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Sample records for theory ii investigating

  1. Investigation of the Performance of Foot and Eye Care in Patients with Type II Diabetes in Fasa: An Application of the Theory of Planned Behavior

    Directory of Open Access Journals (Sweden)

    Ali Khani Jeihooni

    2016-12-01

    Full Text Available Background and Objectives: Diabetic foot ulcers and eye problems are the most frequent complications of patients with diabetes and can be controlled with care. This study aimed at investigating the situation of foot and eye care in patients with type II diabetes based on the Theory of Planned Behavior of Fasa. Materials and Methods: In this cross-sectional study, simple randomized sampling was used to select 151 patients with type II diabetes, who had referred to Shariati Teaching Hospital diabetic clinic, during year 2016. Data were gathered using a questionnaire including demographic data and measure theory of planned behavior (attitude, subjective norm, perceived behavioral control, and intention and the care of feet and eyes. Next, the data were entered in the SPSS statistical software, version 20 and analyzed using independent t test and descriptive statistical methods. P values of < 0.05 were considered statistically significant. Results: The mean age of participants was 52.17±12.41 and the mean duration of diabetes was 76.62±4.9. Knowledge on the care of feet and eyes was low. Foot and eye care, subjective norm and people are going to be at a moderate level. Among knowledge, attitude, subjective norm, perceived behavioral control, and intention, there was a significant correlation with performance (P<0.05. Knowledge, attitudes, perceived behavioral control, subjective norms, and intention were predictors of foot care and eye performance in patients with type 2 diabetes. Overall, variables predicted 31.6% of the performance of foot care and 28.4% of eye care. Conclusions: According to this study, design and implementation of training programs theory centered on promoting foot care and eye performance is recommended for patients with diabetes.

  2. Investigations into quantum theory and relativity theory

    International Nuclear Information System (INIS)

    Cox, I.D.

    1982-03-01

    This thesis falls into two parts. The first is concerned with damping theory as a particular approach to the description of the dynamical evolution of non-closed systems. Appealing ultimately to the Liouville/Von-Neuman equation in the weak coupling regime, the current-voltage characteristics of both the normal and Josephson tunnelling junctions, treated as open systems are obtained. It is then shown that the same results may be obtained via the combined scattering and density matrix formalism (which does not appeal to the Liouville/Von-Neuman equation), and that this method has certain advantages over the conventional formalism. In the second part an extended (non-quantum) theory of relativity in a five dimensional space is developed and a number of interesting consequences thereof obtained. In particular a generalised set of Maxwell equations for electro-dynamics is derived, and some of the implications of the new set of equations are described. Furthermore a treatment of the five-dimensional analogue of the Schwarzschild problem in general relativity is given, together with the resulting implications for planetary motion. (author)

  3. Theory investigation progress of DMAZ

    Science.gov (United States)

    Xie, Hui; Mu, Xiaogang; Zhang, Yue; Wang, Xuanjun

    2017-05-01

    The recent progress in the theoretical study of N, N-dimethyl-2-azidoethylamine (DMAZ), a new type of azide fuel, is summarized. Thermodynamic Properties (such as Enthalpy-of-Formation, Enthalpy-of-Vaporization, and Enthalpy-of-Sublimation), conformers, Spectrums, the Henry's constant, ignition delay et al. are studied by Density Functional Theory (DFT). It is proved that DMAZ has good performance with a density impulse 2.499 Ns/m3, and has a good application prospect in replacing the traditional hydrazine propellant methyl-hydrazine (MMH).

  4. Phonons: Theory and experiments II. Volume 2

    International Nuclear Information System (INIS)

    Bruesch, P.

    1986-01-01

    The present second volume titled as ''Phonons: Theory and Experiments II'', contains, a thorough study of experimental techniques and the interpretation of experimental results. This three-volume set tries to bridge the gap between theory and experiment, and is addressed to those working in both camps in the vast field of dynamical properties of solids. Topics presented in the second volume include; infrared-, Raman and Brillouin spectroscopy, interaction of X-rays with phonons, and inelastic neutron scattering. In addition an account is given of some other techniques, including ultrasonic methods, inelastic electron tunneling spectroscopy, point contact spectroscopy, and spectroscopy of surface phonons, thin films and adsorbates. Both experimental aspects and theoretical concepts necessary for the interpretation of experimental data are discussed. An attempt is made to present the descriptive as well as the analytical aspects of the topics. Simple models are often used to illustrate the basic concepts and more than 100 figures are included to illustrate both theoretical and experimental results. Many chapters contain a number of problems with hints and results giving additional information

  5. Investigations in Elementary Particle Theory

    Energy Technology Data Exchange (ETDEWEB)

    Weiler, Thomas J. [Vanderbilt Univ., Nashville, TN (United States); Kephart, Thomas W. [Vanderbilt Univ., Nashville, TN (United States); Scherrer, Robert J. [Vanderbilt Univ., Nashville, TN (United States)

