enhanced ability to diffuse through complex polymers. In the case of two variants, which contain the residues SVA and NAK, respectively, within the hinge region, we demonstrate that this enhanced trait enables the peptides to dramatically outperform nisin A with respect to controlling Listeria monocytogenes in commercially produced chocolate milk that contains carrageenan as a stabilizer. PMID:22260415

  1. Application of decision-making theory to the regulation of muscular work rate during self-paced competitive endurance activity.

    PubMed

    Renfree, Andrew; Martin, Louise; Micklewright, Dominic; St Clair Gibson, Alan

    2014-02-01

    Successful participation in competitive endurance activities requires continual regulation of muscular work rate in order to maximise physiological performance capacities, meaning that individuals must make numerous decisions with regards to the muscular work rate selected at any point in time. Decisions relating to the setting of appropriate goals and the overall strategic approach to be utilised are made prior to the commencement of an event, whereas tactical decisions are made during the event itself. This review examines current theories of decision-making in an attempt to explain the manner in which regulation of muscular work is achieved during athletic activity. We describe rational and heuristic theories, and relate these to current models of regulatory processes during self-paced exercise in an attempt to explain observations made in both laboratory and competitive environments. Additionally, we use rational and heuristic theories in an attempt to explain the influence of the presence of direct competitors on the quality of the decisions made during these activities. We hypothesise that although both rational and heuristic models can plausibly explain many observed behaviours in competitive endurance activities, the complexity of the environment in which such activities occur would imply that effective rational decision-making is unlikely. However, at present, many proposed models of the regulatory process share similarities with rational models. We suggest enhanced understanding of the decision-making process during self-paced activities is crucial in order to improve the ability to understand regulation of performance and performance outcomes during athletic activity. PMID:24113898

  2. ON MAGNETIC ACTIVITY BAND OVERLAP, INTERACTION, AND THE FORMATION OF COMPLEX SOLAR ACTIVE REGIONS

    SciTech Connect

    McIntosh, Scott W.; Leamon, Robert J.

    2014-11-20

    Recent work has revealed a phenomenological picture of the how the ∼11 yr sunspot cycle of the Sun arises. The production and destruction of sunspots is a consequence of the latitudinal-temporal overlap and interaction of the toroidal magnetic flux systems that belong to the 22 yr magnetic activity cycle and are rooted deep in the Sun's convective interior. We present a conceptually simple extension of this work, presenting a hypothesis on how complex active regions can form as a direct consequence of the intra- and extra-hemispheric interaction taking place in the solar interior. Furthermore, during specific portions of the sunspot cycle, we anticipate that those complex active regions may be particularly susceptible to profoundly catastrophic breakdown, producing flares and coronal mass ejections of the most severe magnitude.

  3. The (kinetic) theory of active particles applied to learning dynamics. Comment on "Collective learning modeling based on the kinetic theory of active particles" by D. Burini et al.

    NASA Astrophysics Data System (ADS)

    Nieto, J.

    2016-03-01

    The learning phenomena, their complexity, concepts, structure, suitable theories and models, have been extensively treated in the mathematical literature in the last century, and [4] contains a very good introduction to the literature describing the many approaches and lines of research developed about them. Two main schools have to be pointed out [5] in order to understand the two -not exclusive- kinds of existing models: the stimulus sampling models and the stochastic learning models. Also [6] should be mentioned as a survey where two methods of learning are pointed out, the cognitive and the social, and where the knowledge looks like a mathematical unknown. Finally, as the authors do, we refer to the works [9,10], where the concept of population thinking was introduced and which motivate the game theory rules as a tool (both included in [4] to develop their theory) and [7], where the ideas of developing a mathematical kinetic theory of perception and learning were proposed.

  4. Expanding the Foci of Activity Theory: Accessing the Broader Contexts and Experiences of Mathematics Education Reform

    ERIC Educational Resources Information Center

    Venkat, Hamsa; Adler, Jill

    2008-01-01

    In this paper, we consider our use of activity theory to examine empirical data from a study of reform in England--the implementation of the mathematics strand of the Key Stage 3 Strategy in two schools. Our concerns are largely methodological--we consider the aspects of reform that more traditional activity theory methods and foci were able to…

  5. Divisions of Labour: Activity Theory, Multi-Professional Working and Intervention Research

    ERIC Educational Resources Information Center

    Warmington, Paul

    2011-01-01

    This article draws upon, but also critiques, activity theory by combining analysis of how an activity theory derived research intervention attempted to address both everyday work practices and organisational power relationships among children's services professionals. It offers two case studies of developmental work research (DWR) interventions in…

  6. Online Asynchronous Threaded Discussions: Good Enough to Advance Students through the Proximal Zone of Activity Theory?

    ERIC Educational Resources Information Center

    Maurino, Paula San Millan

    2007-01-01

    This paper presents a study which involved researching student interaction and participation under the lens of Activity Theory and Social Computing. Activity Theory is a philosophical framework that integrates the objective, the sociocultural, and the ecological, while Social Computing describes any type of computing application in which software…

  7. Multiresolution transmission of the correlation modes between bivariate time series based on complex network theory

    NASA Astrophysics Data System (ADS)

    Huang, Xuan; An, Haizhong; Gao, Xiangyun; Hao, Xiaoqing; Liu, Pengpeng

    2015-06-01

    This study introduces an approach to study the multiscale transmission characteristics of the correlation modes between bivariate time series. The correlation between the bivariate time series fluctuates over time. The transmission among the correlation modes exhibits a multiscale phenomenon, which provides richer information. To investigate the multiscale transmission of the correlation modes, this paper describes a hybrid model integrating wavelet analysis and complex network theory to decompose and reconstruct the original bivariate time series into sequences in a joint time-frequency domain and defined the correlation modes at each time-frequency domain. We chose the crude oil spot and futures prices as the sample data. The empirical results indicate that the main duration of volatility (32-64 days) for the strongly positive correlation between the crude oil spot price and the futures price provides more useful information for investors. Moreover, the weighted degree, weighted indegree and weighted outdegree of the correlation modes follow power-law distributions. The correlation fluctuation strengthens the extent of persistence over the long term, whereas persistence weakens over the short and medium term. The primary correlation modes dominating the transmission process and the major intermediary modes in the transmission process are clustered both in the short and long term.

  8. Hydration of gas-phase ytterbium ion complexes studied by experiment and theory

    SciTech Connect

    Rutkowski, Philip X; Michelini, Maria C.; Bray, Travis H.; Russo, Nino; Marcalo, Joaquim; Gibson, John K.

    2011-02-11

    Hydration of ytterbium (III) halide/hydroxide ions produced by electrospray ionization was studied in a quadrupole ion trap mass spectrometer and by density functional theory (DFT). Gas-phase YbX{sub 2}{sup +} and YbX(OH){sup +} (X = OH, Cl, Br, or I) were found to coordinate from one to four water molecules, depending on the ion residence time in the trap. From the time dependence of the hydration steps, relative reaction rates were obtained. It was determined that the second hydration was faster than both the first and third hydrations, and the fourth hydration was the slowest; this ordering reflects a combination of insufficient degrees of freedom for cooling the hot monohydrate ion and decreasing binding energies with increasing hydration number. Hydration energetics and hydrate structures were computed using two approaches of DFT. The relativistic scalar ZORA approach was used with the PBE functional and all-electron TZ2P basis sets; the B3LYP functional was used with the Stuttgart relativistic small-core ANO/ECP basis sets. The parallel experimental and computational results illuminate fundamental aspects of hydration of f-element ion complexes. The experimental observations - kinetics and extent of hydration - are discussed in relationship to the computed structures and energetics of the hydrates. The absence of pentahydrates is in accord with the DFT results, which indicate that the lowest energy structures have the fifth water molecule in the second shell.

  9. Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory.

    PubMed

    Das, Gayatri; Gnan, Nicoletta; Sciortino, Francesco; Zaccarelli, Emanuela

    2013-04-01

    We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the square shoulder model, a purely repulsive potential where the hardcore is complemented by a finite shoulder. For the one-component version of this model, MCT predicted [Sperl et al., Phys. Rev. Lett. 104, 145701 (2010)] the presence of diffusion anomalies both upon cooling and upon compression and the occurrence of glass-glass transitions. In the simulations, we focus on a non-crystallising binary mixture, which, at the investigated shoulder width, shows a non-monotonic behaviour of the diffusion upon cooling but not upon isothermal compression. In addition, we find the presence of a disconnected glass-glass line in the phase diagram, ending in two higher order singularities. These points generate a logarithmic dependence of the density correlators as well as a subdiffusive behaviour of the mean squared displacement, although with the interference of the nearby liquid-glass transition. We also perform novel MCT calculations using as input the partial structure factors obtained within MD, confirming the simulation results. The presence of two hard sphere glasses, differing only in their hardcore length, is revealed, showing that the simple competition between the two is sufficient for creating a rather complex dynamical behaviour. PMID:23574238

  10. Theory and application of a three-dimensional code SHAPS to complex piping systems. [LMFBR

    SciTech Connect

    Wang, C.Y.

    1983-01-01

    This paper describes the theory and application of a three-dimensional computer code SHAPS to the complex piping systems. The code utilizes a two-dimensional implicit Eulerian method for the hydrodynamic analysis together with a three-dimensional elastic-plastic finite-element program for the structural calculation. A three-dimensional pipe element with eight degrees of freedom is employed to account for the hoop, flexural, axial, and the torsional mode of the piping system. In the SHAPS analysis the hydrodynamic equations are modified to include the global piping motion. Coupling between fluid and structure is achieved by enforcing the free-slip boundary conditions. Also, the response of the piping network generated by the seismic excitation can be included. A thermal transient capability is also provided in SHAPS. To illustrate the methodology, many sample problems dealing with the hydrodynamic, structural, and thermal analyses of reactor-piping systems are given. Validation of the SHAPS code with experimental data is also presented.

  11. Dynamic Systems (Complexity) theory as a new conceptual model for researching PBL in dental education.

    PubMed

    Townsend, G C; Kim, M; Sankey, D

    2012-02-01

    Although problem-based learning (PBL) was introduced into dental education some 20 years ago, there have been relatively few well-designed studies carried out to clarify whether, how or why it works in a dental context. This paper introduces the Dynamic Systems (Complexity) theory as a new and potentially productive theoretical framework for researching PBL in dental education. This framework emphasises the importance of emergent self-organisation, perception and brain plasticity in learning. In this paper, a brief overview of the history of PBL in dentistry is presented and then the fundamentals of a Dynamic Systems Approach (DSA) are explained, drawing on two recently published papers advocating the DSA in medical education and teacher education. We focus on three key points related to this new approach: emergent self-organisation rather than simple construction of knowledge; the notion that perception drives the learning process; and the brain as the substrate of all learning. The paper also suggests how the DSA can help us move forward, both in terms of the future application of PBL in dental education and also in relation to posing new types of research questions. PMID:22251326

  12. NMR Properties of Platinum --Thallium Bonded Complexes. Analysis of Relativistic Density Functional Theory Results

    SciTech Connect

    LeGuennic, Boris; Matsumoto, Kazuko; Autschbach, Jochen

    2004-08-26

    A portion of the following research was conducted at EMSL. The metal NMR parameters of the complexes [(NC)5Pt–Tl(CN)n]n- (n = 0–3, I–IV) and [(NC)5Pt–Tl–Pt(CN)5]3- (V), as well as [fPt(NO3)(NH3)2L2gTl(NO3)2(MeOH)] (VI) and [fPt(NO3)(NH3)2L2g2Tl]+ (VII) with L =NHCOtBu,were computationally investigated by relativistic density functional theory. Complexes I–V were previously studied by us. We briefly review the main findings here. Their spin–spin coupling constants are analyzed in terms ofmolecular orbital and fragment orbital contributions which demonstrate the various influences of the solvent and of the ligands on the extraordinarily large metal–metal coupling constants. Complexes VI and VII and various model systems were investigated in more detail. It is shown that the same computational model which performs best for I–V yields too large metal–metal coupling constants for VI and VII. The analysis shows that this is likely to be attributable to a strong sensitivity of the coupling constants to the rather small Pt 6s contributions in the occupied metal–metal s-bonding orbitals. Bulk solvent effects on the metal–metal couplings are sizeable and should be considered in the computational model. Both calculated and experimental Pt–Tl coupling constants for VI and VII are substantially larger than those for I–V, thereby representing the largest heteronuclear coupling constants known so far experimentally. Metal chemical shifts for VI and VII were also investigated. The computational results indicate that the choice of the Pt reference is rather problematic. Tl chemical shifts agree much better with experimental data.

  13. Blogs and Social Network Sites as Activity Systems: Exploring Adult Informal Learning Process through Activity Theory Framework

    ERIC Educational Resources Information Center

    Heo, Gyeong Mi; Lee, Romee

    2013-01-01

    This paper uses an Activity Theory framework to explore adult user activities and informal learning processes as reflected in their blogs and social network sites (SNS). Using the assumption that a web-based space is an activity system in which learning occurs, typical features of the components were investigated and each activity system then…

  14. Recognition and Repair of Communicative Failures: The Interaction between Theory of Mind and Cognitive Complexity in Schizophrenic Patients

    ERIC Educational Resources Information Center

    Bosco, Francesca M.; Bono, Adele; Bara, Bruno G.

    2012-01-01

    The aim of the present research is to perform a detailed and empirical investigation of schizophrenia patients' deficits in recognizing and recovering a communicative failure. In particular, this paper investigates the role of Theory of Mind (ToM) and of the complexity of the mental representations involved in explaining patients' deficits in…

  15. A Theory of Intelligence: I. Span and the Complexity of Stimulus Control

    ERIC Educational Resources Information Center

    Bachelder, Bruce L.; Denny, M. Ray

    1977-01-01

    Reviewed in the paper are theories and concepts about intelligence, and proposed is a theory set forth in stimulus-response terminology. Available from: Ablex Publishing Corporation, 355 Chestnut Street, Norwood, New Jersey 07648. (CL)

  16. Towards a differentiated understanding of active travel behaviour: Using social theory to explore everyday commuting

    PubMed Central

    Guell, C.; Panter, J.; Jones, N.R.; Ogilvie, D.

    2012-01-01

    Fostering physical activity is an established public health priority for the primary prevention of a variety of chronic diseases. One promising population approach is to seek to embed physical activity in everyday lives by promoting walking and cycling to and from work (‘active commuting’) as an alternative to driving. Predominantly quantitative epidemiological studies have investigated travel behaviours, their determinants and how they may be changed towards more active choices. This study aimed to depart from narrow behavioural approaches to travel and investigate the social context of commuting with qualitative social research methods. Within a social practice theory framework, we explored how people describe their commuting experiences and make commuting decisions, and how travel behaviour is embedded in and shaped by commuters' complex social worlds. Forty-nine semi-structured interviews and eighteen photo-elicitation interviews with accompanying field notes were conducted with a subset of the Commuting and Health in Cambridge study cohort, based in the UK. The findings are discussed in terms of three particularly pertinent facets of the commuting experience. Firstly, choice and decisions are shaped by the constantly changing and fluid nature of commuters' social worlds. Secondly, participants express ambiguities in relation to their reasoning, ambitions and identities as commuters. Finally, commuting needs to be understood as an embodied and emotional practice. With this in mind, we suggest that everyday decision-making in commuting requires the tactical negotiation of these complexities. This study can help to explain the limitations of more quantitative and static models and frameworks in predicting travel behaviour and identify future research directions. PMID:22486840

  17. High resolution studies of complex solar active regions

    NASA Astrophysics Data System (ADS)

    Deng, Na

    Flares and Coronal Mass Ejections (CMEs) are energetic events, which can even impact the near-Earth environment and are the principal source of space weather. Most of them originate in solar active regions. The most violent events are produced in sunspots with a complex magnetic field topology. Studying their morphology and dynamics is helpful in understanding the energy accumulation and release mechanisms for flares and CMEs, which are intriguing problems in solar physics. The study of complex active regions is based on high-resolution observations from space missions and new instruments at the Big Bear Solar Observatory (BBSO). Adaptive optics (AO) in combination with image restoration techniques (speckle masking imaging) can achieve improved image quality and a spatial resolution (about 100 km on the solar surface) close to the diffraction limit of BBSO's 65 cm vacuum telescope. Dopplergrams obtained with a two-dimensional imaging spectrometer combined with horizontal flow maps derived with Local Correlation Tracking (LCT) provide precise measurements of the three-dimensional velocity field in sunspots. Magnetic field measurements from ground- and space-based instruments complement these data. At the outset of this study, the evolution and morphology of a typical round sunspot are described in some detail. The sunspot was followed from disk center to the limb, thus providing some insight into the geometry of the magnetic flux system. Having established a benchmark for a stable sunspot, the attention is turned to changes of the sunspot structure associated with flares and CMEs. Rapid penumbral decay and the strengthening of sunspot umbrae are manifestations of photospheric magnetic field changes after a flare. These sudden intensity changes are interpreted as a result of magnetic reconnection during the flare, which causes the magnetic field lines to be turned from more inclined to more vertical. Strong photospheric shear flows along the flaring magnetic

  18. Deconstructing dementia and delirium hospital practice: using cultural historical activity theory to inform education approaches.

    PubMed

    Teodorczuk, Andrew; Mukaetova-Ladinska, Elizabeta; Corbett, Sally; Welfare, Mark

    2015-08-01

    identified. Cultural historical activity theory can be used to advance understanding of practice gaps in order to develop a broader transformative approach to dementia and delirium practice and education. Structural changes at an individual, team and systems level resulting from this novel understanding of practice complexity are proposed. Contradictions can be used as foci for expansive learning. Lastly, interprofessional education (formal and informal) is advocated to further knotwork and improve the care of the older confused patient. PMID:25354660

  19. [I. P. Pavlov's theory on higher nervous activity: the landmarks and trends in its development].

    PubMed

    Chilingarian, L I

    1999-01-01

    The theory of higher nervous activity created in Pavlovian time is compared with the present-day state of the theory developing due to appearance of new methods, techniques, facts, and concepts. Three principles of Pavlovian theory: determinism; analysis and synthesis; structural approach, as well s types of conditioned reflexes and techniques, types of higher nervous activity, and inhibition problems are discussed. The theory of higher nervous activity is schematically depicted as a tree, some branches of which are presented by facts and concepts obtained and introduced by I.P. Pavlov and his followers during his life, the others are formed by new facts and concepts advancing the theory. What is obsolete in the theory, what are the most prominent tendencies of its development and its new branches are discussed. PMID:10693269

  20. INCORPORATING ROUTINE ACTIVITIES, ACTIVITY SPACES, AND SITUATIONAL DEFINITIONS INTO THE SOCIAL SCHEMATIC THEORY OF CRIME*

    PubMed Central

    BARR, ASHLEY B.; LEI, MAN-KIT; STEWART, ERIC

    2014-01-01

    Simons and Burt’s (2011) social schematic theory (SST) of crime posits that adverse social factors are associated with offending because they promote a set of social schemas (i.e., a criminogenic knowledge structure) that elevates the probability of situational definitions favorable to crime. This study extends the SST model by incorporating the role of contexts for action. Furthermore, the study advances tests of the SST by incorporating a measure of criminogenic situational definitions to assess whether such definitions mediate the effects of schemas and contexts on crime. Structural equation models using 10 years of panel data from 582 African American youth provided strong support for the expanded theory. The results suggest that childhood and adolescent social adversity fosters a criminogenic knowledge structure as well as selection into criminogenic activity spaces and risky activities, all of which increase the likelihood of offending largely through situational definitions. Additionally, evidence shows that the criminogenic knowledge structure interacts with settings to amplify the likelihood of situational definitions favorable to crime. PMID:26392633

  1. Structure-activity relationship for Fe(III)-salen-like complexes as potent anticancer agents.

    PubMed

    Ghanbari, Zahra; Housaindokht, Mohammad R; Izadyar, Mohammad; Bozorgmehr, Mohammad R; Eshtiagh-Hosseini, Hossein; Bahrami, Ahmad R; Matin, Maryam M; Khoshkholgh, Maliheh Javan

    2014-01-01

    Quantitative structure activity relationship (QSAR) for the anticancer activity of Fe(III)-salen and salen-like complexes was studied. The methods of density function theory (B3LYP/LANL2DZ) were used to optimize the structures. A pool of descriptors was calculated: 1497 theoretical descriptors and quantum-chemical parameters, shielding NMR, and electronic descriptors. The study of structure and activity relationship was performed with multiple linear regression (MLR) and artificial neural network (ANN). In nonlinear method, the adaptive neuro-fuzzy inference system (ANFIS) was applied in order to choose the most effective descriptors. The ANN-ANFIS model with high statistical significance (R (2) train = 0.99, RMSE = 0.138, and Q (2) LOO = 0.82) has better capability to predict the anticancer activity of the new compounds series of this family. Based on this study, anticancer activity of this compound is mainly dependent on the geometrical parameters, position, and the nature of the substituent of salen ligand. PMID:24955417

  2. Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents

    PubMed Central

    Ghanbari, Zahra; Housaindokht, Mohammad R.; Izadyar, Mohammad; Bozorgmehr, Mohammad R.; Eshtiagh-Hosseini, Hossein; Bahrami, Ahmad R.; Matin, Maryam M.; Khoshkholgh, Maliheh Javan

    2014-01-01

    Quantitative structure activity relationship (QSAR) for the anticancer activity of Fe(III)-salen and salen-like complexes was studied. The methods of density function theory (B3LYP/LANL2DZ) were used to optimize the structures. A pool of descriptors was calculated: 1497 theoretical descriptors and quantum-chemical parameters, shielding NMR, and electronic descriptors. The study of structure and activity relationship was performed with multiple linear regression (MLR) and artificial neural network (ANN). In nonlinear method, the adaptive neuro-fuzzy inference system (ANFIS) was applied in order to choose the most effective descriptors. The ANN-ANFIS model with high statistical significance (R2train = 0.99, RMSE = 0.138, and Q2LOO = 0.82) has better capability to predict the anticancer activity of the new compounds series of this family. Based on this study, anticancer activity of this compound is mainly dependent on the geometrical parameters, position, and the nature of the substituent of salen ligand. PMID:24955417

  3. Complexation study and anticellular activity enhancement by doxorubicin-cyclodextrin complexes on a multidrug-resistant adenocarcinoma cell line.