    2014-07-02

    The research interests of our three Co-PI’s complement each other very well. Kephart works mainly on models of particle unification in four or higher dimensions, on aspects of gravity such as inflation, black-holes, and the very early Universe, and on applications of knot theory and topology to various physical systems (including gluon dynamics). Scherrer works mainly on aspects of the intermediate-aged Universe, including dark matter and dark energy, and particle physics in the early Universe. Weiler works mainly on neutrino physics, dark matter signatures, and extreme particle-astrophysics in the late Universe, including origins of the highest-energy cosmic-rays and gamma-rays, and the future potential of neutrino astrophysics. Kephart and Weiler have lately devoted some research attention to the LHC and its reach for probing physics beyond the Standard Model. During the 3-year funding period, our grant supported one postdoc (Chiu Man Ho) and partially supported two students, Peter Denton and Lingjun Fu. Chiu Man collaborated with all three of the Co-PI’s during the 3-year funding period and published 16 refereed papers. Chiu Man has gone on to a postdoc with Steve Hsu at Michigan State University. Denton and Fu will both receive their PhDs during the 2014-15 academic year. The total number of our papers published in refereed journals by the three co-PIs during the period of this grant (2011-present) is 54. The total number of talks given by the group members during this time period, including seminars, colloquia, and conference presentations, is 47. Some details of the accomplishments of our DOE funded researchers during the grant period include Weiler being named a Simons Fellow in 2013. He presented an invited TEDx talk in 2012. His paper on closed timelike curves (2013) garnered a great deal of national publicity. Scherrer’s paper on the “little rip” (2011) fostered a new area of cosmological research, and the name “little rip” has now entered

  6. Investigations in gauge theories, topological solitons and string theories

    International Nuclear Information System (INIS)

    1993-01-01

    This is the Final Report on a supported research project on theoretical particle physics entitled ''Investigations in Gauge Theories, Topological Solitons and String Theories.'' The major theme of particle theory pursued has been within the rubric of the standard model, particularly on the interplay between symmetries and dynamics. Thus, the research has been carried out primarily in the context of gauge with or without chiral fermions and in effective chiral lagrangian field theories. The topics studied include the physical implications of abelian and non-abelian anomalies on the spectrum and possible dynamical symmetry breaking in a wide range of theories. A wide range of techniques of group theory, differential geometry and function theory have been applied to probe topological and conformal properties of quantum field theories in two and higher dimensions, the breaking of global chiral symmetries by vector-like gauge theories such as QCD,the phenomenology of a possibly strongly interacting Higgs sector within the minimal standard model, and the relevance of solitonic ideas to non-perturbative phenomena at SSC energies

  7. Mode-coupling theory and bunch lengthening in SPEAR II

    International Nuclear Information System (INIS)

    Suzuki, T.; Chin, Y.; Satoh, K.

    1983-01-01

    A mode-coupling theory of bunched-beam instabilities is developed for a Gaussian bunch. The theory converts Sacherer's integral equation with mode coupling into a matrix eigenvalue problem. The present theory assumes well-defined azimuthal modes and takes into account radial modes which are expressed as superpositions of orthogonal functions. The theory is applied to bunch lengthening observed at SPEAR II. The theory explains qualitative features of the experimental results fairly well, but quantitative agreement is not too good. This is ascribed to insufficient knowledge of the coupling impedance of SPEAR II or to the possibility that such effects as radiation damping and quantum excitation should be included. (author)

  8. Heterotic/Type-II duality and its field theory avatars

    International Nuclear Information System (INIS)

    Kiritsis, Elias

    1999-01-01

    In these lecture notes, I will describe heterotic/type-II duality in six and four dimensions. When supersymmetry is the maximal N=4 it will be shown that the duality reduces in the field theory limit to the Montonen-Olive duality of N=4 Super Yang-Mills theory. We will consider further compactifications of type II theory on Calabi-Yau manifolds. We will understand the physical meaning of geometric conifold singularities and the dynamics of conifold transitions. When the CY manifold is a K3 fibration we will argue that the type-II ground-state is dual to the heterotic theory compactified on K3xT 2 . This allows an exact computation of the low effective action. Taking the field theory limit, α ' →0, we will recover the Seiberg-Witten non-perturbative solution of N=2 gauge theory

  9. Theory of superfluidity of helium II near the lambda point

    International Nuclear Information System (INIS)

    Ginzburg, V.L.; Sobyanin, A.A.

    1982-01-01

    The present state of the Psi theory of superfluidity of helium II near the lambda point is reviewed. The basic assumptions underlying this theory and the limits of its applicability are discussed. The results of the solution of some problems in the framework of the theory are presented and compared with experimental data. The necessity and possibility of further comparison of the theory with experiment are emphasized

  10. Biophysics and the microscopic theory of He II

    International Nuclear Information System (INIS)

    Chela-Flores, J.; Ghassib, H.B.

    1985-08-01

    Bose-Einstein condensation and solitonic propagation have recently been shown to be intimately related in biosystems. From our previous demonstration of the existence of solitons in a dilute Bose gas we set out the basis for a full microscopic theory of He II. This is used to understand recent experiments in He II, which are in apparent contradiction. New experiments are suggested by the microscopic theory. (author)

  11. Investigations of gas entrainment in KNK II

    International Nuclear Information System (INIS)

    Hoppe, P.; Massier, H.; Mitzel, F.; Vaeth, W.

    1979-08-01

    During commissioning of KNK II operational difficulties were encountered due to gas entrainment in the coolant. This gas entrainment caused negative reactivity fluctuations which tripped the reactor repeatedly. Since first investigations indicated one main cause of the gas entrainment and the existence of an accumulation process, a technical modification (installation of a throttle valve) for remedy was performed. This report describes the investigations made after the plant modification. The main objective was to test the effectiveness of the modifications and to look into the following still open problems: Localization of the gas storage, detection and estimation of a permanent gas entrainment and the analysis of positive power overshoots being observed in connection with the gas bubbles

  12. Introduction to string and superstring theory II

    International Nuclear Information System (INIS)

    Peskin, M.E.

    1987-03-01

    Conformal field theory is reviewed, then conformal invariance is used to rederive the basic results on the embedding dimensionality for bosonic and fermionic strings. The spectrum of the bosonic and the computation of scattering amplitudes are discussed. The formalism used is extended to clarify the origin of Yang-Mills gauge invariance in the open bosonic string theory. The question of the general-coordinate gauge invariance of string theory is addressed, presenting two disparate viewpoints on this question. A brief introduction is then given of the reduction from the idealized string theory in 10 extended dimensions to more realistic solutions in which all but 4 of these dimensions are compactified. The state of knowledge about the space-time supersymmetry of the superstring from the covariant viewpoint is outlined. An approach for identifying possible 6-dimensional spaces which might represent the form of the compact dimensions is discussed, and the orbifold scheme of compactification is presented. 77 refs., 18 figs

  13. Introduction to string and superstring theory II

    Energy Technology Data Exchange (ETDEWEB)

    Peskin, M.E.

    1987-03-01

    Conformal field theory is reviewed, then conformal invariance is used to rederive the basic results on the embedding dimensionality for bosonic and fermionic strings. The spectrum of the bosonic and the computation of scattering amplitudes are discussed. The formalism used is extended to clarify the origin of Yang-Mills gauge invariance in the open bosonic string theory. The question of the general-coordinate gauge invariance of string theory is addressed, presenting two disparate viewpoints on this question. A brief introduction is then given of the reduction from the idealized string theory in 10 extended dimensions to more realistic solutions in which all but 4 of these dimensions are compactified. The state of knowledge about the space-time supersymmetry of the superstring from the covariant viewpoint is outlined. An approach for identifying possible 6-dimensional spaces which might represent the form of the compact dimensions is discussed, and the orbifold scheme of compactification is presented. 77 refs., 18 figs. (LEW)

  14. Lagrangian intersection Floer theory anomaly and obstruction, part II

    CERN Document Server

    Fukaya, Kenji; Ohta, Hiroshi; Ono, Kaoru

    2009-01-01

    This is a two-volume series research monograph on the general Lagrangian Floer theory and on the accompanying homological algebra of filtered A_\\infty-algebras. This book provides the most important step towards a rigorous foundation of the Fukaya category in general context. In Volume I, general deformation theory of the Floer cohomology is developed in both algebraic and geometric contexts. An essentially self-contained homotopy theory of filtered A_\\infty algebras and A_\\infty bimodules and applications of their obstruction-deformation theory to the Lagrangian Floer theory are presented. Volume II contains detailed studies of two of the main points of the foundation of the theory: transversality and orientation. The study of transversality is based on the virtual fundamental chain techniques (the theory of Kuranishi structures and their multisections) and chain level intersection theories. A detailed analysis comparing the orientations of the moduli spaces and their fiber products is carried out. A self-co...

  15. Defects and diffusion, theory & simulation II

    CERN Document Server

    Fisher, David J

    2010-01-01

    This second volume in a new series covering entirely general results in the fields of defects and diffusion includes 356 abstracts of papers which appeared between the end of 2009 and the end of 2010. As well as the abstracts, the volume includes original papers on theory/simulation, semiconductors and metals: ""Predicting Diffusion Coefficients from First Principles ..."" (Mantina, Chen & Liu), ""Gouge Assessment for Pipes ..."" (Meliani, Pluvinage & Capelle), ""Simulation of the Impact Behaviour of ... Hollow Sphere Structures"" (Ferrano, Speich, Rimkus, Merkel & Öchsner), ""Elastic-Plastic

  16. Leptogenesis in unified theories with Type II see-saw

    International Nuclear Information System (INIS)

    Antusch, Stefan; King, Steve F.

    2006-01-01

    In some classes of flavour models based on unified theories with a type I see-saw mechanism, the prediction for the mass of the lightest right-handed neutrino is in conflict with the lower bound from the requirement of successful thermal leptogenesis. We investigate how lifting the absolute neutrino mass scale by adding a type II see-saw contribution proportional to the unit matrix can solve this problem. Generically, lifting the neutrino mass scale increases the prediction for the mass of the lightest right-handed neutrino while the decay asymmetry is enhanced and washout effects are reduced, relaxing the lower bound on the mass of the lightest right-handed neutrino from thermal leptogenesis. For instance in classes of unified theories where the lightest right-handed neutrino dominates the type I see-saw contribution, we find that thermal leptogenesis becomes possible if the neutrino mass scale is larger than about 0.15 eV, making this scenario testable by neutrinoless double beta decay experiments in the near future

  17. Early Tests of Piagetian Theory Through World War II.

    Science.gov (United States)

    Beins, Bernard C

    2016-01-01

    Psychologists recognized the importance of Jean Piaget's theory from its inception. Within a year of the appearance of his first book translated into English, The Language and Thought of the Child (J. Piaget, 1926) , it had been reviewed and welcomed; shortly thereafter, psychologists began testing the tenets of the theory empirically. The author traces the empirical testing of his theory in the 2 decades following publication of his initial book. A review of the published literature through the World War II era reveals that the research resulted in consistent failure to support the theoretical mechanisms that Piaget proposed. Nonetheless, the theory ultimately gained traction to become the bedrock of developmental psychology. Reasons for its persistence may include a possible lack of awareness by psychologists about the lack of empirical support, its breadth and complexity, and a lack of a viable alternate theory. As a result, the theory still exerts influence in psychology even though its dominance has diminished.

  18. Orbifolds of M-theory and type II string theories in two dimensions

    International Nuclear Information System (INIS)

    Roy, S.