    PubMed

    Al-Omar, A; Abdou, S; De Robertis, L; Marsura, A; Finance, C

    1999-04-19

    Ability of molecular complexes of [Doxorubicin (DX)-cyclodextrin (Cd)] to enhance the anticellular activity of antineoplastic drug Doxorubicin and to reverse its multidrug resistance has been investigated. A spectroscopic study of the alpha, beta, and gamma-[DX-Cds] complexes has been investigated in relation to their biological effects on a multidrug resistant (MDR) human rectal adenocarcinoma cell line (HRT-18). A ten fold enhancement of DX anticellular activity in presence of beta-cyclodextrin alone was detected. PMID:10328296

  4. Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues.

    PubMed

    Funk, Alexander M; Harvey, Peter; Finney, Katie-Louise N A; Fox, Mark A; Kenwright, Alan M; Rogers, Nicola J; Senanayake, P Kanthi; Parker, David

    2015-07-01

    Measurements of the proton NMR paramagnetic relaxation rates for several series of isostructural lanthanide(III) complexes have been performed in aqueous solution over the field range 1.0 to 16.5 Tesla. The field dependence has been modeled using Bloch-Redfield-Wangsness theory, allowing values for the electronic relaxation time, Tle and the magnetic susceptibility, μeff, to be estimated. Anomalous relaxation rate profiles were obtained, notably for erbium and thulium complexes of low symmetry 8-coordinate aza-phosphinate complexes. Such behaviour challenges accepted theory and can be interpreted in terms of changes in Tle values that are a function of the transient ligand field induced by solvent collision and vary considerably between Ln(3+) ions, along with magnetic susceptibilities that deviate significantly from free-ion values. PMID:26051749

  5. Active Learning with Monty Hall in a Game Theory Class

    ERIC Educational Resources Information Center

    Brokaw, Alan J.; Merz, Thomas E.

    2004-01-01

    The authors describe a game that students can play on the first day of a game theory class. The game introduces the 4 essential elements of any game and is designed so that its sequel, also played on the first day of class, has students playing the well-known Monty Hall game, which raises the question: Should you switch doors? By implementing a…

  6. Do Differences in Brain Activation Challenge Universal Theories of Dyslexia?

    ERIC Educational Resources Information Center

    Ziegler, Johannes C.

    2006-01-01

    It has been commonly agreed that developmental dyslexia in different languages has a common biological origin: a dysfunction of left posterior temporal brain regions dealing with phonological processes. Siok, Perfetti, Jin, and Tan (2004, "Nature," 431, 71-76) challenge this biological unity theory of dyslexia: Chinese dyslexics show no deficits…

  7. Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex.

    PubMed

    Dhuri, Sunder N; Cho, Kyung-Bin; Lee, Yong-Min; Shin, Sun Young; Kim, Jin Hwa; Mandal, Debasish; Shaik, Sason; Nam, Wonwoo

    2015-07-01

    A comprehensive experimental and theoretical study of the reactivity patterns and reaction mechanisms in alkane hydroxylation, olefin epoxidation, cyclohexene oxidation, and sulfoxidation reactions by a mononuclear nonheme ruthenium(IV)-oxo complex, [Ru(IV)(O)(terpy)(bpm)](2+) (1), has been conducted. In alkane hydroxylation (i.e., oxygen rebound vs oxygen non-rebound mechanisms), both the experimental and theoretical results show that the substrate radical formed via a rate-determining H atom abstraction of alkanes by 1 prefers dissociation over oxygen rebound and desaturation processes. In the oxidation of olefins by 1, the observations of a kinetic isotope effect (KIE) value of 1 and styrene oxide formation lead us to conclude that an epoxidation reaction via oxygen atom transfer (OAT) from the Ru(IV)O complex to the C═C double bond is the dominant pathway. Density functional theory (DFT) calculations show that the epoxidation reaction is a two-step, two-spin-state process. In contrast, the oxidation of cyclohexene by 1 affords products derived from allylic C-H bond oxidation, with a high KIE value of 38(3). The preference for H atom abstraction over C═C double bond epoxidation in the oxidation of cyclohexene by 1 is elucidated by DFT calculations, which show that the energy barrier for C-H activation is 4.5 kcal mol(-1) lower than the energy barrier for epoxidation. In the oxidation of sulfides, sulfoxidation by the electrophilic Ru-oxo group of 1 occurs via a direct OAT mechanism, and DFT calculations show that this is a two-spin-state reaction in which the transition state is the lowest in the S = 0 state. PMID:26075466

  8. Activation of cutaneous immune responses in complex regional pain syndrome

    PubMed Central

    Birklein, Frank; Drummond, Peter D.; Li, Wenwu; Schlereth, Tanja; Albrecht, Nahid; Finch, Philip M.; Dawson, Linda F.; Clark, J. David; Kingery, Wade S.

    2014-01-01

    The pathogenesis of complex regional pain syndrome (CRPS) is unresolved, but TNF-α and IL-6 are elevated in experimental skin blister fluid from CRPS affected limbs, as is tryptase, a marker for mast cells. In the rat fracture model of CRPS exaggerated sensory and sympathetic neural signaling stimulate keratinocyte and mast cell proliferation, causing the local production of high levels of inflammatory cytokines leading to pain behavior. The current investigation used CRPS patient skin biopsies to determine whether keratinocyte and mast cell proliferation occur in CRPS skin and to identify the cellular source of the up-regulated TNF-α, IL-6, and tryptase observed in CRPS experimental skin blister fluid. Skin biopsies were collected from the affected skin and the contralateral mirror site in 55 CRPS patients and the biopsy sections were immunostained for keratinocyte, cell proliferation, mast cell markers, TNF-α, and IL-6. In early CRPS keratinocytes were activated in the affected skin, resulting in proliferation, epidermal thickening, and up-regulated TNF-α and IL-6 expression. In chronic CRPS there was reduced keratinocyte proliferation with epidermal thinning in the affected skin. Acute CRPS patients also had increased mast cell accumulation in the affected skin, but there was no increase in mast cell numbers in chronic CRPS. PMID:24462502

  9. Aminoglycoside activity observed on single pre-translocation ribosome complexes

    PubMed Central

    Feldman, Michael B; Terry, Daniel S; Altman, Roger B; Blanchard, Scott C

    2010-01-01

    Aminoglycoside-class antibiotics bind directly to ribosomal RNA, imparting pleiotropic effects on ribosome function. Despite in-depth structural investigations of aminoglycoside–RNA oligonucleotide and aminoglycoside-ribosome interactions, mechanisms explaining the unique ribosome inhibition profiles of chemically similar aminoglycosides remain elusive. Here, using single-molecule fluorescence resonance energy transfer (smFRET) methods, we show that high-affinity aminoglycoside binding to the conserved decoding site region of the functional pre-translocation ribosome complex specifically remodels the nature of intrinsic dynamic processes within the particle. The extents of these effects, which are distinct for each member of the aminoglycoside class, strongly correlate with their inhibition of EF-G–catalyzed translocation. Neomycin, a 4,5-linked amino-glycoside, binds with lower affinity to one or more secondary binding sites, mediating distinct structural and dynamic perturbations that further enhance translocation inhibition. These new insights help explain why closely related aminoglycosides elicit pleiotropic translation activities and demonstrate the potential utility of smFRET as a tool for dissecting the mechanisms of antibiotic action. PMID:19946275

  10. Cadmium(II) complexes of (arylazo)imidazoles: synthesis, structure, photochromism, and density functional theory calculation.

    PubMed

    Sarker, K K; Sardar, D; Suwa, K; Otsuki, J; Sinha, C

    2007-10-01

    Reaction between CdX2 and 1-alkyl-2-(phenylazo)imidazole (RaaiR') has isolated complexes of composition Cd(RaaiR')2X2 in MeOH or MeCN. Crystallization of Cd(RaaiR')2I2 from N,N-dimethylformamide (DMF) has separated [Cd(RaaiR')I2.DMF], while Cd(RaaiR')2X2 (X = Cl and Br) remains unchanged in its composition upon crystallization under identical conditions. The structure has been established by spectral (UV-vis and 1H NMR) data and confirmation in the latter case by a single-crystal X-ray diffraction study of [Cd(TaiMe)I2.DMF] [where TaiMe = 1-methyl-2-(p-tolylazo)imidazole]. UV-light irradiation in a MeCN solution of Cd(RaaiR')2I2 and [Cd(RaaiR')I2.DMF] shows trans-to-cis isomerization of coordinated azoimidazole. The reverse transformation, cis-to-trans, is very slow with visible light irradiation. Quantum yields (phit-->c) of trans-to-cis isomerization are calculated, and the free ligand shows higher phi values than their cadmium(II) iodo complexes. The cis-to-trans isomerization is a thermally induced process. The activation energy (Ea) of cis-to-trans isomerization is calculated by a controlled-temperature experiment. The effects of the anions (Cl-, Br-, I-, and ClO4-) and the number of coordinated azoimidazoles (RaaiR') [Cd(RaaiR') or Cd(RaaiR')2] on the rate and quantum yields of photochromism are established in this work. A slow rate of photoisomerization of [Cd(RaaiR')4](ClO4)2 compared to Cd(RaaiR')I2 or Cd(RaaiR')2X2 may be associated with the increased mass and rotor volume of the complexes. The rate of isomerization is also dependent on the nature of X and follows the sequence Cd(RaaiR')2Cl2 < Cd(RaaiR')2Br2 < Cd(RaaiR')2I2. It may be related to the size and electronegativity of halide, which reduces the effective molar association in the order of I < Br < Cl and hence the rate. Gaussian 03 calculations of representative complexes and free ligands are used to explain the difference in the rates and quantum yields of photoisomerization. PMID:17824607

  11. Characterisation of the active/de-active transition of mitochondrial complex I☆

    PubMed Central

    Babot, Marion; Birch, Amanda; Labarbuta, Paola; Galkin, Alexander

    2014-01-01

    Oxidation of NADH in the mitochondrial matrix of aerobic cells is catalysed by mitochondrial complex I. The regulation of this mitochondrial enzyme is not completely understood. An interesting characteristic of complex I from some organisms is the ability to adopt two distinct states: the so-called catalytically active (A) and the de-active, dormant state (D). The A-form in situ can undergo de-activation when the activity of the respiratory chain is limited (i.e. in the absence of oxygen). The mechanisms and driving force behind the A/D transition of the enzyme are currently unknown, but several subunits are most likely involved in the conformational rearrangements: the accessory subunit 39 kDa (NDUFA9) and the mitochondrially encoded subunits, ND3 and ND1. These three subunits are located in the region of the quinone binding site. The A/D transition could represent an intrinsic mechanism which provides a fast response of the mitochondrial respiratory chain to oxygen deprivation. The physiological role of the accumulation of the D-form in anoxia is most probably to protect mitochondria from ROS generation due to the rapid burst of respiration following reoxygenation. The de-activation rate varies in different tissues and can be modulated by the temperature, the presence of free fatty acids and divalent cations, the NAD+/NADH ratio in the matrix, the presence of nitric oxide and oxygen availability. Cysteine-39 of the ND3 subunit, exposed in the D-form, is susceptible to covalent modification by nitrosothiols, ROS and RNS. The D-form in situ could react with natural effectors in mitochondria or with pharmacological agents. Therefore the modulation of the re-activation rate of complex I could be a way to ameliorate the ischaemia/reperfusion damage. This article is part of a Special Issue entitled: 18th European Bioenergetic Conference. Guest Editors: Manuela Pereira and Miguel Teixeira. PMID:24569053

  12. Synthesis, characterization, electrochemical studies and DFT calculations of amino acids ternary complexes of copper (II) with isonitrosoacetophenone. Biological activities

    NASA Astrophysics Data System (ADS)

    Tidjani-Rahmouni, Nabila; Bensiradj, Nour el Houda; Djebbar, Safia; Benali-Baitich, Ouassini

    2014-10-01

    Three mixed complexes having formula [Cu(INAP)L(H2O)2] where INAP = deprotonated isonitrosoacetophenone and L = deprotonated amino acid such as histidine, phenylalanine and tryptophan have been synthesized. They have also been characterized using elemental analyses, molar conductance, UV-Vis, IR and ESR spectra. The value of molar conductance indicates them to be non-electrolytes. The spectral studies support the binding of the ligands with two N and two O donor sites to the copper (II) ion, giving an arrangement of N2O2 donor groups. Density Functional Theory (DFT) calculations were applied to evaluate the cis and trans coordination modes of the two water molecules. The trans form was shown to be energetically more stable than the cis one. The ESR data indicate that the covalent character of the metal-ligand bonding in the copper (II) complexes increases on going from histidine to phenylalanine to tryptophan. The electrochemical behavior of the copper (II) complexes was determined by cyclic voltammetry which shows that the chelate structure and electron donating effects of the ligands substituent are among the factors influencing the redox potentials of the complexes. The antimicrobial activities of the complexes were evaluated against several pathogenic microorganisms to assess their antimicrobial potentials. The copper complexes were found to be more active against Gram-positive than Gram-negative bacteria. Furthermore, the antioxidant efficiencies of the metal complexes were determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. The antioxidant activity of the complexes indicates their moderate scavenging activity against the radical DPPH.

  13. Bourbaki's structure theory in the problem of complex systems simulation models synthesis and model-oriented programming

    NASA Astrophysics Data System (ADS)

    Brodsky, Yu. I.

    2015-01-01

    The work is devoted to the application of Bourbaki's structure theory to substantiate the synthesis of simulation models of complex multicomponent systems, where every component may be a complex system itself. An application of the Bourbaki's structure theory offers a new approach to the design and computer implementation of simulation models of complex multicomponent systems—model synthesis and model-oriented programming. It differs from the traditional object-oriented approach. The central concept of this new approach and at the same time, the basic building block for the construction of more complex structures is the concept of models-components. A model-component endowed with a more complicated structure than, for example, the object in the object-oriented analysis. This structure provides to the model-component an independent behavior-the ability of standard responds to standard requests of its internal and external environment. At the same time, the computer implementation of model-component's behavior is invariant under the integration of models-components into complexes. This fact allows one firstly to construct fractal models of any complexity, and secondly to implement a computational process of such constructions uniformly-by a single universal program. In addition, the proposed paradigm allows one to exclude imperative programming and to generate computer code with a high degree of parallelism.

  14. Using behavioural activation in the treatment of depression: a control theory perspective.

    PubMed

    McEvoy, P; Law, A; Bates, R; Hylton, K; Mansell, W

    2013-12-01

    Behavioural activation is an intervention that can be used to counteract the typical patterns of withdrawal, avoidance and inactivity that characterize depression. This paper examines the processes of change that may occur during behavioural activation from the perspective of control theory. Some of the key concepts that are associated with control theory are introduced and the process of change that may occur during behavioural activation is illustrated using two case studies. The case studies provide anecdotal evidence which supports the hypothesis that the effective implementation of behavioural activation may depend upon clients being able to retain or regain the sense of control that they value. The differences between a control-theory-based approach and more orthodox behavioural and cognitive approaches are highlighted and the implications of these differences are discussed. Flexible approaches that are informed by control theory, may offer a useful alternative to the more established behavioural and cognitive approaches towards behavioural activation. PMID:23240823

  15. Affinity to bovine serum albumin and anticancer activity of some new water-soluble metal Schiff base complexes

    NASA Astrophysics Data System (ADS)

    Asadi, Mozaffar; Asadi, Zahra; Zarei, Leila; Sadi, Somaye Barzegar; Amirghofran, Zahra

    2014-12-01

    Metal Schiff-base complexes show biological activity but they are usually insoluble in water so four new water-soluble metal Schiff base complexes of Na2[M(5-SO3-1,2-salben]; (5-SO3-1,2-salben denoted N,N";-bis(5-sulphosalicyliden)-1,2-diaminobenzylamine and M = Mg, Mn, Cu, Zn) were synthesized and characterized. The formation constants of the metal complexes were determined by UV-Vis absorption spectroscopy. The interaction of these complexes with bovine serum albumin (BSA) was studied by fluorescence spectroscopy. Type of quenching, binding constants, number of binding sites and binding stoichiometries were determined by fluorescence quenching method. The results showed that the mentioned complexes strongly bound to BSA. Thermodynamic parameters indicated that hydrophobic association was the major binding force and that the interaction was entropy driven and enthalpically disfavoured. The displacement experiment showed that these complexes could bind to the subdomain IIA (site I) of albumin. Furthermore the synchronous fluorescence spectra showed that the microenvironment of the tryptophan residues was not apparently changed. Based on the Förster theory of non-radiation energy transfer, the distance between the donor (Trp residues) and the acceptor metal complexes was obtained. The growth inhibitory effect of complexes toward the K562 cancer cell line was measured.

  16. A Density Functional Theory Based Protocol to Compute the Redox Potential of Transition Metal Complex with the Correction of Pseudo-Counterion: General Theory and Applications.

    PubMed

    Matsui, Toru; Kitagawa, Yasutaka; Shigeta, Yasuteru; Okumura, Mitsutaka

    2013-07-01

    We propose an accurate scheme to evaluate the redox potential of a wide variety of transition metal complexes by adding a charge-dependent correction term for a counterion around the charged complexes, which is based on Generalized Born theory, to the solvation energy. The mean absolute error (MAE) toward experimental redox potentials of charged complexes is considerably reduced from 0.81 V (maximum error 1.22 V) to 0.22 V (maximum error 0.50 V). We found a remarkable exchange-correlation functional dependence on the results rather than the basis set ones. The combination of Wachters+f (for metal) and 6-31++G(d,p) (for other atoms) with the B3LYP functional gives the least MAE 0.15 V for the test complexes. This scheme is applicable to other solvents, and heavier transition metal complexes such as M1(CO)5(pycn) (M1 = Cr, Mo, W), M2(mnt)2 (M2 = Ni, Pd, Pt), and M3(bpy)3 (M3 = Fe, Ru, Os) with the same quality. PMID:26583980

  17. Electrically active sulfur-defect complexes in sulfur implanted diamond

    NASA Astrophysics Data System (ADS)

    Kalish, R.; Uzan-Saguy, C.; Walker, R.; Prawer, S.

    2003-09-01

    Single crystal type IIa <100> diamonds were implanted with sulfur, phosphorus, and argon ions under different implantation and annealing conditions. Shallow (sub-MeV) as well as deep (MeV) implantations into samples held at low (liquid nitrogen) ambient (room temperature) and high (400 °C) temperatures were employed. The implanted samples were subjected to postimplantation annealing up to 1000 °C. Following each processing step the samples were subjected to (i) Raman spectroscopy, in order to investigate the implantation related residual defects, and (ii) electrical (resistivity and sometimes Hall effect) measurements as function of temperature. The correlation between the results of these structural and electrical measurements and the comparison of results obtained under identical processing conditions for possible n-type dopant ion-implantations (S and P) and inert (Ar) ion-implantations, as controls, leads to the following conclusions: (a) Sulfur implanted samples always exhibit at least one order of magnitude higher conductivity than Ar control implanted samples. The activation energy associated with the S related conductivity is 0.32-0.37 eV whereas that of the Ar control is 0.5 to 0.6 eV. Hall effect shows, for selected cases, n-type conductivity with low carrier concentration and mobility. (b) Although the presence of some residual defects (mainly split interstitials) seems to accompany the appearance of the S related electrical activity, the level of residual damage in the S implanted samples is always less than that of the Ar control. (c) The electrical effects due to the implantation of S vanish upon annealing at temperatures in access of 800 °C. (d) No significant difference in the electrical properties between P and control Ar implantations are evident. It is concluded that a sulfur-defect related complex, which decomposes at T>800 °C, is responsible for the electrical effects in S implanted diamond. The presence of B contamination which has

  18. Induced starburst and nuclear activity: Faith, facts, and theory

    NASA Technical Reports Server (NTRS)

    Shlosman, Isaac

    1990-01-01

    The problem of the origin of starburst and nuclear (nonstellar) activity in galaxies is reviewed. A physical understanding of the mechanism(s) that induce both types of activity requires one to address the following issues: (1) what is the source of fuel that powers starbursts and active galactic nuclei; and (2) how is it channeled towards the central regions of host galaxies? As a possible clue, the author examines the role of non-axisymmetric perturbations of galactic disks and analyzes their potential triggers. Global gravitational instabilities in the gas on scales approx. 100 pc appear to be crucial for fueling the active galactic nuclei.