    1997-01-01

    We consider several orbifold compactifications of M-theory and theircorresponding type II duals in two space-time dimensions. In particular, we show that while the orbifold compactification of M-theory on T 9 /J 9 is dual to the orbifold compactification of type IIB string theory on T 8 /I 8 , the same orbifold T 8 /I 8 of type IIA string theory is dual to M-theory compactified on a smooth product manifold K3 x T 5 . Similarly, while the orbifold compactification of M-theory on (K3 x T 5 )/σ. J 5 is dual to the orbifold compactification of type IIB string theory on (K3 x T 4 )/σ.I 4 , the same orbifold of type IIA string theory is dual to the orbifold T 4 x (K3 x S 1 )/σ.J 1 of M-theory. The spectrum of various orbifold compactifications of M-theory and type II string theories on both sides are compared giving evidence in favor of these duality conjectures. We also comment on a connection between the Dasgupta-Mukhi-Witten conjecture and the Dabholkar-Park-Sen conjecture for the six-dimensional orbifold models of type IIB string theory and M-theory. (orig.)

  19. Investigation of spontaneously broken gauge theories

    International Nuclear Information System (INIS)

    Nagy, T.

    1978-01-01

    Spontaneously broken gauge theories (SBGT) with effects treated perturbatively are investigated. The general structure of SBGT is exhibited and gauge invariant renormalization program for practical calculations is set up. The proof of renormalizability of Lee and Zinn-Justin are extended to the problems of SBGT. A general semisimple compact gauge group is used. Arbitrary fermion and scalar multiplets are considered. The structure of the Lagrangian is discussed. The problem of quantization is described and the definition of the generating functionals of the Green functions and the Green functions themselves is given

  20. Relational quadrilateralland II: The Quantum Theory

    Science.gov (United States)

    Anderson, Edward; Kneller, Sophie

    2014-04-01

    We provide the quantum treatment of the relational quadrilateral. The underlying reduced configuration spaces are ℂℙ2 and the cone over this. We consider exact free and isotropic HO potential cases and perturbations about these. Moreover, our purely relational kinematical quantization is distinct from the usual one for ℂℙ2, which turns out to carry absolutist connotations instead. Thus, this paper is the first to note absolute-versus-relational motion distinctions at the kinematical rather than dynamical level. It is also an example of value to the discussion of kinematical quantization along the lines of Isham, 1984. The relational quadrilateral is the simplest RPM whose mathematics is not standard in atomic physics (the triangle and four particles on a line are both based on 𝕊2 and ℝ3 mathematics). It is far more typical of the general quantum relational N-a-gon than the previously studied case of the relational triangle. We consider useful integrals as regards perturbation theory and the peaking interpretation of quantum cosmology. We subsequently consider problem of time (PoT) applications of this: quantum Kuchař beables, the Machian version of the semiclassical approach and the timeless naïve Schrödinger interpretation. These go toward extending the combined Machian semiclassical-Histories-Timeless Approach of [Int. J. Mod. Phys. D23 (2014) 1450014] to the case of the quadrilateral, which will be treated in subsequent papers.

  1. Exotic dual of type II double field theory

    Directory of Open Access Journals (Sweden)

    Eric A. Bergshoeff

    2017-04-01

    Full Text Available We perform an exotic dualization of the Ramond–Ramond fields in type II double field theory, in which they are encoded in a Majorana–Weyl spinor of O(D,D. Starting from a first-order master action, the dual theory in terms of a tensor–spinor of O(D,D is determined. This tensor–spinor is subject to an exotic version of the (self-duality constraint needed for a democratic formulation. We show that in components, reducing O(D,D to GL(D, one obtains the expected exotically dual theory in terms of mixed Young tableaux fields. To this end, we generalize exotic dualizations to self-dual fields, such as the 4-form in type IIB string theory.

  2. Syntheses, X-ray structures, solid state high-field electron paramagnetic resonance, and density-functional theory investigations on chloro and aqua Mn(II) mononuclear complexes with amino-pyridine pentadentate ligands.

    Science.gov (United States)

    Hureau, Christelle; Groni, Sihem; Guillot, Régis; Blondin, Geneviève; Duboc, Carole; Anxolabéhère-Mallart, Elodie

    2008-10-20

    The two pentadentate amino-pyridine ligands L5(2) and L5(3) (L5(2) and L5(3) stand for the N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine and the N-methyl-N,N',N'-tris(2-pyridylmethyl)propane-1,3-diamine, respectively) were used to synthesize four mononuclear Mn(II) complexes, namely [(L5(2))MnCl](PF6) (1(PF6)), [(L5(3))MnCl](PF6) (2(PF6)), [(L5(2))Mn(OH2)](BPh4)2 (3(BPh4)2), and [(L5(3))Mn(OH2)](BPh4)2 (4(BPh4)2). The X-ray diffraction studies revealed different configurations for the ligand L5(n) (n = 2, 3) depending on the sixth exogenous ligand and/or the counterion. Solid state high-field electron paramagnetic resonance spectra were recorded on complexes 1-4 as on previously described mononuclear Mn(II) systems with tetra- or hexadentate amino-pyridine ligands. Positive and negative axial zero-field splitting (ZFS) parameters D were determined whose absolute values ranged from 0.090 to 0.180 cm(-1). Density-functional theory calculations were performed unraveling that, in contrast with chloro systems, the spin-spin and spin-orbit coupling contributions to the D-parameter are comparable for mixed N,O-coordination sphere complexes.

  3. Theory of electron cyclotron heating in the Constance II experiment

    International Nuclear Information System (INIS)

    Mauel, M.E.

    1981-03-01

    The bounce-averaged quasi-linear equation for a non-relativistic mirror-confined plasma interacting with electromagnetic waves is derived for use in the study of ECRH of the Constance II mirror experiment. The derivations follows the more formal examples given by Berk for electrostatic waves and Bernstein and Baxter for relativistic plasmas. The validity of the theory is discussed by examining individual particle orbits in an EM field. The local dispersion relation is found while deriving a self-consistent WKB theory which can be used to estimate the power transferred from the launching horn to the plasma

  4. The water dimer II: Theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, Anamika; Xantheas, Sotiris S.; Saykally, Richard J.

    2018-03-29

    As the archetype of hydrogen bonding between water molecules, the water dimer has been extensively studied by both theory and experiment for nearly seven decades. In this article, we present a detailed chronological review of the theoretical advances using electronic structure methods pertaining to the structure, hydrogen bonding and vibrational spectroscopy of the water dimer as well as the role of its potential energy surface in the development of classical force fields to describe intermolecular interaction in clusters and liquid water.

  5. Investigations in Marine Chemistry: Salinity II.

    Science.gov (United States)

    Schlenker, Richard M.

    Presented is a science activity in which the student investigates methods of calibration of a simple conductivity meter via a hands-on inquiry technique. Conductivity is mathematically compared to salinity using a point slope formula and graphical techniques. Sample solutions of unknown salinity are provided so that the students can sharpen their…

  6. Type II Superstring Field Theory: Geometric Approach and Operadic Description

    CERN Document Server

    Jurco, Branislav

    2013-01-01

    We outline the construction of type II superstring field theory leading to a geometric and algebraic BV master equation, analogous to Zwiebach's construction for the bosonic string. The construction uses the small Hilbert space. Elementary vertices of the non-polynomial action are described with the help of a properly formulated minimal area problem. They give rise to an infinite tower of superstring field products defining a $\\mathcal{N}=1$ generalization of a loop homotopy Lie algebra, the genus zero part generalizing a homotopy Lie algebra. Finally, we give an operadic interpretation of the construction.

  7. Towards a comprehensive theory for He II: II. A temperature-dependent field-theoretic approach

    International Nuclear Information System (INIS)

    Chela-Flores, J.; Ghassib, H.B.

    1982-09-01

    New experimental aspects of He II are used as a guide towards a comprehensive theory in which non-zero temperature U(1) and SU(2) gauge fields are incorporated into a gauge hierarchy of effective Lagrangians. We conjecture that an SU(n) gauge-theoretic description of the superfluidity of 4 He may be obtained in the limit n→infinity. We indicate, however, how experiments may be understood in the zeroth, first and second order of the hierarchy. (author)

  8. Enhanced gauge symmetry in type II string theory

    International Nuclear Information System (INIS)

    Katz, S.; Ronen Plesser, M.

    1996-01-01

    We show how enhanced gauge symmetry in type II string theory compactified on a Calabi-Yau threefold arises from singularities in the geometry of the target space. When the target space of the type IIA string acquires a genus g curve C of A N-1 singularities, we find that an SU(N) gauge theory with g adjoint hypermultiplets appears at the singularity. The new massless states correspond to solitons wrapped about the collapsing cycles, and their dynamics is described by a twisted supersymmetric gauge theory on C x R 4 . We reproduce this result from an analysis of the S-dual D-manifold. We check that the predictions made by this model about the nature of the Higgs branch, the monodromy of period integrals, and the asymptotics of the one-loop topological amplitude are in agreement with geometrical computations. In one of our examples we find that the singularity occurs at strong coupling in the heterotic dual proposed by Kachru and Vafa. (orig.)

  9. Generating Quasigroups: A Group Theory Investigation

    Science.gov (United States)

    Lynch, Mark A. M.

    2011-01-01

    A procedure for generating quasigroups from groups is described, and the properties of these derived quasigroups are investigated. Some practical examples of the procedure and related results are presented.

  10. An investigation of the Sutcliffe development theory

    Science.gov (United States)

    Dushan, J. D.

    1973-01-01

    Two case studies were used to test the Sutcliffe-Peterssen development theory for both cyclonic and anticyclonic development over the eastern United States. Each term was examined to determine when and where it made a significant contribution to the development process. Results indicate the advection of vorticity at the level of non-divergence exerts the dominant influence for initial cyclone development, and that the thermal terms (advection of thickness, stability, and diabatic influence) become important after development has begun. Anticyclonic development, however, depends primarily on the stability term throughout the life cycle of the anticyclone. Simple procedures for forecasting the development and movement of cyclones and anticyclones are listed. These rules indicate that routine National Meteorological Center analyses may be used to locate areas where the positive advection of 500-mb vorticity, indicative of cyclonic development, coincides with regions of severe weather activity. The development of anticyclones also is predicted easily. Regions of increasing stability, indicating anticyclonic development, may be located by use of National Meteorological Center radar summaries and analyses for 1000-500-mb thickness. A test of these techniques found them to be satisfactory for the case examined.