  19. Alkene to carbyne: tandem Lewis acid activation and dehydrogenation of a molybdenum ethylene complex.

    PubMed

    Stennett, Tom E; Haddow, Mairi F; Wass, Duncan F

    2013-10-18

    Carbyne formation: Treatment of a molybdenum ethylene complex with B(C6 F5 )3 induces ditopic activation of an ethylene ligand and acceptor-assisted ethane elimination to generate a novel type of zwitterionic carbyne complex. PMID:24038792

  20. Density functional theory studies on the structures and water-exchange reactions of aqueous Al(III)-oxalate complexes.

    PubMed

    Jin, Xiaoyan; Yan, Yu; Shi, Wenjing; Bi, Shuping

    2011-12-01

    The structures and water-exchange reactions of aqueous aluminum-oxalate complexes are investigated using density functional theory. The present work includes (1) The structures of Al(C(2)O(4))(H(2)O)(4)(+) and Al(C(2)O(4))(2)(H(2)O)(2)(-) were optimized at the level of B3LYP/6-311+G(d,p). The geometries obtained suggest that the Al-OH(2) bond lengths trans to C(2)O(4)(2-) ligand in Al(C(2)O(4))(H(2)O)(4)(+) are much longer than the Al-OH(2) bond lengths cis to C(2)O(4)(2-). For Al(C(2)O(4))(2)(H(2)O)(2)(-), the close energies between cis and trans isomers imply the coexistence in aqueous solution. The (27)Al NMR and (13)C NMR chemical shifts computed with the consideration of sufficient solvent effect using HF GIAO method and 6-311+G(d,p) basis set are in agreement with the experimental values available, indicating the appropriateness of the applied models; (2) The water-exchange reactions of Al(III)-oxalate complexes were simulated at the same computational level. The results show that water exchange proceeds via dissociative pathway and the activation energy barriers are sensitive to the solvent effect. The energy barriers obtained indicate that the coordinated H(2)O cis to C(2)O(4)(2-) in Al(C(2)O(4))(H(2)O)(4)(+) is more labile than trans H(2)O. The water-exchange rate constants (k(ex)) of trans- and cis-Al(C(2)O(4))(2)(H(2)O)(2)(-) were estimated by four methods and their respective characteristics were explored; (3) The significance of the study on the aqueous aluminum-oxalate complexes to environmental chemistry is discussed. The influences of ubiquitous organic ligands in environment on aluminum chemistry behavior can be elucidated by extending this study to a series of Al(III)-organic system. PMID:21973197

  1. Handling Complexity in Learning Environments: Theory and Research. Advances in Learning and Instruction

    ERIC Educational Resources Information Center

    Elen, Jan, Ed.; Clark, Richard, Ed.

    2006-01-01

    What is meant when people say that "learning environments are increasingly complex"? What is known about the cognitive processing that occurs during complex learning? How can educators provide effective instructional support for students who must learn and apply complex knowledge? These questions, and related issues, have fascinated educators and…

  2. Bourdieu's Game of Life: Using Simulation to Facilitate Understanding of Complex Theories

    ERIC Educational Resources Information Center

    Griffith, Lauren Miller

    2012-01-01

    Undergraduate students often struggle with understanding the theories of Bourdieu, but they are essential for understanding how power and privilege are reproduced in society. Revealing students' complicity in this system is a powerful teaching moment, but it is often difficult to make the lesson and advanced theory accessible without triggering…

  3. Complex Possibilities: "Working Theories" as an Outcome for the Early Childhood Curriculum

    ERIC Educational Resources Information Center

    Hargraves, Vicki

    2014-01-01

    "Working theories" are described as one of the two principal outcomes of Te Whariki, the early childhood curriculum in Aotearoa New Zealand. Despite its prominence as a curricular outcome, the theoretical positioning of the concept of working theory remains relatively undebated, with researchers readily attributing the term to a…

  4. Job Search and Social Cognitive Theory: The Role of Career-Relevant Activities

    ERIC Educational Resources Information Center

    Zikic, Jelena; Saks, Alan M.

    2009-01-01

    Social cognitive theory was used to explain the relationships between career-relevant activities (environmental and self career exploration, career resources, and training), self-regulatory variables (job search self-efficacy and job search clarity), variables from the Theory of Planned Behavior (job search attitude, subjective norm, job search…

  5. Presenting Theoretical Ideas Prior to Inquiry Activities Fosters Theory-Level Knowledge

    ERIC Educational Resources Information Center

    Wecker, Christof; Rachel, Alexander; Heran-Dörr, Eva; Waltner, Christine; Wiesner, Hartmut; Fischer, Frank

    2013-01-01

    In the course of inquiry activities similar to those of real scientists, learners are supposed to develop knowledge both on the level of observable phenomena and on the level of explanatory theories. However, some theories involve theoretical entities (e.g., "Weiss domains") that cannot be observed directly and therefore may be hard to…

  6. Development and Evaluation of a Theory-Based Physical Activity Guidebook for Breast Cancer Survivors

    ERIC Educational Resources Information Center

    Vallance, Jeffrey K.; Courneya, Kerry S.; Taylor, Lorian M.; Plotnikoff, Ronald C.; Mackey, John R.

    2008-01-01

    This study's objective was to develop and evaluate the suitability and appropriateness of a theory-based physical activity (PA) guidebook for breast cancer survivors. Guidebook content was constructed based on the theory of planned behavior (TPB) using salient exercise beliefs identified by breast cancer survivors in previous research. Expert…

  7. Cultural-Historical Activity Theory: Vygotsky's Forgotten and Suppressed Legacy and Its Implication for Mathematics Education

    ERIC Educational Resources Information Center

    Roth, Wolff-Michael

    2012-01-01

    Cultural-historical activity theory--with historical roots in dialectical materialism and the social psychology to which it has given rise--has experienced exponential growth in its acceptance by scholars interested in understanding knowing and learning writ large. In education, this theory has constituted something like a well kept secret that is…

  8. Changing Investment in Activities and Interests in Elders' Lives: Theory and Measurement

    ERIC Educational Resources Information Center

    Adams, Kathryn Betts

    2004-01-01

    Socioemotional selectivity and gerotranscendence, newer theories with roots in the disengagement theory of aging, provided the theoretical framework for a new measure of perceived change in investment in a variety of pursuits. The 30-item Change in Activity and Interest Index (CAII) was given to a sample of 327 outpatients aged 65-94. Items with…

  9. Postural Complexity Influences Development in Infants Born Preterm With Brain Injury: Relating Perception-Action Theory to 3 Cases

    PubMed Central

    Izzo, Theresa; Thacker, Leroy R.; Galloway, James Cole

    2014-01-01

    Background and Purpose Perception-action theory suggests a cyclical relationship between movement and perceptual information. In this case series, changes in postural complexity were used to quantify an infant's action and perception during the development of early motor behaviors. Case Description Three infants born preterm with periventricular white matter injury were included. Outcomes Longitudinal changes in postural complexity (approximate entropy of the center of pressure), head control, reaching, and global development, measured with the Test of Infant Motor Performance and the Bayley Scales of Infant and Toddler Development, were assessed every 0.5 to 3 months during the first year of life. All 3 infants demonstrated altered postural complexity and developmental delays. However, the timing of the altered postural complexity and the type of delays varied among the infants. For infant 1, reduced postural complexity or limited action while learning to control her head in the midline position may have contributed to her motor delay. However, her ability to adapt her postural complexity eventually may have supported her ability to learn from her environment, as reflected in her relative cognitive strength. For infant 2, limited early postural complexity may have negatively affected his learning through action, resulting in cognitive delay. For infant 3, an increase in postural complexity above typical levels was associated with declining neurological status. Discussion Postural complexity is proposed as a measure of perception and action in the postural control system during the development of early behaviors. An optimal, intermediate level of postural complexity supports the use of a variety of postural control strategies and enhances the perception-action cycle. Either excessive or reduced postural complexity may contribute to developmental delays in infants born preterm with white matter injury. PMID:24903116

  10. Implicit theories about willpower predict the activation of a rest goal following self-control exertion.

    PubMed

    Job, Veronika; Bernecker, Katharina; Miketta, Stefanie; Friese, Malte

    2015-10-01

    Past research indicates that peoples' implicit theories about the nature of willpower moderate the ego-depletion effect. Only people who believe or were led to believe that willpower is a limited resource (limited-resource theory) showed lower self-control performance after an initial demanding task. As of yet, the underlying processes explaining this moderating effect by theories about willpower remain unknown. Here, we propose that the exertion of self-control activates the goal to preserve and replenish mental resources (rest goal) in people with a limited-resource theory. Five studies tested this hypothesis. In Study 1, individual differences in implicit theories about willpower predicted increased accessibility of a rest goal after self-control exertion. Furthermore, measured (Study 2) and manipulated (Study 3) willpower theories predicted an increased preference for rest-conducive objects. Finally, Studies 4 and 5 provide evidence that theories about willpower predict actual resting behavior: In Study 4, participants who held a limited-resource theory took a longer break following self-control exertion than participants with a nonlimited-resource theory. Longer resting time predicted decreased rest goal accessibility afterward. In Study 5, participants with an induced limited-resource theory sat longer on chairs in an ostensible product-testing task when they had engaged in a task requiring self-control beforehand. This research provides consistent support for a motivational shift toward rest after self-control exertion in people holding a limited-resource theory about willpower. PMID:26075793

  11. T-cell activation: A queuing theory analysis at low agonist density.

    PubMed

    Wedagedera, J R; Burroughs, N J

    2006-09-01

    We analyze a simple linear triggering model of the T-cell receptor (TCR) within the framework of queuing theory, in which TCRs enter the queue upon full activation and exit by downregulation. We fit our model to four experimentally characterized threshold activation criteria and analyze their specificity and sensitivity: the initial calcium spike, cytotoxicity, immunological synapse formation, and cytokine secretion. Specificity characteristics improve as the time window for detection increases, saturating for time periods on the timescale of downregulation; thus, the calcium spike (30 s) has low specificity but a sensitivity to single-peptide MHC ligands, while the cytokine threshold (1 h) can distinguish ligands with a 30% variation in the complex lifetime. However, a robustness analysis shows that these properties are degraded when the queue parameters are subject to variation-for example, under stochasticity in the ligand number in the cell-cell interface and population variation in the cellular threshold. A time integration of the queue over a period of hours is shown to be able to control parameter noise efficiently for realistic parameter values when integrated over sufficiently long time periods (hours), the discrimination characteristics being determined by the TCR signal cascade kinetics (a kinetic proofreading scheme). Therefore, through a combination of thresholds and signal integration, a T cell can be responsive to low ligand density and specific to agonist quality. We suggest that multiple threshold mechanisms are employed to establish the conditions for efficient signal integration, i.e., coordinate the formation of a stable contact interface. PMID:16766611

  12. T-Cell Activation: A Queuing Theory Analysis at Low Agonist Density

    PubMed Central

    Wedagedera, J. R.; Burroughs, N. J.

    2006-01-01

    We analyze a simple linear triggering model of the T-cell receptor (TCR) within the framework of queuing theory, in which TCRs enter the queue upon full activation and exit by downregulation. We fit our model to four experimentally characterized threshold activation criteria and analyze their specificity and sensitivity: the initial calcium spike, cytotoxicity, immunological synapse formation, and cytokine secretion. Specificity characteristics improve as the time window for detection increases, saturating for time periods on the timescale of downregulation; thus, the calcium spike (30 s) has low specificity but a sensitivity to single-peptide MHC ligands, while the cytokine threshold (1 h) can distinguish ligands with a 30% variation in the complex lifetime. However, a robustness analysis shows that these properties are degraded when the queue parameters are subject to variation—for example, under stochasticity in the ligand number in the cell-cell interface and population variation in the cellular threshold. A time integration of the queue over a period of hours is shown to be able to control parameter noise efficiently for realistic parameter values when integrated over sufficiently long time periods (hours), the discrimination characteristics being determined by the TCR signal cascade kinetics (a kinetic proofreading scheme). Therefore, through a combination of thresholds and signal integration, a T cell can be responsive to low ligand density and specific to agonist quality. We suggest that multiple threshold mechanisms are employed to establish the conditions for efficient signal integration, i.e., coordinate the formation of a stable contact interface. PMID:16766611

  13. Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.

    PubMed

    Dyke, John; Levason, William; Light, Mark E; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia

    2015-08-21

    The Group 1 complexes, [M(Me6[18]aneN6)][BAr(F)] (M = Li-Cs; Me6[18]aneN6 = 1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane; BAr(F) = tetrakis{3,5-bis(trifluoromethyl)-phenyl}borate), are obtained in high yield by reaction of the macrocycle with M[BAr(F)] in anhydrous CH2Cl2 solution, and characterised spectroscopically ((1)H, (13)C{(1)H}, (7)Li, (23)Na, and (133)Cs NMR), by microanalysis and, for M = Li, K, and Rb, by single crystal X-ray analysis. The structures show N6-coordination to the metal ion; the small ionic radius for Li(+) leads to a puckered conformation. In contrast, the K(+) ion fits well into the N6 plane, with the [BAr(F)](-) anions above and below, leading to two K(+) species in the asymmetric unit (a hexagonal planar [K(Me6[18]aneN6)](+) cation and a '[K(Me6[18]aneN6)(κ(1)-BAr(F))2](-) anion', with long axial KF interactions). The Rb(+) ion sits above the N6 plane, with two long axial RbF interactions in one cation and two long, mutually cis RbF interactions in the other. The unusual sandwich cations, [M(Me3tacn)2](+) (M = Na, K; distorted octahedral, N6 donor set) and half-sandwich cations [Li(Me3tacn)(thf)](+) (distorted tetrahedron, N3O donor set), [Li(Me4cyclen)(OH2)](+), and [Na(Me4cyclen)(thf)](+) (both distorted square pyramids with N4O donor sets) were also prepared (Me3tacn = 1,4,7-trimethyl-1,4,7-triazacyclononane, Me4cyclen = 1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane). Density functional theory (DFT) calculations, using the BP86 and B3LYP functionals, show that the accessibility of the [M(Me3tacn)2](+) sandwich cations depends strongly on the M(+) ionic radius, such that it is sufficiently large to avoid steric clashing between the Me groups of the two rings, and small enough to avoid very acute N-M-N chelate angles. The calculations also show that coordination to the Group 1 cation involves significant donation of electron density from the p-orbitals on the N atoms of the macrocycle, rather than purely

  14. Complexation thermodynamics of diglycolamide with f-elements: solvent extraction and density functional theory analysis.

    PubMed

    Ali, Sk M; Pahan, S; Bhattacharyya, A; Mohapatra, P K

    2016-04-14

    Comparative extraction of trivalent lanthanide and actinide ions (La(3+), Eu(3+), Lu(3+), Am(3+) and Cm(3+)) with tetra-n-octyl diglycolamide (TODGA) was studied and showed the trend: Lu(3+) > Eu(3+) > Cm(3+) > Am(3+) > La(3+). The structure, bonding, energetic and thermodynamic parameters of the trivalent lanthanide and actinide ions (La(3+), Eu(3+), Lu(3+), Am(3+) and Cm(3+)) with a tridentate ligand, tetra-methyl diglycolamide (TMDGA), are reported in the gas and solvent phases in order to understand their complexation and extraction behaviour. The calculations were performed using the generalized gradient approximated BP86 density functional and the hybrid B3LYP functional using SVP and TZVPP basis sets. The calculated structure obtained at the BP86/SVP level of optimization was found to be in close agreement with the X-ray data and also with the structure obtained at the B3LYP/TZVP level of theory. The free energy of extraction was found to be exergonic for the explicit monomer water model. From the solvent extraction experiment the order of extraction was observed as Lu(3+) > Eu(3+) > Cm(3+) > Am(3+) > La(3+), which was in line with the trends predicted based on the free energy changes in the gas phase calculations (ΔGgp). The Born-Haber thermodynamic cycle and the COSMO (conductor like screening model) solvation model were applied to calculate the free energy of extraction, ΔGext, of lanthanide and actinide ions in the aqueous-dodecane biphasic system and ΔGext, however, predicted different extraction trends. After dispersion correction (B3LYP-D3), the free energy of extraction for the metal ions was found to follow the order: Lu(3+) > Eu(3+) > La(3+), which was also observed in the solvent extraction experiments. Both COSMO and DCOSMO-RS models predict the same metal ion selectivity trend. Different bonding analyses indicate the electrostatic and less covalent nature of interactions between the ligands and the metal ions. PMID:27001244

  15. 75 FR 61857 - Statement on Sound Practices Concerning Elevated Risk Complex Structured Finance Activities

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-06

    ... Finance Activities AGENCY: Office of Thrift Supervision (OTS), Treasury. ACTION: Notice and request for... Elevated Risk Complex Structured Finance Activities. OMB Number: 1550-0111. Form Number: N/A. Description: Statement on Sound Practices Concerning Elevated Risk Complex Structured Finance Activities describes...

  16. Theory on the dynamic memory in the transcription-factor-mediated transcription activation

    NASA Astrophysics Data System (ADS)

    Murugan, R.

    2011-04-01

    We develop a theory to explain the origin of the static and dynamical memory effects in transcription-factor-mediated transcription activation. Our results suggest that the following inequality conditions should be satisfied to observe such memory effects: (a) τL≫max(τR,τE), (b) τLT≫τT, and (c) τI⩾(τEL+τTR) where τL is the average time required for the looping-mediated spatial interactions of enhancer—transcription-factor complex with the corresponding promoter—RNA-polymerase or eukaryotic RNA polymerase type II (PolII in eukaryotes) complex that is located L base pairs away from the cis-acting element, (τR,τE) are respectively the search times required for the site-specific binding of the RNA polymerase and the transcription factor with the respective promoter and the cis-regulatory module, τLT is the time associated with the relaxation of the looped-out segment of DNA that connects the cis-acting site and promoter, τT is the time required to generate a complete transcript, τI is the transcription initiation time, τEL is the elongation time, and τTR is the termination time. We have theoretically derived the expressions for the various searching, looping, and loop-relaxation time components. Using the experimentally determined values of various time components we further show that the dynamical memory effects cannot be experimentally observed whenever the segment of DNA that connects the cis-regulatory element with the promoter is not loaded with bulky histone bodies. Our analysis suggests that the presence of histone-mediated compaction of the connecting segment of DNA can result in higher values of looping and loop-relaxation times, which is the origin of the static memory in the transcription activation that is mediated by the memory gene loops in eukaryotes.

  17. An Activity Theory Approach to Analyze Barriers to a Virtual Management Information Systems (MIS) Curriculum

    ERIC Educational Resources Information Center

    Jaradat, Suhair; Qablan, Ahmad; Barham, Areej

    2011-01-01

    This paper explains how the activity theory is used as a framework to analyze the barriers to a virtual Management Information Stream (MIS) Curriculum in Jordanian schools, from both the sociocultural and pedagogical perspectives. Taking the activity system as a unit of analysis, this study documents the processes by which activities shape and are…

  18. Complex explosive volcanic activity on the Moon within Oppenheimer crater

    NASA Astrophysics Data System (ADS)

    Bennett, Kristen A.; Horgan, Briony H. N.; Gaddis, Lisa R.; Greenhagen, Benjamin T.; Allen, Carlton C.; Hayne, Paul O.; Bell, James F.; Paige, David A.

    2016-07-01

    Oppenheimer crater is a floor-fractured crater located within the South Pole-Aitken basin on the Moon, and exhibits more than a dozen localized pyroclastic deposits associated with the fractures. Localized pyroclastic volcanism on the Moon is thought to form as a result of intermittently explosive Vulcanian eruptions under low effusion rates, in contrast to the higher-effusion rate, Hawaiian-style fire fountaining inferred to form larger regional deposits. We use Lunar Reconnaissance Orbiter Camera images and Diviner Radiometer mid-infrared data, Chandrayaan-1 orbiter Moon Mineralogy Mapper near-infrared spectra, and Clementine orbiter Ultraviolet/visible camera images to test the hypothesis that the pyroclastic deposits in Oppenheimer crater were emplaced via Vulcanian activity by constraining their composition and mineralogy. Mineralogically, we find that the deposits are variable mixtures of orthopyroxene and minor clinopyroxene sourced from the crater floor, juvenile clinopyroxene, and juvenile iron-rich glass, and that the mineralogy of the pyroclastics varies both across the Oppenheimer deposits as a whole and within individual deposits. We observe similar variability in the inferred iron content of pyroclastic glasses, and note in particular that the northwest deposit, associated with Oppenheimer U crater, contains the most iron-rich volcanic glass thus far identified on the Moon, which could be a useful future resource. We propose that this variability in mineralogy indicates variability in eruption style, and that it cannot be explained by a simple Vulcanian eruption. A Vulcanian eruption should cause significant country rock to be incorporated into the pyroclastic deposit; however, large areas within many of the deposits exhibit spectra consistent with high abundances of juvenile phases and very little floor material. Thus, we propose that at least the most recent portion of these deposits must have erupted via a Strombolian or more continuous fire

  19. Activated sampling in complex materials at finite temperature: The properly obeying probability activation-relaxation technique

    NASA Astrophysics Data System (ADS)

    Vocks, Henk; Chubynsky, M. V.; Barkema, G. T.; Mousseau, Normand

    2005-12-01

    While the dynamics of many complex systems is dominated by activated events, there are very few simulation methods that take advantage of this fact. Most of these procedures are restricted to relatively simple systems or, as with the activation-relaxation technique (ART), sample the conformation space efficiently at the cost of a correct thermodynamical description. We present here an extension of ART, the properly obeying probability ART (POP-ART), that obeys detailed balance and samples correctly the thermodynamic ensemble. Testing POP-ART on two model systems, a vacancy and an interstitial in crystalline silicon, we show that this method recovers the proper thermodynamical weights associated with the various accessible states and is significantly faster than molecular dynamics in the simulations of a vacancy below 700 K.

  20. Activated sampling in complex materials at finite temperature: the properly obeying probability activation-relaxation technique.

    PubMed

    Vocks, Henk; Chubynsky, M V; Barkema, G T; Mousseau, Normand

    2005-12-22

    While the dynamics of many complex systems is dominated by activated events, there are very few simulation methods that take advantage of this fact. Most of these procedures are restricted to relatively simple systems or, as with the activation-relaxation technique (ART), sample the conformation space efficiently at the cost of a correct thermodynamical description. We present here an extension of ART, the properly obeying probability ART (POP-ART), that obeys detailed balance and samples correctly the thermodynamic ensemble. Testing POP-ART on two model systems, a vacancy and an interstitial in crystalline silicon, we show that this method recovers the proper thermodynamical weights associated with the various accessible states and is significantly faster than molecular dynamics in the simulations of a vacancy below 700 K. PMID:16396563

  1. Implicit theories of the body among college women: implications for physical activity.

    PubMed

    Lyons, Claire; Kaufman, Annette R; Rima, Brandi

    2015-09-01

    This study explored the relationship between implicit theories of the body (ITB) and self-reported physical activity. ITB are beliefs about the malleability of the body. Individuals may hold entity ITB (that body appearance is fixed) or incremental ITB (that body appearance can be changed). Female undergraduate students (N = 313) completed an online survey assessing ITB, physical activity, and discrepancy between actual and ideal body weight. Participants endorsing incremental ITB reported more physical activity. A significant ITB by weight discrepancy interaction emerged. Developing interventions targeting implicit theories of the body may be one way to increase physical activity. PMID:24271689

  2. The Effectiveness of WhatsApp Mobile Learning Activities Guided by Activity Theory on Students' Knowledge Management

    ERIC Educational Resources Information Center

    Barhoumi, Chokri

    2015-01-01

    This research paper explores the effectiveness of using mobile technologies to support a blended learning course titled Scientific Research Methods in Information Science. Specifically, it discusses the effects of WhatsApp mobile learning activities guided by activity theory on students' knowledge Management (KM). During the 2014 academic year,…

  3. Activity Theory and the Transformation of Pedagogic Practice

    ERIC Educational Resources Information Center

    Yamazumi, Katsuhiro

    2006-01-01

    Today, work and other societal practices are experiencing accelerating paradigm shifts from mass-production-based systems toward new systems based on networking between organizations, collaboration, and partnerships. This shift requires new paradigms in the fields of education, learning, and development. As human activity quickly changes to…

  4. A Conceptual Framework Based on Activity Theory for Mobile CSCL

    ERIC Educational Resources Information Center

    Zurita, Gustavo; Nussbaum, Miguel

    2007-01-01

    There is a need for collaborative group activities that promote student social interaction in the classroom. Handheld computers interconnected by a wireless network allow people who work on a common task to interact face to face while maintaining the mediation afforded by a technology-based system. Wirelessly interconnected handhelds open up new…

  5. Quantum Theory, Active Information and the Mind-Matter Problem

    NASA Astrophysics Data System (ADS)

    Pylkkänen, Paavo

    Bohm and Hiley suggest that a certain new type of active information plays a key objective role in quantum processes. This chapter discusses the implications of this suggestion to our understanding of the relation between the mental and the physical aspects of reality.

  6. Institutionalizing Retention Activity: Toward a Theory-Based Model.

    ERIC Educational Resources Information Center

    Saunders, Martha Dunagin

    2003-01-01

    Examines Appreciative Inquiry, a relatively new approach to organizational change and growth, as a method for institutionalizing retention activity. Results of a case study in a college of arts and sciences suggest the method to be effective in creating a shared vision for the organization, energized participants, improved morale, and increased…

  7. The Persistence of Erroneous Familiarity in an Epileptic Male: Challenging Perceptual Theories of Deja Vu Activation

    ERIC Educational Resources Information Center

    O'Connor, Akira R.; Moulin, Christopher J. A.

    2008-01-01

    We report the case of a 39-year-old, temporal lobe epileptic male, MH. Prior to complex partial seizure, experienced up to three times a day, MH often experiences an aura experienced as a persistent sensation of deja vu. Data-driven theories of deja vu formation suggest that partial familiarity for the perceived stimulus is responsible for the…

  8. Infrared spectra and density functional theory calculations of group 10 transition metal sulfide molecules and complexes.

    PubMed

    Liang, Binyong; Wang, Xuefeng; Andrews, Lester

    2009-04-01

    Laser-ablated Ni, Pd, and Pt atoms were reacted with sulfur molecules emerging from a microwave discharge in argon during condensation at 7 K. Reaction products were identified from matrix infrared spectra, sulfur isotopic shifts, spectra of sulfur isotopic mixtures, and frequencies from density functional calculations. The strongest absorptions are observed at 597.9, 596.1, and 583.6 cm(-1), respectively, for the group 10 metals. These absorptions show large sulfur-34 shifts and 32/34 isotopic frequency ratios (1.0282, 1.0285, 1.0298) that are appropriate for S-S stretching modes. Of most importance, mixed 32/34 isotopic 1/4/4/2/4/1 sextets identify this product with two equivalent S(2) molecules containing equivalent atomic positions as the bisdisulfur pi complexes M(S(2))(2). Our DFT calculations find stable D(2h) structures with B(1u) ground states and intense b(1u) infrared active modes a few wavenumbers higher than the observed values. A minor Ni product at 505.8, 502.7 cm(-1) shows the proper sulfur-34 shift for assignment to (58)NiS, (60)NiS. Another major product with Pt at 512.2 cm(-1) reveals an asymmetric triplet absorption with mixed sulfur 32/34, which is appropriate for assignment to the SPtS disulfide molecule. A weak 491.7 cm(-1) peak exhibits the sulfur-34 shift expected for PtS, and this assignment follows. PMID:19281209

  9. Unpacking the Complexity of Linear Equations from a Cognitive Load Theory Perspective

    ERIC Educational Resources Information Center

    Ngu, Bing Hiong; Phan, Huy P.

    2016-01-01

    The degree of element interactivity determines the complexity and therefore the intrinsic cognitive load of linear equations. The unpacking of linear equations at the level of operational and relational lines allows the classification of linear equations in a hierarchical level of complexity. Mapping similar operational and relational lines across…

  10. Complexity Theory 101 for Educators: A Fictional Account of a Graduate Seminar

    ERIC Educational Resources Information Center

    McMurtry, Angus

    2008-01-01

    The following fictional account of a seminar on complexity science and its relevance for education makes use of several real events. The first is an actual seminar that took place during the spring of 2005, in the Department of Secondary Education at the University of Alberta. The second is the collective creation of the Complexity and Education…

  11. Toward a theory relating text complexity, reader ability, and reading comprehension.

    PubMed

    Swartz, Carl W; Burdick, Donald S; Hanlon, Sean T; Stenner, A Jackson; Kyngdon, Andrew; Burdick, Harold; Smith, Malbert

    2014-01-01

    Validity of specification equations used by auto-text processors to estimate theoretical text complexity have increased importance because of the Common Core State Standards. Theoretical estimates of text complexity will inform (a) setting standards for college and career readiness, (b) grade-level standards, matching readers to text, and (d) creating a daily diet of stretch and targeted text designed to grow reading ability and content knowledge. The purpose of this research was to investigate the specification equation used in the Lexile Framework for Reading to measure text complexity. The Lexile Reading Analyzer contains a specification equation that uses proxies for the semantic difficulty and syntactic complexity to estimate the theoretical complexity of professionally-edited text. Differences between theoretical and empirical estimates of text complexity were examined for a set of 446 professionally authored, previously published passages. Students in grades 2-12 read these passages using A Learning Oasis, a web-based technology, to ensure that most of the articles read were well-targeted to student ability (+100L). Each article was response illustrated using an auto-generated semantic cloze item type embedded into passages. Observed student performance on this item type was used to derive an empirical estimate of text complexity for each passage. Theoretical estimates of text complexity accounted for approximately 90 percent of the variance in empirical estimates of text complexity. These findings suggest that the specification equation contains powerful predictors of empirical text complexity, speculation remains on what additional variables might account for the 10 percent of unexplained variation. PMID:25232670

  12. Catalytic activity of nuclease P1: Experiment and theory

    SciTech Connect

    Miller, J.H.; Falcone, J.M.; Shibata, M.; Box, H.C.

    1994-10-01

    Nuclease P1 from Penicillium citrinum is a zinc dependent glyco-enzyme that recognizes single stranded DNA and RNA as substrates and hydrolyzes the phosphate ester bond. Nuclease Pl seems to recognize particular conformations of the phosphodiester backbone and shows significant variation in the rate of hydrolytic activity depending upon which nucleosides are coupled by the phosphodiester bond. The efficiency of nuclease Pl in hydrolyzing the phosphodiester bonds of a substrate can be altered by modifications to one of the substrate bases induced by ionizing radiation or oxidative stress. Measurements have been made of the effect of several radiation induced lesions on the catalytic rate of nuclease Pl. A model of the structure of the enzyme has been constructed in order to better understand the binding and activity of this enzyme on various ssDNA substrates.

  13. Active Site Structure and Peroxidase Activity of Oxidatively Modified Cytochrome c Species in Complexes with Cardiolipin.

    PubMed

    Capdevila, Daiana A; Oviedo Rouco, Santiago; Tomasina, Florencia; Tortora, Verónica; Demicheli, Verónica; Radi, Rafael; Murgida, Daniel H

    2015-12-29

    We report a resonance Raman and UV-vis characterization of the active site structure of oxidatively modified forms of cytochrome c (Cyt-c) free in solution and in complexes with cardiolipin (CL). The studied post-translational modifications of Cyt-c include methionine sulfoxidation and tyrosine nitration, which lead to altered heme axial ligation and increased peroxidase activity with respect to those of the wild-type protein. In spite of the structural and activity differences between the protein variants free in solution, binding to CL liposomes induces in all cases the formation of a spectroscopically identical bis-His axial coordination conformer that more efficiently promotes lipid peroxidation. The spectroscopic results indicate that the bis-His form is in equilibrium with small amounts of high-spin species, thus suggesting a labile distal His ligand as the basis for the CL-induced increase in enzymatic activity observed for all protein variants. For Cyt-c nitrated at Tyr74 and sulfoxidized at Met80, the measured apparent binding affinities for CL are ∼4 times larger than for wild-type Cyt-c. On the basis of these results, we propose that these post-translational modifications may amplify the pro-apoptotic signal of Cyt-c under oxidative stress conditions at CL concentrations lower than for the unmodified protein. PMID:26620444

  14. A Biomimetic Propulsor for Active Noise Control. Part 2: Theory

    NASA Astrophysics Data System (ADS)

    Annaswamy Krol, A., Jr.; Bandyopadhyay, P. R.

    2000-11-01

    The alteration of radiated noise in underwater propulsors using biomimetic active control is considered. Wake momentum filling is carried out by introducing artificial muscles at the trailing edge of a stator blade of an upstream stator propulsor, and articulating them like a fish tail (see companion abstract Part 1). Using a systems framework, we derive a methodology for the articulation of the muscles with active control. The unsteady force produced on the rotor because of velocity perturbations due to actuator displacements, wake deficits caused by stator boundary layers, and blade rotation is modeled. Linear and adaptive nonlinear control strategies are described for articulating the tail using unsteady force measurements. This active control procedure can be viewed as the realization of “virtual” blades with different sweep and noise characteristics and can affect the noise spectrum due to direct radiation significantly. The work provides an understanding of the effect of nonuniform wakes on radiated noise and can lead to a general approach by which wakes can be altered.

  15. Disentangling complex emotions with structured neurophysiological models. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

    NASA Astrophysics Data System (ADS)

    Kaernbach, Christian

    2015-06-01

    Life is complex. Emotions help us to deal with life. So it should not come as a surprise that emotions are also complex. Emotion theories should help us to see through this complex world of emotions. In order to do so, they have to simplify things. However, they should not oversimplify.

  16. Immune complexes that contain HIV antigens activate peripheral blood T cells.

    PubMed

    Korolevskaya, L B; Shmagel, K V; Saidakova, E V; Shmagel, N G; Chereshnev, V A

    2016-07-01

    Uninfected donor T cells were treated in vitro by model immune complexes that contained either HIV or hepatitis C virus (HCV) antigens. Unlike HCV antigen-containing complexes, the immune complexes that contained HIV antigens have been shown to activate peripheral blood T cells of uninfected donors under in vitro conditions. Both the antiviral antibodies and HIV antigen were involved in the activation process. The unique properties of the immune complexes formed by HIV antigens and antiviral antibodies are believed to result from the virus-specific antibody properties and molecular conformation of the antigen-antibody complex. PMID:27595830

  17. Ternary metal complexes of guaifenesin drug: Synthesis, spectroscopic characterization and in vitro anticancer activity of the metal complexes.

    PubMed

    Mahmoud, W H; Mahmoud, N F; Mohamed, G G; El-Sonbati, A Z; El-Bindary, A A

    2015-01-01

    The coordination behavior of a series of transition metal ions named Cr(III), Fe(III), Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) with a mono negative tridentate guaifenesin ligand (GFS) (OOO donation sites) and 1,10-phenanthroline (Phen) is reported. The metal complexes are characterized based on elemental analyses, IR, (1)H NMR, solid reflectance, magnetic moment, molar conductance, UV-vis spectral studies, mass spectroscopy, ESR, XRD and thermal analysis (TG and DTG). The ternary metal complexes were found to have the formulae of [M(GFS)(Phen)Cl]Cl·nH2O (M=Cr(III) (n=1) and Fe(III) (n=0)), [M(GFS)(Phen)Cl]·nH2O (M=Mn(II) (n=0), Zn(II) (n=0) and Cu(II) (n=3)) and [M(GFS)(Phen)(H2O)]Cl·nH2O (M=Co(II) (n=0), Ni(II) (n=0) and Cd(II) (n=4)). All the chelates are found to have octahedral geometrical structures. The ligand and its ternary chelates are subjected to thermal analyses (TG and DTG). The GFS ligand, in comparison to its ternary metal complexes also was screened for their antibacterial activity on gram positive bacteria (Bacillus subtilis and Staphylococcus aureus), gram negative bacteria (Escherichia coli and Neisseria gonorrhoeae) and for in vitro antifungal activity against (Candida albicans). The activity data show that the metal complexes have antibacterial and antifungal activity more than the parent GFS ligand. The complexes were also screened for its in vitro anticancer activity against the Breast cell line (MFC7) and the results obtained show that they exhibit a considerable anticancer activity. PMID:26067934

  18. Synthesis, spectroscopic, DFT calculations and biological activity studies of ruthenium carbonyl complexes with 2-picolinic acid and a secondary ligand

    NASA Astrophysics Data System (ADS)

    Shohayeb, Shahera M.; Mohamed, Rania G.; Moustafa, H.; El-Medani, Samir M.

    2016-09-01

    Thermal reaction of [Ru3(CO)12] with 2-picolinic acid (Hpic) in the absence and presence of a secondary ligand (pyridine, Py, bipyridine, Bipy, or thiourea, Tu) was investigated. Four complexes with molecular formulae: [Ru(CO)3(Hpic)], 1, [Ru2(CO)5(Hpic)(Py)], 2, [Ru2(CO)5(Hpic)(Tu)], 3 and [Ru2(CO)4(Hpic)(Bipy)], 4, were isolated. All complexes were characterized based on elemental analyses, IR, 1H NMR, magnetic studies, mass spectrometry and thermal analysis. The ligand and its complexes have been screened for antibacterial activities. Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p)_ level of theory have been carried out to investigate the equilibrium geometry of the ligands. The optimized geometry parameters of the complexes were evaluated using B3LYP method and LANL2DZ basis set. The extent of natural charge population (core, valence and rydberg), exact electronic configuration, total Lewis and total non-Lewis are estimated and discussed in terms of natural bond orbitals (NBO) analysis.

  19. Theory of polyelectrolyte adsorption on heterogeneously charged surfaces applied to soluble protein-polyelectrolyte complexes

    NASA Astrophysics Data System (ADS)

    de Vries, R.; Weinbreck, F.; de Kruif, C. G.

    2003-03-01

    Existing theoretical approaches to polymer adsorption on heterogeneous surfaces are applied to the problems of polyelectrolyte and polyampholyte adsorption on randomly charged surfaces. Also, analytical estimates are developed for the critical pH at which weakly charged polyelectrolytes and globular proteins start forming soluble complexes. Below a critical salt concentration, soluble complexes form "on the wrong side" of the protein isoelectric point due to the heterogeneity of the protein surface charge distribution. The analytical estimates are consistent with experimental data on soluble complexes in mixtures of gum arabic and whey protein isolate.

  20. Studies on the synthesis, characterization, human serum albumin binding and biological activity of single chain surfactant-cobalt(III) complexes.

    PubMed

    Vignesh, G; Sugumar, K; Arunachalam, S; Vignesh, S; Arthur James, R; Arun, R; Premkumar, K

    2016-03-01

    The interaction of surfactant-cobalt(III) complexes [Co(bpy)(dien)TA](ClO4)3 · 3H2O (1) and [Co(dien)(phen)TA](ClO4)3 · 4H2O (2), where bpy = 2,2'-bipyridine, dien = diethylenetriamine, phen = 1,10-phenanthroline and TA = tetradecylamine with human serum albumin (HSA) under physiological conditions was analyzed using steady state, synchronous, 3D fluorescence, UV/visabsorption and circular dichroism spectroscopic techniques. The results show that these complexes cause the fluorescence quenching of HSA through a static mechanism. The binding constant (Kb ) and number of binding-sites (n) were obtained at different temperatures. The corresponding thermodynamic parameters (∆G°, ∆H° and ∆S°) and Ea were also obtained. According to Förster's non-radiation energy transfer theory, the binding distance (r) between the complexes and HSA were calculated. The results of synchronous and 3D fluorescence spectroscopy indicate that the binding process has changed considerably the polarity around the fluorophores, along with changes in the conformation of the protein. The antimicrobial and anticancer activities of the complexes were tested and the results show that the complexes have good activities against pathogenic microorganisms and cancer cells. PMID:26250655

  1. Prediction of attendance at fitness center: a comparison between the theory of planned behavior, the social cognitive theory, and the physical activity maintenance theory.