  11. Mental disorder ethics: theory and empirical investigation

    Science.gov (United States)

    Eastman, N; Starling, B

    2006-01-01

    Mental disorders and their care present unusual problems within biomedical ethics. The disorders themselves invite an ethical critique, as does society's attitude to them; researching the diagnosis and treatment of mental disorders also presents special ethical issues. The current high profile of mental disorder ethics, emphasised by recent political and legal developments, makes this a field of research that is not only important but also highly topical. For these reasons, the Wellcome Trust's biomedical ethics programme convened a meeting, “Investigating Ethics and Mental Disorders”, in order to review some current research, and to stimulate topics and methods of future research in the field. The meeting was attended by policy makers, regulators, research funders, and researchers, including social scientists, psychiatrists, psychologists, lawyers, philosophers, criminologists, and others. As well as aiming to inspire a stronger research endeavour, the meeting also sought to stimulate an improved understanding of the methods and interactions that can contribute to “empirical ethics” generally. This paper reports on the meeting by describing contributions from individual speakers and discussion sections of the meeting. At the end we describe and discuss the conclusions of the meeting. As a result, the text is referenced less than would normally be expected in a review. Also, in summarising contributions from named presenters at the meeting it is possible that we have created inaccuracies; however, the definitive version of each paper, as provided directly by the presenter, is available at http://www.wellcome.ac.uk/doc.WTX025116.html. PMID:16446414

  12. Using Activity Theory as a Base for Investigating Language Teacher ...

    African Journals Online (AJOL)

    Using Activity Theory as a Base for Investigating Language Teacher Education through Digital Technology. ... Log in or Register to get access to full text downloads. ... how the platform has created tensions, contradictions and transformations.

  13. INVESTIGATION OF FISCAL AND BUDGETARY POLICIES BASED ON ECONOMIC THEORIES

    Directory of Open Access Journals (Sweden)

    EMILIA CAMPEANU

    2011-04-01

    Full Text Available Empirical analysis of fiscal and budgetary policies cannot be achieved without first knowing how they are viewed in the economic theories. This approach is important to indicate the position and implications of fiscal and budgetary policy tools in the economic theory considering their major differences. Therefore, the paper aims is to investigate the fiscal and budgetary policies based on economic theories such as neoclassical, Keynesian and neo-Keynesian theory in order to indicate their divergent points. Once known these approaches at the economic theory level is easier to establish the appropriate measures taking into consideration the framing of a country economy in a certain pattern. This work was supported from the European Social Fund through Sectoral Operational Programme Human Resources Development 2007-2013, project number POSDRU/89/1.5/S/59184 „Performance and excellence in postdoctoral research in Romanian economics science domain” (contract no. 0501/01.11.2010.

  14. Understanding women's mammography intentions: a theory-based investigation.

    Science.gov (United States)

    Naito, Mikako; O'Callaghan, Frances V; Morrissey, Shirley

    2009-01-01

    The present study compared the utility of two models (the Theory of Planned Behavior and Protection Motivation Theory) in identifying factors associated with intentions to undertake screening mammography, before and after an intervention. The comparison was made between the unique components of the two models. The effect of including implementation intentions was also investigated. Two hundred and fifty-one women aged 37 to 69 years completed questionnaires at baseline and following the delivery of a standard (control) or a protection motivation theory-based informational intervention. Hierarchical multiple regressions indicated that theory of planned behavior variables were associated with mammography intentions. Results also showed that inclusion of implementation intention in the model significantly increased the association with mammography intentions. The findings suggest that future interventions aiming to increase screening mammography participation should focus on the theory of planned behavior variables and that implementation intention should also be targeted.

  15. Light-front QCD. II. Two-component theory

    International Nuclear Information System (INIS)

    Zhang, W.; Harindranath, A.

    1993-01-01

    The light-front gauge A a + =0 is known to be a convenient gauge in practical QCD calculations for short-distance behavior, but there are persistent concerns about its use because of its ''singular'' nature. The study of nonperturbative field theory quantizing on a light-front plane for hadronic bound states requires one to gain a priori systematic control of such gauge singularities. In the second paper of this series we study the two-component old-fashioned perturbation theory and various severe infrared divergences occurring in old-fashioned light-front Hamiltonian calculations for QCD. We also analyze the ultraviolet divergences associated with a large transverse momentum and examine three currently used regulators: an explicit transverse cutoff, transverse dimensional regularization, and a global cutoff. We discuss possible difficulties caused by the light-front gauge singularity in the applications of light-front QCD to both old-fashioned perturbative calculations for short-distance physics and upcoming nonperturbative investigations for hadronic bound states

  16. Investigations on cooling with forced flow of He II

    International Nuclear Information System (INIS)

    Srinivasan, R.; Hofmann, A.

    1985-01-01

    Investigations on heat transfer to flowing subcooled He II at a pressure of 7 bar have been carried out. The value of the conductivity function, f(T), at a temperature greater than Tsub(max), drops rapidly with increasing pressure. Below Tsub(max) the change in f(T) with pressure is less drastic. The Gorter-Mellink constant Asub(GM), increases linearly with pressure in the range 1.5-2 K and its pressure coefficient at 1 bar is 0.038+-0.01 per bar, independent of temperature. The temperature distribution in the test section with and without flow is adequately described by the one-dimensional model discussed in Part 1. It is concluded that for heat transfer to He II in forced flow there is no advantage in working at pressures > 1 bar. (author)

  17. Four-dimensional boson field theory. II. Existence

    International Nuclear Information System (INIS)

    Baker, G.A. Jr.

    1986-01-01

    The existence of the continuum, quantum field theory found by Baker and Johnson [G. A. Baker, Jr. and J. D. Johnson, J. Phys. A 18, L261 (1985)] to be nontrivial is proved rigorously. It is proved to satisfy all usual requirements of such a field theory, except rotational invariance. Currently known information is consistent with rotational invariance however. Most of the usual properties of other known Euclidean boson quantum field theories hold here, in a somewhat weakened form. Summability of the sufficiently strongly ultraviolet cutoff bare coupling constant perturbation series is proved as well as a nonzero radius of convergence for high-temperature expansions of the corresponding continuous-spin Ising model. The description of the theory by these two series methods is shown to be equivalent. The field theory is probably not asymptotically free

  18. Quantal density functional theory II. Approximation methods and applications

    International Nuclear Information System (INIS)

    Sahni, Viraht

    2010-01-01

    This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy -- the Correlation-Kinetic effects -- are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces. (orig.)