    PubMed

    Jekauc, Darko; Völkle, Manuel; Wagner, Matthias O; Mess, Filip; Reiner, Miriam; Renner, Britta

    2015-01-01

    In the processes of physical activity (PA) maintenance specific predictors are effective, which differ from other stages of PA development. Recently, Physical Activity Maintenance Theory (PAMT) was specifically developed for prediction of PA maintenance. The aim of the present study was to evaluate the predictability of the future behavior by the PAMT and compare it with the Theory of Planned Behavior (TPB) and Social Cognitive Theory (SCT). Participation rate in a fitness center was observed for 101 college students (53 female) aged between 19 and 32 years (M = 23.6; SD = 2.9) over 20 weeks using a magnetic card. In order to predict the pattern of participation TPB, SCT and PAMT were used. A latent class zero-inflated Poisson growth curve analysis identified two participation patterns: regular attenders and intermittent exercisers. SCT showed the highest predictive power followed by PAMT and TPB. Impeding aspects as life stress and barriers were the strongest predictors suggesting that overcoming barriers might be an important aspect for working out on a regular basis. Self-efficacy, perceived behavioral control, and social support could also significantly differentiate between the participation patterns. PMID:25717313

  2. Prediction of attendance at fitness center: a comparison between the theory of planned behavior, the social cognitive theory, and the physical activity maintenance theory

    PubMed Central

    Jekauc, Darko; Völkle, Manuel; Wagner, Matthias O.; Mess, Filip; Reiner, Miriam; Renner, Britta

    2015-01-01

    In the processes of physical activity (PA) maintenance specific predictors are effective, which differ from other stages of PA development. Recently, Physical Activity Maintenance Theory (PAMT) was specifically developed for prediction of PA maintenance. The aim of the present study was to evaluate the predictability of the future behavior by the PAMT and compare it with the Theory of Planned Behavior (TPB) and Social Cognitive Theory (SCT). Participation rate in a fitness center was observed for 101 college students (53 female) aged between 19 and 32 years (M = 23.6; SD = 2.9) over 20 weeks using a magnetic card. In order to predict the pattern of participation TPB, SCT and PAMT were used. A latent class zero-inflated Poisson growth curve analysis identified two participation patterns: regular attenders and intermittent exercisers. SCT showed the highest predictive power followed by PAMT and TPB. Impeding aspects as life stress and barriers were the strongest predictors suggesting that overcoming barriers might be an important aspect for working out on a regular basis. Self-efficacy, perceived behavioral control, and social support could also significantly differentiate between the participation patterns. PMID:25717313

  3. Fast isolation of highly active photosystem II core complexes from spinach.

    PubMed

    Wang, Zhao-Gai; Xu, Tian-Hua; Liu, Cheng; Yang, Chun-Hong

    2010-09-01

    Purification of photosystem II (PSII) core complexes is a time-consuming and low-efficiency process. In order to isolate pure and active PSII core complexes in large amounts, we have developed a fast method to isolate highly active monomeric and dimeric PSII core complexes from spinach leaves by using sucrose gradient ultracentrifugation. By using a vertical rotor the process was completed significantly faster compared with a swing-out rotor. In order to keep the core complexes in high activity, the whole isolation procedure was performed in the presence of glycine betain and pH at 6.3. The isolated pigment-protein complexes were characterized by sodium dodecyl sulfate-polyacrylamide gel electrophoresis, absorption spectroscopy, 77 K fluorescence spectroscopy and high performance liquid chromatography. Our results show that this method is a better choice for quick and efficient isolation of functionally active PSII core complexes. PMID:20738723

  4. Characterization and Antioxidant Activity of Quercetin/Methyl-β-Cyclodextrin Complexes.

    PubMed

    Güleç, Kadri; Demirel, Müzeyyen

    2016-01-01

    Quercetin (Qu), a polyphenolic flavonoid, is one of the most effective plant originated antioxidants. Despite the potential use of Qu in clinical trials, low water solubility, stability problems and the scarcity of cellular bioavailability limit its applications. The purpose of this study was to enhance aqueous solubility, dissolution rate and antioxidant activity of Qu by complexation with Methyl-β- cyclodextrin (M-β-CD). Analyses results showed that the aqueous solubility, dissolution rate and antioxidant activity of the complex were increased 254-fold, ~3-fold and 10% respectively compared to the pure Qu. Complexes were prepared by freeze-drying and evaporation method. The characteristics of the complexes were evaluated by DSC, XRD, (1)H-NMR, FT-IR, SEM, encapsulation efficacy, in-vitro dissolution rate analyses. Antioxidant activity studies on complexes carried out with DPPH tests. Analyses results showed that the formation of the complexes resulted in enhanced solubility with increased its antioxidant activity of Qu. PMID:26521654

  5. Antimalarial, antimicrobial, cytotoxic, DNA interaction and SOD like activities of tetrahedral copper(II) complexes.

    PubMed

    Mehta, Jugal V; Gajera, Sanjay B; Patel, Mohan N

    2014-11-01

    The mononuclear copper(II) complexes with P, O-donor ligand and different fluoroquinolones have been synthesized and characterized by elemental analysis, electronic spectra, TGA, EPR, FT-IR and LC-MS spectroscopy. An antimicrobial efficiency of the complexes has been tested against five different microorganisms in terms of minimum inhibitory concentration (MIC) and displays very good antimicrobial activity. The binding strength and binding mode of the complexes with Herring Sperm DNA (HS DNA) have been investigated by absorption titration and viscosity measurement studies. The studies suggest the classical intercalative mode of DNA binding. Gel electrophoresis assay determines the ability of the complexes to cleave the supercoiled form of pUC19 DNA. Synthesized complexes have been tested for their SOD mimic activity using nonenzymatic NBT/NADH/PMS system and found to have good antioxidant activity. All the complexes show good cytotoxic and in vitro antimalarial activities. PMID:25467683

  6. Antimalarial, antimicrobial, cytotoxic, DNA interaction and SOD like activities of tetrahedral copper(II) complexes

    NASA Astrophysics Data System (ADS)

    Mehta, Jugal V.; Gajera, Sanjay B.; Patel, Mohan N.

    2015-02-01

    The mononuclear copper(II) complexes with P, O-donor ligand and different fluoroquinolones have been synthesized and characterized by elemental analysis, electronic spectra, TGA, EPR, FT-IR and LC-MS spectroscopy. An antimicrobial efficiency of the complexes has been tested against five different microorganisms in terms of minimum inhibitory concentration (MIC) and displays very good antimicrobial activity. The binding strength and binding mode of the complexes with Herring Sperm DNA (HS DNA) have been investigated by absorption titration and viscosity measurement studies. The studies suggest the classical intercalative mode of DNA binding. Gel electrophoresis assay determines the ability of the complexes to cleave the supercoiled form of pUC19 DNA. Synthesized complexes have been tested for their SOD mimic activity using nonenzymatic NBT/NADH/PMS system and found to have good antioxidant activity. All the complexes show good cytotoxic and in vitro antimalarial activities.

  7. Antimalarial and antimicrobial activities of 8-Aminoquinoline-Uracils metal complexes

    PubMed Central

    Phopin, Kamonrat; Sinthupoom, Nujarin; Treeratanapiboon, Lertyot; Kunwittaya, Sarun; Prachayasittikul, Supaluk; Ruchirawat, Somsak; Prachayasittikul, Virapong

    2016-01-01

    8-Aminoquinoline (8AQ) derivatives have been reported to have antimalarial, anticancer, and antioxidant activities. This study investigated the potency of 8AQ-5-substituted (iodo and nitro) uracils metal (Mn, Cu, Ni) complexes (1-6) as antimalarial and antimicrobial agents. Interestingly, all of these metal complexes (1-6) showed fair antimalarial activities. Moreover, Cu complexes 2 (8AQ-Cu-5Iu) and 5 (8AQ-Cu-5Nu) exerted antimicrobial activities against Gram-negative bacteria including P. shigelloides and S. dysenteriae. The results reveal application of 8AQ and its metal complexes as potential compounds to be further developed as novel antimalarial and antibacterial agents. PMID:27103894

  8. Plasticity of TOM complex assembly in skeletal muscle mitochondria in response to chronic contractile activity.

    PubMed

    Joseph, Anna-Maria; Hood, David A

    2012-03-01

    We investigated the assembly of the TOM complex within skeletal muscle under conditions of chronic contractile activity-induced mitochondrial biogenesis. Tom40 import into mitochondria was increased by chronic contractile activity, as was its time-dependent assembly into the TOM complex. These changes coincided with contractile activity-induced augmentations in the expression of key protein import machinery components Tim17, Tim23, and Tom22, as well as the cytosolic chaperone Hsp90. These data indicate the adaptability of the TOM protein import complex and suggest a regulatory role for the assembly of this complex in exercise-induced mitochondrial biogenesis. PMID:22142511

  9. Linkage Isomerism in Silver Acylpyrazolonato Complexes and Correlation with Their Antibacterial Activity.

    PubMed

    Marchetti, Fabio; Palmucci, Jessica; Pettinari, Claudio; Pettinari, Riccardo; Scuri, Stefania; Grappasonni, Iolanda; Cocchioni, Mario; Amati, Mario; Lelj, Francesco; Crispini, Alessandra

    2016-06-01

    Novel silver(I) acylpyrazolonato coordination polymers of formula [Ag(Q(R))]n (1-3) have been synthesized by interaction of silver nitrate with HQ(R) in methanol in the presence of an equivalent quantity of KOH (in general HQ(R) = 1-phenyl-3-methyl-4-RC(═O)-5-pyrazolone, in detail HQ(fb), R = -CF2CF2CF3; HQ(cy), R = -cyclo-C6H11; HQ(be), R = -C(H)═C(CH3)2). [Ag(Q(R))]n react with 2-ethylimidazole (2EtimH), 1-methylimidazole (Meim), and triphenylphosphine (PPh3), affording the mononuclear Ag(Q(fb))(EtimH) (4), Ag(Q(cy))(Meim)2 (5), Ag(Q(be))(Meim) (6), and Ag(Q(R))(PPh3)2 (7-9). All complexes have been analytically and spectroscopically characterized, and for some of them the X-ray crystal structure has been resolved. In particular, the single crystal molecular structure determination of Ag(Q(fb))(EtimH) and Ag(Q(be))(PPh3)2 has confirmed the different coordination modes of the HQ(fb) and HQ(be) acylpyrazolone ligands, the former being bound to the silver(I) ion in a monodentate fashion while the latter in the O2-chelating mode. Density functional theory computations suggest new insights about metal-ligand interactions and the observed linkage isomerism. While phosphine-containing complexes Ag(Q(R))(PPh3)2 (7-9) seem not to be able to efficiently inhibit the growth of Escherichia coli and Staphylococcus aureus, the polynuclear complexes [Ag(Q(R))]n (1-3) and the mononuclear Ag(Q(fb))(EtimH) (4), Ag(Q(cy))(Meim)2 (5), and Ag(Q(be))(Meim) (6) show a high and almost steady in time antibacterial activity, comparable to that of AgNO3. This activity is likely related to the degree of saturation of the silver center and to the presence of different ancillary ligands in the diverse typologies of complexes. PMID:27177324

  10. Complexation of Neptunium(V) with Glutaroimide Dioxime: A Study by Absorption Spectroscopy, Microcalorimetry, and Density Functional Theory Calculations.

    PubMed

    Ansari, Seraj A; Bhattacharyya, Arunasis; Zhang, Zhicheng; Rao, Linfeng

    2015-09-01

    Complexation of NpO2(+) ions with glutaroimide dioxime (H2L), a cyclic imide dioxime ligand that has been shown to form strong complexes with UO2(2+) in aqueous solutions, was studied by absorption spectroscopy and microcalorimetry in 1.0 M NaClO4 aqueous solutions. NpO2(+) forms two successive complexes, NpO2(HL)(aq) and NpO2(HL)2(-) (where HL(-) stands for the partially deprotonated glutaroimide dioxime ligand), with stability constants of log β111 = 17.8 ± 0.1 and log β122 = 33.0 ± 0.2, respectively. The complexation is both enthalpy- and entropy-driven, with negative enthalpies (ΔH111 = -52.3 ± 1.0 kJ/mol and ΔH122 = -96.1 ± 1.4 kJ/mol) and positive entropies (ΔS111 = 164 ± 3 J/mol/K and ΔS122 = 310 ± 4 J/mol/K). The thermodynamic parameters suggest that, similar to complexation of UO2(2+), the ligand coordinates with NpO2(+) in a tridentate mode, via the two oxygen atoms of the oxime groups and the nitrogen atom of the imide group. Density functional theory calculations have helped to interpret the optical absorption properties of the NpO2(HL)2(-) complex, by showing that the cis and trans configurations of the complex have very similar energies so that both configurations could be present in the aqueous solutions. It is the noncentrosymmetric cis configuration that makes the 5f → 5f transition allowable so that the NpO2(HL)2(-) complex absorbs in the near-IR region. PMID:26263050

  11. Surface complexes of acetate on edge surfaces of 2:1 type phyllosilicate: Insights from density functional theory calculation

    NASA Astrophysics Data System (ADS)

    Liu, Xiandong; Lu, Xiancai; Wang, Rucheng; Zhou, Huiqun; Xu, Shijin

    2008-12-01

    To explore the complexation mechanisms of carboxylate on phyllosilicate edge surfaces, we simulate acetate complexes on the (0 1 0) type edge of pyrophyllite by using density functional theory method. We take into account the intrinsic long-range order and all the possible complex sets under common environments. This study discloses that H-bonding interactions occur widely and play important roles in both inner-sphere and outer-sphere fashions. In inner-sphere complexes, one acetate C-O bond elongates to form a covalent bond with surface Al atom; the other C-O either forms a covalent bond with Al or interacts with surface hydroxyls via H-bonds. In outer-sphere complexes, the acetate can capture a proton from the surface groups to form an acid molecule. For the groups of both substrate and ligand, the variations in geometrical parameters caused by H-bonding interactions depend on the role it plays (i.e., proton donor or acceptor). By comparing the edge structures before and after interaction, we found that the carboxylate binding can modify the surface structures. In the inner-sphere complexes, the exposed Al atom can be stabilized by a single acetate ion through either monodentate or bidentate schemes, whereas the Al atoms complexing both an acetate and a hydroxyl may significantly deviate outwards from the bulk equilibrium positions. In the outer-sphere complexes, some H-bondings are strong enough to polarize the metal-oxygen bonds and therefore distort the local coordination structure of metal in the substrate, which may make the metal susceptible to release.

  12. Antileishmanial activity of ruthenium(II)tetraammine nitrosyl complexes.

    PubMed

    Pereira, José Clayston Melo; Carregaro, Vanessa; Costa, Diego Luís; da Silva, João Santana; Cunha, Fernando Q; Franco, Douglas Wagner

    2010-09-01

    The complexes trans-[Ru(NO)(NH(3))(4)L](X)(3) (X = BF(4)(-), PF(6)(-) or Cl(-) and L = N-heterocyclic ligands, P(OEt)(3), SO(3)(-2)), and [Ru(NO)Hedta)] were shown to exhibit IC(50pro) in the range of 36 (L = imN) to 5000 microM (L = imC). The inhibitory effects of trans-[Ru(NO)(NH(3))(4)imN](BF(4))(3) and of the Angeli's salt on the growth of the intramacrophage amastigote form studied were found to be similar while the trans-[Ru(NH(3))(4)imN(H(2)O)](2+) complex was found not to exhibit any substantial antiamastigote effect. The trans-[Ru(NO)(NH(3))(4)imN](BF(4))(3) compound, administered (500 nmol kg(-1) day(-1)) in BALB/c mice infected with Leishmania major, was found to exhibit a 98% inhibition on the parasite growth. Furthermore, this complex proved to be at least 66 times more efficient than glucantime in in vivo experiments. PMID:20598778

  13. Arene activation by a nonheme iron(III)-hydroperoxo complex: pathways leading to phenol and ketone products.

    PubMed

    Faponle, Abayomi S; Banse, Frédéric; de Visser, Sam P

    2016-07-01

    Iron(III)-hydroperoxo complexes are found in various nonheme iron enzymes as catalytic cycle intermediates; however, little is known on their catalytic properties. The recent work of Banse and co-workers on a biomimetic nonheme iron(III)-hydroperoxo complex provided evidence of its involvement in reactivity with arenes. This contrasts the behavior of heme iron(III)-hydroperoxo complexes that are known to be sluggish oxidants. To gain insight into the reaction mechanism of the biomimetic iron(III)-hydroperoxo complex with arenes, we performed a computational (density functional theory) study. The calculations show that iron(III)-hydroperoxo reacts with substrates via low free energies of activation that should be accessible at room temperature. Moreover, a dominant ketone reaction product is observed as primary products rather than the thermodynamically more stable phenols. These product distributions are analyzed and the calculations show that charge interaction between the iron(III)-hydroxo group and the substrate in the intermediate state pushes the transferring proton to the meta-carbon atom of the substrate and guides the selectivity of ketone formation. These studies show that the relative ratio of ketone versus phenol as primary products can be affected by external interactions of the oxidant with the substrate. Moreover, iron(III)-hydroperoxo complexes are shown to selectively give ketone products, whereas iron(IV)-oxo complexes will react with arenes to form phenols instead. PMID:27099221

  14. Effect of axial coordination on the electronic structure and biological activity of dirhodium(II,II) complexes.

    PubMed

    Aguirre, J Dafhne; Lutterman, Daniel A; Angeles-Boza, Alfredo M; Dunbar, Kim R; Turro, Claudia

    2007-09-01

    The reactivities toward biomolecules of a series of three dirhodium(II,II) complexes that possess an increasing number of accessible axial coordination sites are compared. In cis-[Rh2(OAc)2(np)2]2+ (1; np=1,8-naphthyridine) both axial sites are available for coordination, whereas for cis-[Rh2(OAc)2(np)(pynp)]2+ (2; pynp=2-(2-pyridyl)1,8-naphthyridine) and cis-[Rh2(OAc)2(pynp)2]2+ (3) the bridging pynp ligand blocks one and two of the axial coordination sites in the complexes, respectively. The electronic absorption spectra of the complexes are consistent with strong metal-to-ligand charge transfer transitions at low energy and ligand-centered peaks localized on the np and/or pynp ligands in the UV and near-UV regions. Time-dependent density functional theory calculations were used to aid in the assignments. The three complexes exhibit metal-centered oxidations and reductions, localized on the aromatic ligands. The ability of the complexes to stabilize duplex DNA and to inhibit transcription in vitro is greatly affected by the availability of an open axial coordination site. The present work shows that open axial coordination sites on the dirhodium complexes are necessary for biological activity. PMID:17685607

  15. Aqueous dispersions of magnetite nanoparticles complexed with copolyether dispersants: experiments and theory.

    PubMed

    Zhang, Qian; Thompson, M Shane; Carmichael-Baranauskas, Anita Y; Caba, Beth L; Zalich, Michael A; Lin, Yin-Nian; Mefford, O Thompson; Davis, Richey M; Riffle, Judy S

    2007-06-19

    Magnetite (Fe3O4) nanoparticles have been synthesized and complexed with carboxylate-functional block copolymers, and then aqueous dispersions of the complexes were investigated as functions of their chemical and morphological structures. The block copolymer dispersants had either poly(ethylene oxide), poly(ethylene oxide-co-propylene oxide), or poly(ethylene oxide-b-propylene oxide) outer blocks, and all of them had a polyurethane center block that contained pendent carboxylate groups. The complexes were formed through interactions of the carboxylates with the surfaces of the magnetite nanoparticles. The magnetite cores of the magnetite-copolymer complexes were near 10 nm in diameter, and the particles were superparamagnetic. Complexes with mass ratios of polymer to magnetite varying from 50:50 to 85:15 were studied. One of our objectives is to design complexes that form stable dispersions of discrete particles in water, yet that can be actuated (moved together) upon exposure to a uniform magnetic field. DLVO calculations that accounted for magnetic attractive interparticle forces, as well as van der Waals, steric, and electrostatic forces are presented. Compositions were identified wherein a shallow, attractive interparticle potential minimum appears once the magnetic term is applied. This suggests that it may be possible to tune the structures of superparamagnetic nanoparticle shells to allow discrete dispersions without a field, yet weak flocculation could be induced upon exposure to a field. PMID:17521205

  16. Cognitive Load Theory and Complex Learning: Recent Developments and Future Directions

    ERIC Educational Resources Information Center

    van Merrienboer, Jeroen J. G.; Sweller, John

    2005-01-01

    Traditionally, Cognitive Load Theory (CLT) has focused on instructional methods to decrease extraneous cognitive load so that available cognitive resources can be fully devoted to learning. This article strengthens the cognitive base of CLT by linking cognitive processes to the processes used by biological evolution. The article discusses recent…

  17. Theories of hydrophobic effects and the description of free volume in complex liquids

    SciTech Connect

    Pratt, L.R.; Garde, S.; Hummer, G.

    1998-12-31

    Recent progress on molecular theories of hydration of nonpolar solutes in liquid aqueous solution has lead to new ways to thinking about the old issue of free volume in liquids. This article surveys the principal new results with particular attention to the context of general issues of packing in liquids.

  18. Learner-Centred Pedagogy for Swim Coaching: A Complex Learning Theory-Informed Approach

    ERIC Educational Resources Information Center

    Light, Richard

    2014-01-01

    While constructivist theories of learning have been widely drawn on to understand and explain learning in games when using game-based approaches their use to inform pedagogy beyond games is limited. In particular, there has been little interest in applying constructivist perspectives on learning to sports in which technique is of prime importance.…

  19. "The Complexity of Experience": A Grounded Theory Exploration of Scholarly Practice

    ERIC Educational Resources Information Center

    Falciani-White, Nancy

    2013-01-01

    This grounded theory study explores the ways in which scholars conduct their research, including how they find and organize resources, how they identify and work with collaborators, how they interact with technology during the course of their research, and how they disseminate the results of a research project. Nine scholars were interviewed…

  20. Researching Contradictions: Cultural Historical Activity Theory Research (CHAT) in the English Classroom

    ERIC Educational Resources Information Center

    Thompson, Ian

    2015-01-01

    This article argues that Cultural Historical Activity Theory (CHAT) is an appropriate theoretical and methodological framework for researchers in English interested in the social contexts of culture and its relationship with the formation of mind and activity in the English classroom. Two key concepts in Vygotsky's thought central to understanding…

  1. Brief Report: The Theory of Planned Behaviour Applied to Physical Activity in Young People Who Smoke

    ERIC Educational Resources Information Center

    Everson, Emma S.; Daley, Amanda J.; Ussher, Michael

    2007-01-01

    It has been hypothesised that physical activity may be useful as a smoking cessation intervention for young adults. In order to inform such interventions, this study evaluated the theory of planned behaviour (TPB) for understanding physical activity behaviour in young smokers. Regular smokers aged 16-19 years (N=124), self-reported physical…

  2. Dialogue--Missing in Action Competence: A Cultural Historical Activity Theory Approach in a Botswana School

    ERIC Educational Resources Information Center

    Silo, Nthalivi

    2013-01-01

    An in-depth case study on children's participation in environmental management activities in a primary school in Botswana was undertaken, drawing on cultural historical activity theory (CHAT) and the action competence model. This research revealed that due to a lack of dialogue between teachers and children, teachers tended to view children's…

  3. Exploration of Tensions in a Mobile-Technology Supported Fieldtrip: An Activity Theory Perspective

    ERIC Educational Resources Information Center

    Lai, Chih-Hung; Chen, Fei-Ching; Yang, Jie-Chi

    2014-01-01

    The purpose of this study was to analyze how mobile technologies were incorporated and implemented in an outdoor learning activity. Two classes of primary school students participated in the experiment. Using activity theory as an analytical framework, it is found that underlying tensions provided rich insights into system dynamics and that…

  4. Activity Theory in Information Systems Research and Practice: Theoretical Underpinnings for an Information Systems Development Model

    ERIC Educational Resources Information Center

    Mursu, Anja; Luukkonen, Irmeli; Toivanen, Marika; Korpela, Mikko

    2007-01-01

    Introduction: The purpose of information systems is to facilitate work activities: here we consider how Activity Theory can be applied in information systems development. Method. The requirements for an analytical model for emancipatory, work-oriented information systems research and practice are specified. Previous research work in Activity…

  5. Contradictions between the Virtual and Physical High School Classroom: A Third-Generation Activity Theory Perspective

    ERIC Educational Resources Information Center

    Murphy, Elizabeth; Manzanares, Maria A. Rodriguez

    2008-01-01

    This paper uses a third-generation Activity Theory perspective to gain insight into the contradictions between the activity systems of the physical and virtual high school classroom from the perspective of teachers who had transitioned from one system to the other. Data collection relied on semi-structured interviews conducted with e-teachers as…

  6. Understanding Preschool Emergent Science in a Cultural Historical Context through Activity Theory

    ERIC Educational Resources Information Center

    Sundberg, Bodil; Areljung, Sofie; Due, Karin; Ekström, Kenneth; Ottander, Christina; Tellgren, Britt

    2016-01-01

    The aim of this study is to explore how cultural factors interact with preschool teachers' shaping of activities with science content, and also how Activity Theory (AT) as a theoretical framework can be useful for examining interrelations within preschool systems. Qualitative data was collected from three preschools in the form of guided group…

  7. Dynamical Theory of Activated Processes in Globular Proteins

    NASA Astrophysics Data System (ADS)

    Northrup, Scott H.; Pear, Michael R.; Lee, Chyuan-Yih; McCammon, J. Andrew; Karplus, Martin

    1982-07-01

    A methos is described for calculating the reaction rate in globular proteins of activated processes such as ligand binding or enzymatic catalysis. The method is based on the determination of the probability that the system is in the transition state and of the magnitude of the reactive flux for transition-state systems. An ``umbrella sampling'' simulation procedure is outlined for evaluating the transition-state probability. The reactive flux is obtained from an approach described previously for calculating the dynamics of transition-state trajectories. An application to the rotational isomerization of an aromatic ring in the bovine pancreatic trypsin inhibitor is presented. The results demonstrate the feasibility of calculating rate constants for reactions in proteins and point to the importance of solvent effects for reactions that occur near the protein surface.

  8. Dynamical theory of activated processes in globular proteins.

    PubMed Central

    Northrup, S H; Pear, M R; Lee, C Y; McCammon, J A; Karplus, M

    1982-01-01

    A method is described for calculating the reaction rate in globular proteins of activated processes such as ligand binding or enzymatic catalysis. The method is based on the determination of the probability that the system is in the transition state and of the magnitude of the reactive flux for transition-state systems. An "umbrella sampling" simulation procedure is outlined for evaluating the transition-state probability. The reactive flux is obtained from an approach described previously for calculating the dynamics of transition-state trajectories. An application to the rotational isomerization of an aromatic ring in the bovine pancreatic trypsin inhibitor is presented. The results demonstrate the feasibility of calculating rate constants for reactions in proteins and point to the importance of solvent effects for reactions that occur near the protein surface. PMID:6955788

  9. Modeling complexity in pathologist workload measurement: the Automatable Activity-Based Approach to Complexity Unit Scoring (AABACUS).

    PubMed

    Cheung, Carol C; Torlakovic, Emina E; Chow, Hung; Snover, Dale C; Asa, Sylvia L

    2015-03-01

    Pathologists provide diagnoses relevant to the disease state of the patient and identify specific tissue characteristics relevant to response to therapy and prognosis. As personalized medicine evolves, there is a trend for increased demand of tissue-derived parameters. Pathologists perform increasingly complex analyses on the same 'cases'. Traditional methods of workload assessment and reimbursement, based on number of cases sometimes with a modifier (eg, the relative value unit (RVU) system used in the United States), often grossly underestimate the amount of work needed for complex cases and may overvalue simple, small biopsy cases. We describe a new approach to pathologist workload measurement that aligns with this new practice paradigm. Our multisite institution with geographically diverse partner institutions has developed the Automatable Activity-Based Approach to Complexity Unit Scoring (AABACUS) model that captures pathologists' clinical activities from parameters documented in departmental laboratory information systems (LISs). The model's algorithm includes: 'capture', 'export', 'identify', 'count', 'score', 'attribute', 'filter', and 'assess filtered results'. Captured data include specimen acquisition, handling, analysis, and reporting activities. Activities were counted and complexity units (CUs) generated using a complexity factor for each activity. CUs were compared between institutions, practice groups, and practice types and evaluated over a 5-year period (2008-2012). The annual load of a clinical service pathologist, irrespective of subspecialty, was ∼40,000 CUs using relative benchmarking. The model detected changing practice patterns and was appropriate for monitoring clinical workload for anatomical pathology, neuropathology, and hematopathology in academic and community settings, and encompassing subspecialty and generalist practices. AABACUS is objective, can be integrated with an LIS and automated, is reproducible, backwards compatible

  10. The importance of behavior theory in control system modeling of physical activity sensor data.

    PubMed

    Riley, William T; Martin, Cesar A; Rivera, Daniel E

    2014-01-01

    Among health behaviors, physical activity has the most extensive record of research using passive sensors. Control systems and other system dynamic approaches have long been considered applicable for understanding human behavior, but only recently has the technology provided the precise and intensive longitudinal data required for these analytic approaches. Although sensors provide intensive data on the patterns and variations of physical activity over time, the influences of these variations are often unmeasured. Health behavior theories provide an explanatory framework of the putative mediators of physical activity changes. Incorporating the intensive longitudinal measurement of these theoretical constructs is critical to improving the fit of control system model of physical activity and for advancing behavioral theory. Theory-based control models also provide guidance on the nature of the controllers which serve as the basis for just-in-time adaptive interventions based on these control system models. PMID:25571577

  11. Cultural-historical activity theory: Vygotsky's forgotten and suppressed legacy and its implication for mathematics education

    NASA Astrophysics Data System (ADS)

    Roth, Wolff-Michael

    2012-03-01

    Cultural-historical activity theory—with historical roots in dialectical materialism and the social psychology to which it has given rise—has experienced exponential growth in its acceptance by scholars interested in understanding knowing and learning writ large. In education, this theory has constituted something like a well kept secret that is only in the process of gaining larger levels of acceptance. Mathematics educators are only beginning to realise the tremendous advantages that the theory provides over other theories. In this review essay, I articulate the theory as it may relate to the issues that concern mathematics education and educators with a particular focus on the way in which it addresses logical contradictions in existing theories.

  12. Recognizing Complex Upper Extremity Activities Using Body Worn Sensors

    PubMed Central

    Lemmens, Ryanne J. M.; Janssen-Potten, Yvonne J. M.; Timmermans, Annick A. A.; Smeets, Rob J. E. M.; Seelen, Henk A. M.

    2015-01-01

    To evaluate arm-hand therapies for neurological patients it is important to be able to assess actual arm-hand performance objectively. Because instruments that measure the actual quality and quantity of specific activities in daily life are lacking, a new measure needs to be developed. The aims of this study are to a) elucidate the techniques used to identify upper extremity activities, b) provide a proof-of-principle of this method using a set of activities tested in a healthy adult and in a stroke patient, and c) provide an example of the method’s applicability in daily life based on readings taken from a healthy adult. Multiple devices, each of which contains a tri-axial accelerometer, a tri-axial gyroscope and a tri-axial magnetometer were attached to the dominant hand, wrist, upper arm and chest of 30 healthy participants and one stroke patient, who all performed the tasks ‘drinking’, ‘eating’ and ‘brushing hair’ in a standardized environment. To establish proof-of-principle, a prolonged daily life recording of 1 participant was used to identify the task ‘drinking’. The activities were identified using multi-array signal feature extraction and pattern recognition algorithms and 2D-convolution. The activities ‘drinking’, ‘eating’ and ‘brushing hair’ were unambiguously recognized in a sequence of recordings of multiple standardized daily activities in a healthy participant and in a stroke patient. It was also possible to identify a specific activity in a daily life recording. The long term aim is to use this method to a) identify arm-hand activities that someone performs during daily life, b) determine the quantity of activity execution, i.e. amount of use, and c) determine the quality of arm-hand skill performance. PMID:25734641

  13. Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes

    SciTech Connect

    Escudero, Daniel E-mail: thiel@kofo.mpg.de; Thiel, Walter E-mail: thiel@kofo.mpg.de

    2014-05-21

    We report an assessment of the performance of density functional theory-based multireference configuration interaction (DFT/MRCI) calculations for a set of 3d- and 4d-transition metal (TM) complexes. The DFT/MRCI results are compared to published reference data from reliable high-level multi-configurational ab initio studies. The assessment covers the relative energies of different ground-state minima of the highly correlated CrF{sub 6} complex, the singlet and triplet electronically excited states of seven typical TM complexes (MnO{sub 4}{sup −}, Cr(CO){sub 6}, [Fe(CN){sub 6}]{sup 4−}, four larger Fe and Ru complexes), and the corresponding electronic spectra (vertical excitation energies and oscillator strengths). It includes comparisons with results from different flavors of time-dependent DFT (TD-DFT) calculations using pure, hybrid, and long-range corrected functionals. The DFT/MRCI method is found to be superior to the tested TD-DFT approaches and is thus recommended for exploring the excited-state properties of TM complexes.

  14. Adsorption of a metalorganic complex at a metal surface: A density functional theory study vs. model description

    SciTech Connect

    Kostyrko, T. Ślusarski, T.

    2015-01-21

    A modification of the electronic and magnetic structure of a metalorganic complex by chemisorption at a metallic surface is addressed. The density functional theory (DFT) is applied to investigate a simplified form of a copper-dioxolene complex in a free state and connected to Au(111) surface with alkanethiol linkers. A systematic study of the dependence of the system electronic structure on the linker length is performed. It is found that the electronic structure of the complex is well preserved during the adsorption process. The magnetic moment of the Cu-dioxolene functional group is shown to be strictly correlated with the amount of the charge residing at the complex. On the basis of the DFT results, a model Hamiltonian of the adsorbed metalorganic system is proposed. The model is an extension of the Sandorfy's model of the alkanes and includes explicitly Coulomb interaction between electrons both within the alkane's backbone and the end group. We show that the latter feature is necessary to understand the evolution of the system's properties with the length of the linkers. The advantage of this approach is that it not only reproduces the main results of our DFT analysis but also provides a simple common basis to analyse a wide class of metal complexes bound to metal surfaces with alkanethiol linkers.

  15. Complex structures for an S-matrix of Klein-Gordon theory on AdS spacetimes

    NASA Astrophysics Data System (ADS)

    Dohse, Max; Oeckl, Robert

    2015-05-01

    While the standard construction of the S-matrix fails on anti-de Sitter (AdS) spacetime, a generalized S-matrix makes sense, based on the hypercylinder geometry induced by the boundary of AdS. In contrast to quantum field theory in Minkowski spacetime, there is not yet a standard way to resolve the quantization ambiguities arising in its construction. These ambiguities are conveniently encoded in the choice of a complex structure. We explore in this paper the space of complex structures for real scalar Klein-Gordon theory based on a number of criteria. These are: invariance under AdS isometries, induction of a positive definite inner product, compatibility with the standard S-matrix picture and recovery of standard structures in Minkowski spacetime under a limit of vanishing curvature. While there is no complex structure that satisfies all demands, we emphasize two interesting candidates that satisfy most: in one case we have to give up part of the isometry invariance, and in the other case the induced inner product is indefinite.

  16. Theory, Investigation and Stability of Cathode Electrocatalytic Activity

    SciTech Connect

    Ding, Dong; Liu, Mingfei; Lai, Samson; Blinn, Kevin; Liu, Meilin

    2012-09-30

    The main objective of this project is to systematically characterize the surface composition, morphology, and electro-catalytic properties of catalysts coated on LSCF, aiming to establish the scientific basis for rational design of high-performance cathodes by combining a porous backbone (such as LSCF) with a thin catalyst coating. The understanding gained will help us to optimize the composition and morphology of the catalyst layer and microstructure of the LSCF backbone for better performance. More specifically, the technical objectives include: (1) to characterize the surface composition, morphology, and electro-catalytic properties of catalysts coated on LSCF; (2) to characterize the microscopic details and stability of the LSCF-catalyst (e.g., LSM) interfaces; (3) to establish the scientific basis for rational design of high-performance cathodes by combining a porous backbone (such as LSCF) with a thin catalyst coating; and (4) to demonstrate that the performance and stability of porous LSCF cathodes can be enhanced by the application of a thin-film coating of LSM through a solution infiltration process in small homemade button cells and in commercially available cells of larger dimension. We have successfully developed dense, conformal LSM films with desired structure, composition, morphology, and thickness on the LSCF surfaces by two different infiltration processes: a non-aqueous and a water-based sol-gel process. It is demonstrated that the activity and stability of LSCF cathodes can be improved by the introduction of a thin-film LSM coating through an infiltration process. Surface and interface of the LSM-coated LSCF cathode were systematically characterized using advanced microscopy and spectroscopy techniques. TEM observation suggests that a layer of La and Sr oxide was formed on LSCF surfaces after annealing. With LSM infiltration, in contrast, we no longer observe such La/Sr oxide layer on the LSM-coated LSCF samples after annealing under similar

  17. Complexity of spatiotemporal traffic phenomena in flow of identical drivers: Explanation based on fundamental hypothesis of three-phase theory

    NASA Astrophysics Data System (ADS)

    Kerner, Boris S.

    2012-03-01

    Based on numerical simulations of a stochastic three-phase traffic flow model, we reveal the physics of the fundamental hypothesis of three-phase theory that, in contrast with a fundamental diagram of classical traffic flow theories, postulates the existence of a two-dimensional (2D) region of steady states of synchronized flow where a driver makes an arbitrary choice of a space gap (time headway) to the preceding vehicle. We find that macroscopic and microscopic spatiotemporal effects of the entire complexity of traffic congestion observed up to now in real measured traffic data can be explained by simulations of traffic flow consisting of identical drivers and vehicles, if a microscopic model used in these simulations incorporates the fundamental hypothesis of three-phase theory. It is shown that the driver's choice of space gaps within the 2D region of synchronized flow associated with the fundamental hypothesis of three-phase theory can qualitatively change types of congested patterns that can emerge at a highway bottleneck. In particular, if drivers choose long enough spaces gaps associated with the fundamental hypothesis, then general patterns, which consist of synchronized flow and wide moving jams, do not emerge independent of the flow rates and bottleneck characteristics: Even at a heavy bottleneck leading to a very low speed within congested patterns, only synchronized flow patterns occur in which no wide moving jams emerge spontaneously.

  18. Tracking Activities in Complex Settings Using Smart Environment Technologies

    PubMed Central

    Singla, Geetika; Cook, Diane J.; Schmitter-Edgecombe, Maureen

    2009-01-01

    The pervasive sensing technologies found in smart homes offer unprecedented opportunities for providing health monitoring and assistance to individuals experiencing difficulties living independently at home. A primary challenge that needs to be tackled to meet this need is the ability to recognize and track functional activities that people perform in their own homes and everyday settings. In this paper we look at approaches to perform real-time recognition of Activities of Daily Living. We enhance other related research efforts to develop approaches that are effective when activities are interrupted and interleaved. To evaluate the accuracy of our recognition algorithms we assess them using real data collected from participants performing activities in our on-campus smart apartment testbed. PMID:20019890

  19. Description of earthquake sequences using complex network theory: the cases of Italy (L'Aquila, 2009) and Southern California (Baja, 2010)

    NASA Astrophysics Data System (ADS)

    Daskalaki, E.; Papadopoulos, G. A.; Minadakis, G.; Spiliotis, K.; Siettos, C.