  19. Investigation of eclipsing binary stars exhibiting calcium II emission

    International Nuclear Information System (INIS)

    Oliver, J.P.

    1974-01-01

    Three color photometry of some eclipsing binaries showing Calcium II emission is reported. A highly stable and accurate d.c. amplifier, and a new type digital averaging system are described. Past and current light curves of SS Boo, RS CVn, WY Cnc, WW Dra, UV Psc, Z Her, SS Cam, RW UMa, AR Lac, and RT Lac are discussed with particular emphasis on asymmetries in the heights of the maxima and variations in the depths of the minima. Both RS CVn and SS Boo show nearly sinusoidal variation outside eclipse. Spectra of SS Boo and RS CVn are discussed. The suggestion is made that many of these systems belong to a new category of variable eclipsing binary star. It is pointed out that most double line eclipsing binaries with late-type sub-giant secondary components fall into this group, and that many of the characteristics of this group are not easily explained on the basis of existing data and theory. Possible models are discussed and the need for future photometric and spectroscopic study is emphasized. (U.S.)

  20. SU(4) x U(1) gauge theory. II. CP nonconservation

    International Nuclear Information System (INIS)

    Deshpande, N.G.; Hwa, R.C.; Mannheim, P.D.

    1979-01-01

    We exploit the higher symmetry inherent in an SU(4) x U(1) gauge theory to construct a spontaneously broken theory of CP nonconservation. Higgs multiplets in the adjoint representation of SU(4) contain both even and odd CP fields; thus, requiring the simultaneous nonvanishing of the vacuum expectation values of these fields leads to CP noninvariance of the vacuum. We find that all the CP-nonconserving effects are mediated in our theory by the superheavy gauge bosons of the broken SU(4) x U(1) symmetry. In fact, the very existence of CP violation sets an upper limit on the masses of these bosons. In our model the dominant CP effect lies in the neutral kaon system and is found to arise through a direct (ΔS = 2) K 1 -K 2 transition. The model has all the features of a superweak theory, with a neutron electric dipole moment substantially smaller than 10 -24 e cm

  1. An Opponent-Process Theory of Motivation: II. Cigarette Addiction

    Science.gov (United States)

    Solomon, Richard L.; Corbit, John D.

    1973-01-01

    Methods suggested by opponent-process theory of acquired motivation in helping smokers to quit the habit include use of antagonistic drugs, total cessation from tobacco, and decrease in intensity and frequency of tobacco use. (DS)

  2. New Analysis and Theory of Deployable Folded Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — A recently developed mathematical folding theory has great value for deployable space structures and in situ manufacture of large beams, panels and cylinders. The...

  3. Markov traces and II1 factors in conformal field theory

    International Nuclear Information System (INIS)

    Boer, J. de; Goeree, J.

    1991-01-01

    Using the duality equations of Moore and Seiberg we define for every primary field in a Rational Conformal Field Theory a proper Markov trace and hence a knot invariant. Next we define two nested algebras and show, using results of Ocneanu, how the position of the smaller algebra in the larger one reproduces part of the duality data. A new method for constructing Rational Conformal Field Theories is proposed. (orig.)

  4. On SYM theory and all order bulk singularity structures of BPS strings in type II theory

    Science.gov (United States)

    Hatefi, Ehsan

    2018-06-01

    The complete forms of the S-matrix elements of a transverse scalar field, two world volume gauge fields, and a Potential Cn-1 Ramond-Ramond (RR) form field are investigated. In order to find an infinite number of t , s , (t + s + u)-channel bulk singularity structures of this particular mixed open-closed amplitude, we employ all the conformal field theory techniques to , exploring all the entire correlation functions and all order α‧ contact interactions to these supersymmetric Yang-Mills (SYM) couplings. Singularity and contact term comparisons with the other symmetric analysis, and are also carried out in detail. Various couplings from pull-Back of branes, Myers terms and several generalized Bianchi identities should be taken into account to be able to reconstruct all order α‧ bulk singularities of type IIB (IIA) superstring theory. Finally, we make a comment on how to derive without any ambiguity all order α‧ contact terms of this S-matrix which carry momentum of RR in transverse directions.

  5. Alternative basis for the theory of complex spectra II

    International Nuclear Information System (INIS)

    Harter, W.G.; Patterson, C.W.

    1975-01-01

    The atomic angular factor calculation methods are simplified and extended to include a treatment of spin-orbit operators and multiple shell configurations (II'...) sup(n). A tableau formula is given for the matrix between slater states and states of definite total spin

  6. Two Ramond-Ramond corrections to type II supergravity via field-theory amplitude

    Energy Technology Data Exchange (ETDEWEB)

    Bakhtiarizadeh, Hamid R. [Sirjan University of Technology, Department of Physics, Sirjan (Iran, Islamic Republic of)

    2017-12-15

    Motivated by the standard form of the string-theory amplitude, we calculate the field-theory amplitude to complete the higher-derivative terms in type II supergravity theories in their conventional form. We derive explicitly the O(α{sup '3}) interactions for the RR (Ramond-Ramond) fields with graviton, B-field and dilaton in the low-energy effective action of type II superstrings. We check our results by comparison with previous work that has been done by the other methods, and we find exact agreement. (orig.)