    2013-12-01

    Complex networks pertain to the structure of many real-world systems influencing their dynamics. Earthquakes are a highly complex natural process that develops in the space-time-size domains given that the state of the seismogenic layer of the Earth is characterized by self-organized criticality. Over the last years, complex network theory was tested as a tool to quantify the topological characteristics of seismic activity aiming to investigate possible correlation patterns between earthquakes. With the aid of complex network theory, we have analyzed foreshock and aftershock sequences associated with the mainshocks of L'Aquila (Italy), 6th April 2009, Mw=6.3, and of Baja (Southern California) 4th April 2010, Mw=7.2. After testing the catalogues for data completeness on the basis of the magnitude-frequency relationship, we selected magnitude cut-off of 1.3 and 1.0, respectively. We constructed the underlying network that describes the evolution of the two sequences in space and extracted the statistical properties of the underlying topology resulting in characteristic scale-free and small-world structures. We found that the corresponding earthquake networks form a scale-free degree distribution and we computed their basic statistical measures, such as the Average Clustering Coefficient, Mean Path Length and Entropy. Taking into account a spatio-temporal sensitivity analysis, we found that the statistical measures of the two networks change considerably before and after the two main shocks, thus underlying the space-time clustering of the sequences. Our findings are in agreement with the ones obtained by using well established classical methods of statistical seismology. Thus, we believe that the proposed approach has the potential to serve as a supplementary or stand-alone methodology towards the better assessment of seismicity clusters

  20. Free Energy and Virtual Reality in Neuroscience and Psychoanalysis: A Complexity Theory of Dreaming and Mental Disorder

    PubMed Central

    Hopkins, Jim

    2016-01-01

    The main concepts of the free energy (FE) neuroscience developed by Karl Friston and colleagues parallel those of Freud's Project for a Scientific Psychology. In Hobson et al. (2014) these include an innate virtual reality generator that produces the fictive prior beliefs that Freud described as the primary process. This enables Friston's account to encompass a unified treatment—a complexity theory—of the role of virtual reality in both dreaming and mental disorder. In both accounts the brain operates to minimize FE aroused by sensory impingements—including interoceptive impingements that report compliance with biological imperatives—and constructs a representation/model of the causes of impingement that enables this minimization. In Friston's account (variational) FE equals complexity minus accuracy, and is minimized by increasing accuracy and decreasing complexity. Roughly the brain (or model) increases accuracy together with complexity in waking. This is mediated by consciousness-creating active inference—by which it explains sensory impingements in terms of perceptual experiences of their causes. In sleep it reduces complexity by processes that include both synaptic pruning and consciousness/virtual reality/dreaming in REM. The consciousness-creating active inference that effects complexity-reduction in REM dreaming must operate on FE-arousing data distinct from sensory impingement. The most relevant source is remembered arousals of emotion, both recent and remote, as processed in SWS and REM on “active systems” accounts of memory consolidation/reconsolidation. Freud describes these remembered arousals as condensed in the dreamwork for use in the conscious contents of dreams, and similar condensation can be seen in symptoms. Complexity partly reflects emotional conflict and trauma. This indicates that dreams and symptoms are both produced to reduce complexity in the form of potentially adverse (traumatic or conflicting) arousals of amygdala

  1. Oxygen activation with transition metal complexes in aqueous solution

    SciTech Connect

    Bakac, Andreja

    2010-04-12

    Coordination to transition-metal complexes changes both the thermodynamics and kinetics of oxygen reduction. Some of the intermediates (superoxo, hydroperoxo, and oxo species) are close analogues of organic oxygen-centered radicals and peroxides (ROO{sm_bullet}, ROOH, and RO{sm_bullet}). Metal-based intermediates are typically less reactive, but more persistent, than organic radicals, which makes the two types of intermediates similarly effective in their reactions with various substrates. The self-exchange rate constant for hydrogen-atom transfer for the couples Cr{sub aq}OO{sup 2+}/Cr{sub aq}OOH{sup 2+} and L{sup 1}(H{sub 2}O)RhOO{sup 2+}/L{sup 1}(H{sub 2}O)RhOOH{sup 2+} was estimated to be 10{sup 1 {+-} 1} M{sup -1} s{sup -1}. The use of this value in the simplified Marcus equation for the Cr{sub aq}O{sup 2+}/Cr{sub aq}OOH{sup 2+} cross reaction provided an upper limit k{sub CrO,CrOH} {le} 10{sup (-2{+-}1)} M{sup -1} s{sup -1} for Cr{sub aq}O{sup 2+}/Cr{sub aq}OH{sup 2+} self-exchange. Even though superoxo complexes react very slowly in bimolecular self-reactions, extremely fast cross reactions with organic counterparts, i.e., acylperoxyl radicals, have been observed. Many of the intermediates generated by the interaction of O{sub 2} with reduced metal complexes can also be accessed by alternative routes, both thermal and photochemical.

  2. Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment

    NASA Astrophysics Data System (ADS)

    Petit, L.; Paudyal, D.; Mudryk, Y.; Gschneidner, K. A.; Pecharsky, V. K.; Lüders, M.; Szotek, Z.; Banerjee, R.; Staunton, J. B.

    2015-11-01

    We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f -electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar-1 for GdCd confirmed by our experimental measurements of +1.6 K kbar-1 . Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.

  3. Chaos Theory and James Joyce's "ulysses": Leopold Bloom as a Human COMPLEX@SYSTEM^

    NASA Astrophysics Data System (ADS)

    Mackey, Peter Francis

    1995-01-01

    These four ideas apply as much to our lives as to the life of Leopold Bloom: (1) A trivial decision can wholly change a life. (2) A chance encounter can dramatically alter life's course. (3) A contingent nexus exists between consciousness and environment. (4) A structure of meaning helps us interpret life's chaos. These ideas also relate to a contemporary science called by some "chaos theory." The connection between Ulysses and chaos theory enhances our understanding of Bloom's day; it also suggests that this novel may be about the real process of life itself. The first chapter explains how Joyce's own essays and comments to friends compel attention to the links between Ulysses and chaos theory. His scientific contemporaries anticipated chaos theory, and their ideas seem to have rubbed off on him. We see this in his sense of trivial things and chance, his modernistic organizational impulses, and the contingent nature of Bloom's experience. The second chapter studies what chaos theory and Joyce's ideas tell us about "Ithaca," the episode which particularly implicates our processes of interpreting this text as well as life itself as we face their chaos. The third chapter examines Bloom's close feel for the aboriginal world, a contingency that clarifies his vulnerability to trivial changes. The fourth chapter studies how Bloom's stream of consciousness unfolds--from his chance encounters with trivial things. Beneath this stream's seeming chaos, Bloom's distinct personality endures, similar to how Joyce's schemas give Ulysses an imbedded, underlying order. The fifth chapter examines how trivial perturbations, such as Lyons' misunderstanding about "Throwaway," produce small crises for Bloom, exacerbating his seeming impotence before his lonely "fate.". The final chapter analyzes Bloom's views that fate and chance dictate his life. His views provide an opportunity to explore the implications chaos theory has for our understanding of free will and determinism. Ultimately

  4. Diorganotin Complexes of a Thiosemicarbazone, Synthesis: Properties, X-Ray Crystal Structure, and Antiproliferative Activity of Diorganotin Complexes

    PubMed Central

    Wiecek, Joanna; Kovala-Demertzi, Dimitra; Ciunik, Zbigniew; Zervou, Maria; Demertzis, Mavroudis A.

    2010-01-01

    The synthesis and spectral characterization of novel diorganotin complexes with 3-hydroxypyridine-2-carbaldehyde thiosemicarbazone, H2L(1), [SnMe2(L)] (2), [SnBu2(L)] (3), and [SnPh2(L)] (4) are reported. The single-crystal X-ray structure of complex [SnPh2(L)(DMSO)] (5) shows that the ligand is doubly deprotonated and is coordinated as tridentate ligand. The six coordination number is completed by two carbon atoms of phenyl groups. There are two similar monomers 5a (Sn1) and 5b (Sn51) in the asymmetric unit. The monomers 5a and 5b are linked through intermolecular hydrogen bonds of N–H–O and C–H–S type. C–H → π, intermolecular interactions, intra- and intermolecular hydrogen bonds stabilize this structure and leads to aggregation and a supramolecular assembly. The IR and NMR (1H, 13C and 119Sn) spectroscopic data of the complexes are reported. The in vitro cytotoxic activity has been evaluated against the cells of three human cancer cell lines: MCF-7 (human breast cancer cell line), T-24 (bladder cancer cell line), A-549 (nonsmall cell lung carcinoma) and a mouse L-929 (a fibroblast-like cell line cloned from strain L). Compounds 1, 3, and 4 were found active against all four cell lines. Selectivity was observed for complexes 3 and 4 which were found especially active against MCF-7 and T-24 cancer cell lines. PMID:20689713

  5. Activation of isocyanate ligands in Ru25+ complexes

    NASA Astrophysics Data System (ADS)

    Barral, M. Carmen; Herrero, Santiago; Jiménez-Aparicio, Reyes; Priego, José L.; Torres, M. Rosario; Urbanos, Francisco A.

    2008-11-01

    The reaction of [Ru 2(O 2CMe)(DPhF) 3(H 2O)]BF 4 · 0.5CH 2Cl 2 (DphF dbnd N, N'-diphenylformidinate) with sodium cyanate leads to the substitution of the H 2O ligand giving Ru 2(NCO)(O 2CMe)(DPhF) 3 ( 1). In contrast, in the similar reaction of Ru 2Cl 2(DPhF) 3 with NaOCN one of the cyanate groups undergoes the addition of a MeOH molecule leading to the carbamate complex Ru 2(NCO)(NH(O)COMe)(DPhF) 3 ( 2). The spectroscopic properties of 1 and 2 are studied. Both complexes are paramagnetic showing the presence of three unpaired electrons with an important zero-field splitting and a small intermolecular antiferromagnetic interaction. The crystal structures of 1 · 3CHCl 3 and 2 · C 7H 8 · 0.5MeOH are also reported. Compound 2 represents the first example of a ruthenium paddlewheel compound with a carbamate ligand.

  6. Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study.

    PubMed

    Phung, Quan Manh; Wouters, Sebastian; Pierloot, Kristine

    2016-09-13

    The complete active space second order perturbation theory (CASPT2) can be extended to larger active spaces by using the density matrix renormalization group (DMRG) as solver. Two variants are commonly used: the costly DMRG-CASPT2 with exact 4-particle reduced density matrix (4-RDM) and the cheaper DMRG-cu(4)-CASPT2 in which the 4-cumulant is discarded. To assess the accuracy and limitations of the latter variant DMRG-cu(4)-CASPT2 we study the spin state energetics of iron porphyrin Fe(P) and its model compound FeL2, a model for the active center of NiFe hydrogenase, and manganese-oxo porphyrin MnO(P)(+); a series of excited states of chromium hexacarbonyl Cr(CO)6; and the interconversion of two Cu2O2(2+) isomers. Our results clearly show that PT2 on top of DMRG is essential in order to obtain quantitative results for transition metal complexes. Good results were obtained with DMRG-cu(4)-CASPT2 as compared to full CASPT2 and DMRG-CASPT2 in calculations with small- and medium-sized active spaces. In calculations with large-sized active spaces (∼30 active orbitals), the performance of DMRG-cu(4)-CASPT2 is less impressive due to the errors originating from both the finite number of renormalized states m and the 4-RDM approximation. PMID:27547847

  7. Interaction of drug based copper(II) complexes with Herring Sperm DNA and their biological activities

    NASA Astrophysics Data System (ADS)

    Patel, Mohan N.; Patel, Chintan R.; Joshi, Hardik N.

    2012-11-01

    Square pyramidal Cu(II) complexes with NS donor ligand and ciprofloxacin have been synthesized and characterized using analytical and spectral techniques. The synthesized complexes have been tested for their antimicrobial activity using double dilution technique in terms of minimum inhibitory concentration (MIC) and colony forming unit (CFU). The DNA binding ability of the complexes with Sperm Herring DNA has been performed using absorption titration and viscosity measurement. The nuclease activity of complexes with plasmid DNA (pUC19) has been carried out using agarose gel electrophoresis technique. Synthesized complexes have been tested for their SOD mimic activity using NBT/NADH/PMS system. The cytotoxic properties of metal complexes have been evaluated using brine shrimp lethality bioassay.

  8. Interaction of drug based copper(II) complexes with Herring Sperm DNA and their biological activities.

    PubMed

    Patel, Mohan N; Patel, Chintan R; Joshi, Hardik N

    2012-11-01

    Square pyramidal Cu(II) complexes with NS donor ligand and ciprofloxacin have been synthesized and characterized using analytical and spectral techniques. The synthesized complexes have been tested for their antimicrobial activity using double dilution technique in terms of minimum inhibitory concentration (MIC) and colony forming unit (CFU). The DNA binding ability of the complexes with Sperm Herring DNA has been performed using absorption titration and viscosity measurement. The nuclease activity of complexes with plasmid DNA (pUC19) has been carried out using agarose gel electrophoresis technique. Synthesized complexes have been tested for their SOD mimic activity using NBT/NADH/PMS system. The cytotoxic properties of metal complexes have been evaluated using brine shrimp lethality bioassay. PMID:22750339

  9. Application of Percolation Theory to Complex Interconnected Networks in Advanced Functional Composites

    NASA Astrophysics Data System (ADS)

    Hing, P.

    2011-11-01

    Percolation theory deals with the behaviour of connected clusters in a system. Originally developed for studying the flow of liquid in a porous body, the percolation theory has been extended to quantum computation and communication, entanglement percolation in quantum networks, cosmology, chaotic situations, properties of disordered solids, pandemics, petroleum industry, finance, control of traffic and so on. In this paper, the application of various models of the percolation theory to predict and explain the properties of a specially developed family of dense sintered and highly refractory Al2O3-W composites for potential application in high intensity discharge light sources such as high pressure sodium lamps and ceramic metal halide lamps are presented and discussed. The low cost, core-shell concept can be extended to develop functional composite materials with unusual dielectric, electrical, magnetic, superconducting, and piezoelectric properties starting from a classical insulator. The core shell concept can also be applied to develop catalysts with high specific surface areas with minimal amount of expensive platinium, palladium or rare earth nano structured materials for light harvesting, replicating natural photosynthesis, in synthetic zeolite composites for the cracking and separation of crude oil. There is also possibility of developing micron and nanosize Faraday cages for quantum devices, nano electronics and spintronics. The possibilities are limitless.

  10. Theory of Mind Development in Adolescence and Early Adulthood: The Growing Complexity of Recursive Thinking Ability

    PubMed Central

    Valle, Annalisa; Massaro, Davide; Castelli, Ilaria; Marchetti, Antonella

    2015-01-01

    This study explores the development of theory of mind, operationalized as recursive thinking ability, from adolescence to early adulthood (N = 110; young adolescents = 47; adolescents = 43; young adults = 20). The construct of theory of mind has been operationalized in two different ways: as the ability to recognize the correct mental state of a character, and as the ability to attribute the correct mental state in order to predict the character’s behaviour. The Imposing Memory Task, with five recursive thinking levels, and a third-order false-belief task with three recursive thinking levels (devised for this study) have been used. The relationship among working memory, executive functions, and linguistic skills are also analysed. Results show that subjects exhibit less understanding of elevated recursive thinking levels (third, fourth, and fifth) compared to the first and second levels. Working memory is correlated with total recursive thinking, whereas performance on the linguistic comprehension task is related to third level recursive thinking in both theory of mind tasks. An effect of age on third-order false-belief task performance was also found. A key finding of the present study is that the third-order false-belief task shows significant age differences in the application of recursive thinking that involves the prediction of others’ behaviour. In contrast, such an age effect is not observed in the Imposing Memory Task. These results may support the extension of the investigation of the third order false belief after childhood. PMID:27247645

  11. Soluble complement complex C5b-9 promotes microglia activation.

    PubMed

    Yang, Chao; Yang, Li; Liu, Yong

    2014-02-15

    Soluble C5b-9 has been described as a pro-inflammatory mediator that triggers cell activation rather than inducing cell death. Microglia is the most important immune cell involved in inflammatory response in the CNS. Although microglia activation induced by various stimuli has been well characterized, the role of C5b-9 in microglia has not been well studied. In the current experiment, we utilized assembled functional C5b-9 to treat microglia and analyzed the function. We found that soluble C5b-9 could promote microglia activation by up-regulation of costimulatory molecules and increase cytokine secretion. Our results suggested that soluble C5b-9 possessed immunoregulatory potential on microglia. PMID:24434076

  12. The Proximity Effect on Semiconducting Mineral Surfaces: A new aspect of Mineral Surface Reactivity and Surface Complexation Theory?

    SciTech Connect

    Becker, Udo; Rosso, Kevin M.; Hochella, Michael F.

    2001-07-01

    The observation and description of surface proximity effects, whereby the chemical reaction of one surface site influences the electronic structure and reactivity of neighboring or nearby sites, is presented in this study for semiconducting minerals pyrite (FeS2) and galena (PbS) using ab initio molecular orbital calculations as well as scanning tunneling microscopy and spectroscopy. Surface complexation theory, an important model for attachment/detachment reactions at mineral-water interfaces, will eventually need to be modified to include the influence of proximity effects.

  13. New approach to the complex-action problem and its application to a nonperturbative study of superstring theory

    NASA Astrophysics Data System (ADS)

    Anagnostopoulos, K. N.; Nishimura, J.

    2002-11-01

    Monte Carlo simulations of a system whose action has an imaginary part are considered to be extremely difficult. We propose a new approach to this ``complex-action problem,'' which utilizes a factorization property of distribution functions. The basic idea is quite general, and it removes the so-called overlap problem completely. Here we apply the method to a nonperturbative study of superstring theory using its matrix formulation. In this particular example, the distribution function turns out to be positive definite, which allows us to reduce the problem even further. Our numerical results suggest an intuitive explanation for the dynamical generation of 4D space-time.

  14. Radiation and scattering by thin-wire structures in the complex frequency domain. [electromagnetic theory for thin-wire antennas

    NASA Technical Reports Server (NTRS)

    Richmond, J. H.

    1974-01-01

    Piecewise-sinusoidal expansion functions and Galerkin's method are employed to formulate a solution for an arbitrary thin-wire configuration in a homogeneous conducting medium. The analysis is performed in the real or complex frequency domain. In antenna problems, the solution determines the current distribution, impedance, radiation efficiency, gain and far-field patterns. In scattering problems, the solution determines the absorption cross section, scattering cross section and the polarization scattering matrix. The electromagnetic theory is presented for thin wires and the forward-scattering theorem is developed for an arbitrary target in a homogeneous conducting medium.

  15. An Actor-Network Theory Analysis of Policy Innovation for Smoke-Free Places: Understanding Change in Complex Systems

    PubMed Central

    Borland, Ron; Coghill, Ken

    2010-01-01

    Complex, transnational issues like the tobacco epidemic are major challenges that defy analysis and management by conventional methods, as are other public health issues, such as those associated with global food distribution and climate change. We examined the evolution of indoor smoke-free regulations, a tobacco control policy innovation, and identified the key attributes of those jurisdictions that successfully pursued this innovation and those that to date have not. In doing so, we employed the actor-network theory, a comprehensive framework for the analysis of fundamental system change. Through our analysis, we identified approaches to help overcome some systemic barriers to the solution of the tobacco problem and comment on other complex transnational problems. PMID:20466949

  16. The Use of Complexity Theory and Strange Attractors to Understand and Explain Information System Development

    ERIC Educational Resources Information Center

    Tomasino, Arthur P.

    2013-01-01

    In spite of the best efforts of researchers and practitioners, Information Systems (IS) developers are having problems "getting it right". IS developments are challenged by the emergence of unanticipated IS characteristics undermining managers ability to predict and manage IS change. Because IS are complex, development formulas, best…

  17. Assessing Dimensionality of Noncompensatory Multidimensional Item Response Theory with Complex Structures

    ERIC Educational Resources Information Center

    Svetina, Dubravka

    2013-01-01

    The purpose of this study was to investigate the effect of complex structure on dimensionality assessment in noncompensatory multidimensional item response models using dimensionality assessment procedures based on DETECT (dimensionality evaluation to enumerate contributing traits) and NOHARM (normal ogive harmonic analysis robust method). Five…

  18. Navigating the Turbulent Waters of School Reform Guided by Complexity Theory

    ERIC Educational Resources Information Center

    White, David G.; Levin, James A.

    2016-01-01

    The goal of this research study has been to develop, implement, and evaluate a school reform design experiment at a continuation high school with low-income, low-performing underrepresented minority students. The complexity sciences served as a theoretical framework for this design experiment. Treating an innovative college preparatory program as…

  19. Exploring the Use of Complexity Theory and Action Research as Frameworks for Curriculum Change

    ERIC Educational Resources Information Center

    Wood, Phil; Butt, Graham

    2014-01-01

    This paper considers the impact of a small-scale action research project which focused on the development of an emergent approach to curriculum making in a general certificate in secondary education course in geography. In this context, we argue that complexity thinking offers a useful theoretical foundation from which to understand the nature of…

  20. Towards a Social Theory of School Administrative Practice in a Complex, Chaotic, Quantum World.

    ERIC Educational Resources Information Center

    Beavis, Allan K.

    Educational administration, like many other social sciences, has traditionally followed the rubrics of classical science with its emphasis on prediction and control and attempts to understand the whole by understanding in ever finer detail how the parts fit together. However, the "new" science (especially quantum mechanics, complexity, and chaos…

  1. When Complexity Theory Meets Critical Realism: A Platform for Research on Initial Teacher Education

    ERIC Educational Resources Information Center

    Cochran-Smith, Marilyn; Ell, Fiona; Grudnoff, Lexie; Ludlow, Larry; Haigh, Mavis; Hill, Mary

    2014-01-01

    Many scholars have concluded that teacher education research needs to take a complex view, resist simplification, and account more fully for teacher education's contexts and processes as well as its impact on teacher candidates' and school students' learning (Cochran-Smith & Zeichner, 2005; Grossman & McDonald, 2008; Opfer & Pedder,…

  2. Protopopov's ideas on habit formation and their relation to the Pavlovian theory of higher nervous activity.

    PubMed

    Windholz, G

    1999-01-01

    In 1929 Viktor P. Protopopov began to replicate E. L. Thorndike's animal experiments on habit acquisition. To determine the conditions necessary for habit formation, Protopopov used the natural experiment method, in which dogs encountered environments that prevented them from reaching a stimulus-bait. Not all dogs acquired the behavior necessary for obtaining the bait. Explaining the results within the framework of the Pavlovian theory of higher nervous activity, Protopopov concluded that habits were acquired when an active animal provoked by a bait-stimulus encountered an environmental barrier. The dogs tried a series of phylogenetic behaviors until the stimulus-bait was reached. The latter movements were retained, forming an ontogenetic habit. The dogs also learned not to produce the unsuccessful movements. In accord with the Pavlovian theory, individual differences in habit formation were related to temperament types. A critique of the Thorndikian Law of Effect is provided in terms of the Pavlovian theory of higher nervous activity. PMID:10696273

  3. Brains and Brawn: Complex Motor Activities to Maximize Cognitive Enhancement

    ERIC Educational Resources Information Center

    Moreau, David

    2015-01-01

    The target articles in this special issue address the timely question of embodied cognition in the classroom, and in particular the potential of this approach to facilitate learning in children. The interest for motor activities within settings that typically give little space to nontraditional content is proof of a shift from a Cartesian…

  4. Cognitive Activities in Complex Science Text and Diagrams

    ERIC Educational Resources Information Center

    Cromley, Jennifer G.; Snyder-Hogan, Lindsey E.; Luciw-Dubas, Ulana A.

    2010-01-01

    Ainsworth's (2006) DeFT framework posits that different representations may lead learners to use different strategies. We wanted to investigate whether students use different strategies, and more broadly, different cognitive activities in diagrams vs. in running text. In order to do so, we collected think-aloud protocol and other measures from 91…

  5. Antimycobacterial activity of bacteriocins and their complexes with liposomes

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Bacteriocins (Bcn) are natural peptides that are secreted by taxonomically distinct bacteria which exert bactericidal activity against other bacterial species. Their capacity to inhibit growth of virulent Mycobacterium tuberculosis H37Rv was evaluated in this study. Five Bcn were purified from sel...

  6. Dynamic workflow model for complex activity in intensive care unit.

    PubMed

    Bricon-Souf, N; Renard, J M; Beuscart, R

    1998-01-01

    Cooperation is very important in Medical care, especially in the Intensive Care Unit (ICU) where the difficulties increase which is due to the urgency of the work. Workflow systems are considered as well adapted to modelize productive work in business process. We aim at introducing this approach in the Health Care domain. We have proposed a conversation-based Workflow in order to modelize the therapeutics plan in the ICU [1]. But in such a complex field, the flexibility of the workflow system is essential for the system to be usable. In this paper, we focus on the main points used to increase the dynamicity. We report on affecting roles, highlighting information, and controlling the system We propose some solutions and describe our prototype in the ICU. PMID:10384452

  7. Analysis of the Effect of Water Activity on Ice Formation Using a New Theory of Nucleation

    NASA Technical Reports Server (NTRS)

    Barahona, Donifan

    2013-01-01

    In this work a new theory of nucleation is developed and used to investigate the effect of water activity on the formation of ice within super-cooled droplets. The new theory is based on a novel concept where the interface is assumed to be made of liquid molecules trapped by the solid matrix. Using this concept new expressions are developed for the critical ice germ size and the nucleation work, with explicit dependencies on temperature and water activity. However unlike previous approaches, the new theory does not depend on the interfacial tension between liquid and ice. Comparison against experimental results shows that the new theory is able to reproduce the observed effect of water activity on nucleation rate and freezing temperature. It allows for the first time a theoretical derivation of the constant shift in water activity between melting and nucleation. The new theory offers a consistent thermodynamic view of ice nucleation, simple enough to be applied in atmospheric models of cloud formation.

  8. Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory.

    PubMed

    Bao, Junwei Lucas; Zheng, Jingjing; Truhlar, Donald G

    2016-03-01

    Pressure-dependent reactions are ubiquitous in combustion and atmospheric chemistry. We employ a new calibration procedure for quantum Rice-Ramsperger-Kassel (QRRK) unimolecular rate theory within a chemical activation mechanism to calculate the pressure-falloff effect of a radical association with an aromatic ring. The new theoretical framework is applied to the reaction of H with toluene, which is a prototypical reaction in the combustion chemistry of aromatic hydrocarbons present in most fuels. Both the hydrogen abstraction reactions and the hydrogen addition reactions are calculated. Our system-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The new method avoids the need for the usual empirical estimations of the QRRK parameters, and it eliminates the need for variational transition state theory calculations as a function of energy, although in this first application we do validate the falloff curves by comparing SS-QRRK results without tunneling to multistructural microcanonical variational transition state theory (MS-μVT) rate constants without tunneling. At low temperatures, the two approaches agree well with each other, but at high temperatures, SS-QRRK tends to overestimate falloff slightly. We also show that the variational effect is important in computing the energy-resolved rate constants. Multiple-structure anharmonicity, torsional-potential anharmonicity, and high-frequency-mode vibrational anharmonicity are all included in the rate computations, and torsional anharmonicity effects on the density of states are investigated. Branching fractions, which are both temperature- and pressure-dependent (and for which only limited data is available from experiment), are predicted as a function of pressure. PMID:26841076

  9. Density Functional Theory Study of the Complexation of the Uranyl Dication with Anionic Phosphate Ligands with and without Water Molecules

    SciTech Connect

    Jackson, Virgil E.; Gutowski, Keith E.; Dixon, David A.

    2013-08-01

    The structures, vibrational frequencies and energetics of anhydrous and hydrated complexes of UO2 2+ with the phosphate anions H2PO4 -, HPO4 2-, and PO4 3- were predicted at the density functional theory (DFT) and MP2 molecular orbital theory levels as isolated gas phase species and in aqueous solution by using self-consistent reaction field (SCRF) calculations with different solvation models. The geometries and vibrational frequencies of the major binding modes for these complexes are compared to experiment where possible and good agreement is found. The uranyl moiety is nonlinear in many of the complexes, and the coordination number (CN) 5 in the equatorial plane is the predominant binding motif. The phosphates are found to bind in both monodentate and bidentate binding modes depending on the charge and the number of water molecules. The SCRF calculations were done with a variety of approaches, and different SCRF approaches were found to be optimal for different reaction types. The acidities of HxPO4 3-x in HxPO4 3-x(H2O)4, x = 0-3 complexes were calculated with different SCRF models and compared to experiment. Phosphate anions can displace water molecules from the first solvation shell at the uranyl exothermically. The addition of water molecules can cause the bonding of H2PO4 - and HPO4 2- to change from bidentate to monodentate exothermically while maintaining CN 5. The addition of water can generate monodentate structures capable of cross-linking to other uranyl phosphates to form the types of structures found in the solid state. [UO2(HPO4)(H2O)3] is predicted to be a strong base in the gas phase and in aqueous solution. It is predicted to be a much weaker acid than H3PO4 in the gas phase and in solution.

  10. N2 activation by an iron complex with a strong electron-donating iminophosphorane ligand.

    PubMed

    Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D; Masuda, Hideki

    2015-10-01

    A new tridentate cyclopentane-bridged iminophosphorane ligand, N-(2-diisopropylphosphinophenyl)-P,P-diisopropyl-P-(2-(2,6-diisopropylphenylamido)cyclopent-1-enyl)phosphoranimine (NpNPiPr), was synthesized and used in the preparation of a diiron dinitrogen complex. The reaction of the iron complex FeBr(NpNPiPr) with KC8 under dinitrogen yielded the dinuclear dinitrogen Fe complex [Fe(NpNPiPr)]2(μ-N2), which was characterized by X-ray analysis and resonance Raman and NMR spectroscopies. The X-ray analysis revealed a diiron complex bridged by the dinitrogen molecule, with each metal center coordinated by an NpNPiPr ligand and dinitrogen in a trigonal-monopyramidal geometry. The N–N bond length is 1.184(6) Å, and resonance Raman spectra indicate that the N–N stretching mode ν(14N2/15N2) is 1755/1700 cm–1. The magnetic moment of [Fe(NpNPiPr)]2(μ-N2) in benzene-d6 solution, as measured by 1H NMR spectroscopy by the Evans method, is 6.91μB (S = 3). The Mössbauer spectrum at 78 K showed δ = 0.73 mm/s and ΔEQ = 1.83 mm/s. These findings suggest that the iron ions are divalent with a high-spin configuration and that the N2 molecule has (N═N)2– character. Density functional theory calculations performed on [Fe(NpNPiPr)]2(μ-N2) also suggested that the iron is in a high-spin divalent state and that the coordinated dinitrogen molecule is effectively activated by π back-donation from the two iron ions (dπ) to the dinitrogen molecule (πx* and πy*). This is supported by cooperation between a large negative charge on the iminophosphorane ligand and strong electron donation and effective orbital overlap between the iron dπ orbitals and N2 π* orbitals supplied by the phosphine ligand. PMID:26135343

  11. Synthesis, characterization and investigation of antioxidant activity of cobalt quercetin complex

    NASA Astrophysics Data System (ADS)

    Birjees Bukhari, S.; Memon, Shahabuddin; Mahroof Tahir, M.; Bhanger, M. I.

    2008-12-01

    This article describes a novel synthesis of cobalt and quercetin·2H 2O complex in methanol, characterized by using elemental analysis, UV-visible, 1H NMR, TGA, DSC and IR spectrometric techniques. The formation of complex is deduced from the UV-visible spectra which shows that the successive formation of cobalt-quercetin complex occurs in a ratio of 2:1 (metal/ligand) stoichiometrically. The antioxidant activity of the complex was evaluated by using 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging method. In this work, we have shown that the metal complexed flavonoids are much more effective free radical scavengers than the free flavonoids.

  12. Ion-association complexes unite classical and non-classical theories for the biomimetic nucleation of calcium phosphate.

    PubMed

    Habraken, Wouter J E M; Tao, Jinhui; Brylka, Laura J; Friedrich, Heiner; Bertinetti, Luca; Schenk, Anna S; Verch, Andreas; Dmitrovic, Vladimir; Bomans, Paul H H; Frederik, Peter M; Laven, Jozua; van der Schoot, Paul; Aichmayer, Barbara; de With, Gijsbertus; DeYoreo, James J; Sommerdijk, Nico A J M

    2013-01-01

    Despite its importance in many industrial, geological and biological processes, the mechanism of crystallization from supersaturated solutions remains a matter of debate. Recent discoveries show that in many solution systems nanometre-sized structural units are already present before nucleation. Still little is known about the structure and role of these so-called pre-nucleation clusters. Here we present a combination of in situ investigations, which show that for the crystallization of calcium phosphate these nanometre-sized units are in fact calcium triphosphate complexes. Under conditions in which apatite forms from an amorphous calcium phosphate precursor, these complexes aggregate and take up an extra calcium ion to form amorphous calcium phosphate, which is a fractal of Ca(2)(HPO(4))(3)(2-) clusters. The calcium triphosphate complex also forms the basis of the crystal structure of octacalcium phosphate and apatite. Finally, we demonstrate how the existence of these complexes lowers the energy barrier to nucleation and unites classical and non-classical nucleation theories. PMID:23422675

  13. Predicting Water Activity for Complex Wastes with Solvation Cluster Equilibria (SCE) - 12042

    SciTech Connect

    Agnew, S.F.; Reynolds, J.G.; Johnston, C.T.

    2012-07-01

    Predicting an electrolyte mixture's water activity, i.e. the ratio of water vapor pressure over a solution with that of pure water, in principle reveals both boiling point and solubilities for that mixture. Better predictions of these properties helps support the ongoing missions to concentrate complex nuclear waste mixtures in order to conserve tank space and improved predictions of water activity will help. A new approach for predicting water activity, the solvation cluster equilibria (SCE) model, uses pure electrolyte water activities to predict water activity for a complex mixture of those electrolytes. An SCE function based on electrolyte hydration free energy and a standard Debye- Hueckel (DH) charge compression fits each pure electrolyte's water activity with three parameters. Given these pure electrolyte water activities, the SCE predicts any mixture water activity over a large range of concentration with an additional parameter for each mixture vector, the multinarity. In contrast to ionic strength, which scales with concentration, multinarity is related to the relative proportion of electrolytes in a mixture and can either increase or decrease the water activity prediction over a broad range of concentration for that mixture. The SCE model predicts water activity for complex electrolyte mixtures based on the water activities of pure electrolytes. Three parameter SCE functions fit the water activities of pure electrolytes and along with a single multinarity parameter for each mixture vector then predict the mixture water activity. Predictions of water activity can in principle predict solution electrolyte activity and this relationship will be explored in the future. Predicting electrolyte activities for complex mixtures provides a means of determining solubilities for each electrolyte. Although there are a number of reports [9, 10, 11] of water activity models for pure and binary mixtures of electrolytes, none of them compare measured versus calculated

  14. Bank robberies by an Asian gang: an assessment of the routine activities theory.

    PubMed

    Wang, John Z

    2002-10-01

    It was reported for the first time that a series of bank robberies were committed by an Asian gang group in a major southern city. The bank robberies showed a variety of operational methods. The purpose of this descriptive study is to apply the routine activities theory to explain the causal factors of the robberies. The analysis shows that the six Asian bank robberies resulted from a supply of motivated offenders, the availability of suitable targets, and a low level of capable guardians against crime. Findings suggest that crime-specific measures are an appropriate method for examining the merits of the routine activities theory. PMID:12365143

  15. Case study of a complex active-region filament eruption

    NASA Astrophysics Data System (ADS)

    Yan, X. L.; Qu, Z. Q.; Kong, D. F.; Deng, L. H.; Xue, Z. K.

    2013-09-01

    Context. We investigated a solar active-region filament eruption associated with a C6.6 class flare and a coronal mass ejection (CME) in NOAA active region 08858 on 2000 February 9. Aims: We aim to better understand the relationship between filament eruptions and the associated flares and CMEs. Methods: Using BBSO, SOHO/EIT, and TRACE observational data, we analyzed the process of the active-region filament eruption in the chromosphere and the corona. Using the SOHO/MDI magnetograms, we investigated the change of the magnetic fields in the photosphere. Using the GOES soft X-ray flux and the SOHO/LASCO images, we identified the flare and CME, which were associated with this active-region filament eruption. Results: The brightenings in the chromosphere are a precursor of the filament expansion. The eruption itself can be divided into four phases: In the initial phase, the intertwined bright and dark strands of the filament expand. Then, the bright strands are divided into three parts with different expansion velocity. Next, the erupting filament-carrying flux rope expands rapidly and combines with the lower part of the expanding bright strands. Finally, the filament erupts accompanied by other dark strands overlying the filament.The overlying magnetic loops and the expansion of the filament strands can change the direction of the eruption. Conclusions: The time delay between the velocity peaks of the filament and that of the two parts of the bright strands clearly demonstrates that the breakup of the bright loops tying on the filament into individual strands is important for its eruption. The eruption is a collection of multiple processes that are physically coupled rather than a single process.

  16. Reconstitution of active and stoichiometric multisubunit lysine acetyltransferase complexes in insect cells.

    PubMed

    Yan, Kezhi; Wu, Chao-Jung; Pelletier, Nadine; Yang, Xiang-Jiao

    2012-01-01

    Protein lysine acetyltransferases (KATs) catalyze acetylation of the ε-amino group on a specific lysine residue, and this posttranslational modification is important for regulating the function and activities of thousands of proteins in diverse organisms from bacteria to humans. Interestingly, many known KATs exist in multisubunit complexes and complex formation is important for their proper structure, function, and regulation. Thus, it is necessary to reconstitute enzymatically active complexes for studying the relationship between subunits and determining structures of the complexes. Due to inherent limitations of bacterial and mammalian expression systems, baculovirus-mediated protein expression in insect cells has proven useful for assembling such multisubunit complexes. Related to this, we have adopted such an approach for reconstituting active tetrameric complexes of monocytic leukemia zinc (MOZ, finger protein, recently renamed MYST3 or KAT6A) and MOZ-related factor (MORF, also known as MYST4 or KAT6B), two KATs directly linked to development of leukemia and self-renewal of stem cells. Herein, we use these complexes as examples to describe the related procedures. Similar methods have been used for reconstituting active complexes of histone deacetylases, lysine demethylases, and ubiquitin ligases, so this simple approach can be adapted for molecular dissection of various multisubunit complexes. PMID:22113293

  17. Effects of humic acid-metal complexes on hepatic carnitine palmitoyltransferase, carnitine acetyltransferase and catalase activities

    SciTech Connect

    Fungjou Lu; Youngshin Chen . Dept. of Biochemistry); Tienshang Huang . Dept. of Medicine)

    1994-03-01

    A significant increase in activities of hepatic carnitine palmitoyltransferase and carnitine acetyltransferase was observed in male Balb/c mice intraperitoneally injected for 40 d with 0.125 mg/0.1 ml/d humic acid-metal complexes. Among these complexes, the humic acid-As complex was relatively effective, whereas humic acid-25 metal complex was more effective, and humic acid-26 metal complex was most effective. However, humic acid or metal mixtures, or metal such as As alone, was not effective. Humic acid-metal complexes also significantly decreased hepatic catalase activity. A marked decrease of 60-kDa polypeptide in liver cytoplasm was also observed on SDS-polyacrylamide gel electrophoresis after the mice had been injected with the complexes. Morphological analysis of a histopathological biopsy of such treated mice revealed several changes in hepatocytes, including focal necrosis and cell infiltration, mild fatty changes, reactive nuclei, and hypertrophy. Humic acid-metal complexes affect activities of metabolic enzymes of fatty acids, and this results in accumulation of hydrogen peroxide and increase of the lipid peroxidation. The products of lipid peroxidation may be responsible for liver damage and possible carcinogenesis. Previous studies in this laboratory had shown that humic acid-metal complex altered the coagulation system and that humic acid, per se, caused vasculopathy. Therefore, humic acid-metal complexes may be main causal factors of not only so-called blackfoot disease, but also the liver cancer prevailing on the southwestern coast of Taiwan.

  18. Density functional theory investigations of the trivalent lanthanide and actinide extraction complexes with diglycolamides.

    PubMed

    Wang, Cong-Zhi; Lan, Jian-Hui; Wu, Qun-Yan; Zhao, Yu-Liang; Wang, Xiang-Ke; Chai, Zhi-Fang; Shi, Wei-Qun

    2014-06-21

    At present, designing novel ligands for efficient actinide extraction in spent nuclear fuel reprocessing is extremely challenging due to the complicated chemical behaviors of actinides, the similar chemical properties of minor actinides (MA) and lanthanides, and the vulnerability of organic ligands in acidic radioactive solutions. In this work, a quantum chemical study on Am(III), Cm(III) and Eu(III) complexes with N,N,N',N'-tetraoctyl diglycolamide (TODGA) and N,N'-dimethyl-N,N'-diheptyl-3-oxapentanediamide (DMDHOPDA) has been carried out to explore the extraction behaviors of trivalent actinides (An) and lanthanides (Ln) with diglycolamides from acidic media. It has been found that in the 1 : 1 (ligand : metal) and 2 : 1 stoichiometric complexes, the carbonyl oxygen atoms have stronger coordination ability than the ether oxygen atoms, and the interactions between metal cations and organic ligands are substantially ionic. The neutral ML(NO3)3 (M = Am, Cm, Eu) complexes seem to be the most favorable species in the extraction process, and the predicted relative selectivities are in agreement with experimental results, i.e., the diglycolamide ligands have slightly higher selectivity for Am(III) over Eu(III). Such a thermodynamical priority is probably caused by the higher stabilities of Eu(III) hydration species and Eu(III)-L complexes in aqueous solution compared to their analogues. In addition, our thermodynamic analysis from water to organic medium confirms that DMDHOPDA has higher extraction ability for the trivalent actinides and lanthanides than TODGA, which may be due to the steric hindrance of the bulky alkyl groups of TODGA ligands. This work might provide an insight into understanding the origin of the actinide selectivity and a theoretical basis for designing highly efficient extractants for actinide separation. PMID:24769618

  19. Generalized synchronization in the complex network: theory and applications to epileptic brain

    NASA Astrophysics Data System (ADS)

    Moskalenko, Olga I.; Pivovarov, Anatoly A.; Pavlov, Alexey N.; Koronovskii, Alexey A.; Khramova, Marina V.; Hramov, Alexander E.

    2016-04-01

    Generalized synchronization in complex networks with chaotic dynamical systems being in their nodes has been studied. The synchronous regime is shown to be detected by the sign-change of the second positive Lyapunov exponent of the network or by the nearest neighbor method. The same method is shown to be applied for the detection of the synchronous regime between the different fields of epileptic brain.

  20. Dynamic workflow model for complex activity in intensive care unit.

    PubMed

    Bricon-Souf, N; Renard, J M; Beuscart, R

    1999-01-01

    Co-operation is very important in Medical care, especially in the Intensive Care Unit (ICU) where the difficulties increase which is due to the urgency of the work. Workflow systems are considered as well adapted to modelize productive work in business process. We aim at introducing this approach in the Health Care domain. We have proposed a conversation-based workflow in order to modelize the therapeutics plan in the ICU [1]. But in such a complex field, the flexibility of the workflow system is essential for the system to be usable. We have concentrated on three main points usually proposed in the workflow models, suffering from a lack of dynamicity: static links between roles and actors, global notification of information changes, lack of human control on the system. In this paper, we focus on the main points used to increase the dynamicity. We report on affecting roles, highlighting information, and controlling the system. We propose some solutions and describe our prototype in the ICU. PMID:10193884