  7. Quantum field theory on discrete space-time. II

    International Nuclear Information System (INIS)

    Yamamoto, H.

    1985-01-01

    A quantum field theory of bosons and fermions is formulated on discrete Lorentz space-time of four dimensions. The minimum intervals of space and time are assumed to have different values in this paper. As a result the difficulties encountered in the previous paper (complex energy, incompleteness of solutions, and inequivalence between phase representation and momentum representation) are removed. The problem in formulating a field theory of fermions is solved by introducing a new operator and considering a theorem of translation invariance. Any matrix element given by a Feynman diagram is calculated in this theory to give a finite value regardless of the kinds of particles concerned (massive and/or massless bosons and/or fermions)

  8. Experimental investigation on transcritical heat transfer in He II

    International Nuclear Information System (INIS)

    Schwerdtner, M. v.

    1988-01-01

    The propagation of plane second-sound waves has been investigated in a quadratic channel of 2.6x2.6 cm 2 cross section and 8 cm length. The evolution of temperature, counterflow velocity, and superfluid vortex-line density has been measured. In agreement with current theories, the initial value of the vortex-line density remaining from the previous heat pulse increases induced by the counterflow velocity. If during the passage of the pulse enough vortex lines have been produced, the mutual friction force leads to a decrease of the counterflow velocity and hence of the heat flux. Then near the heater the energy is stored leading to a large rise in temperature instead of being transported by the second-sound wave. Further downstream, the mutual friction force is less significant, due to the decrease in counterflow velocity, resulting in the production of fewer superfluid vortex lines. Thus a (strongly damped) second-sound propagation takes place, superimposed by a diffusion process that causes the pulse to diverge during propagation. From a large number of temperature measurements, a criterion for the occurence of supercritical heat transport has been derived, taking into account bath temperature, pulse duration, heat flux and, in addition, the repetition rate, thus leading to a better approach to the measured values than current theories. (orig.)

  9. Abelian Chern endash Simons theory. II. A functional integral approach

    International Nuclear Information System (INIS)

    Manoliu, M.

    1998-01-01

    Following Witten, [Commun. Math. Phys. 21, 351 endash 399 (1989)] we approach the Abelian quantum Chern endash Simons (CS) gauge theory from a Feynman functional integral point of view. We show that for 3-manifolds with and without a boundary the formal functional integral definitions lead to mathematically proper expressions that agree with the results from the rigorous construction [J. Math. Phys. 39, 170 endash 206 (1998)] of the Abelian CS topological quantum field theory via geometric quantization. copyright 1998 American Institute of Physics

  10. Current-drive theory II: the lower-hybrid wave

    International Nuclear Information System (INIS)

    Fisch, N.J.

    1986-01-01

    The theory of current-drive seeks to predict the efficiency with which an external power source can produce current in a plasma torus. The theory, which is now well supported by experimental data, becomes especially simple in the important limit of lower-hybrid or electron-cyclotron waves interacting with superthermal electrons. The solution of an equation adjoint to the linearized Fokker-Planck equation gives both the steady-state and ramp-up current-drive efficiencies. Other phenomena, such as rf-induced runaway rates, rf-induced radiation, etc., may be calculated by this method, and analytical solutions have been obtained in several limiting cases. 12 refs

  11. KINETIC THEORY OF PLASMA WAVES: Part II: Homogeneous Plasma

    NARCIS (Netherlands)

    Westerhof, E.

    2010-01-01

    The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves are discussed in the limit of the cold

  12. Kinetic theory of plasma waves: Part II homogeneous plasma

    NARCIS (Netherlands)

    Westerhof, E.

    2000-01-01

    The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves are discussed in the limit of the cold

  13. Kinetic theory of plasma waves - Part II: Homogeneous plasma

    NARCIS (Netherlands)

    Westerhof, E.

    2008-01-01

    The theory of electromagnetic waves in a homogeneous plasma is reviewed. The linear response of the plasma to the waves is obtained in the form of the dielectric tensor. Waves ranging from the low frequency Alfven to the high frequency electron cyclotron waves axe discussed in the limit of the cold

  14. Braid group, knot theory and statistical mechanics II

    CERN Document Server

    Yang Chen Ning

    1994-01-01

    The present volume is an updated version of the book edited by C N Yang and M L Ge on the topics of braid groups and knot theory, which are related to statistical mechanics. This book is based on the 1989 volume but has new material included and new contributors.

  15. Beyond heat baths II: framework for generalized thermodynamic resource theories

    Science.gov (United States)

    Yunger Halpern, Nicole

    2018-03-01

    Thermodynamics, which describes vast systems, has been reconciled with small scales, relevant to single-molecule experiments, in resource theories. Resource theories have been used to model exchanges of energy and information. Recently, particle exchanges were modeled; and an umbrella family of thermodynamic resource theories was proposed to model diverse baths, interactions, and free energies. This paper motivates and details the family’s structure and prospective applications. How to model electrochemical, gravitational, magnetic, and other thermodynamic systems is explained. Szilárd’s engine and Landauer’s Principle are generalized, as resourcefulness is shown to be convertible not only between information and gravitational energy, but also among diverse degrees of freedom. Extensive variables are associated with quantum operators that might fail to commute, introducing extra nonclassicality into thermodynamic resource theories. An early version of this paper partially motivated the later development of noncommutative thermalization. This generalization expands the theories’ potential for modeling realistic systems with which small-scale statistical mechanics might be tested experimentally.

  16. Some findings on prospect and refuge theory: II.

    Science.gov (United States)

    Stamps, Arthur E

    2008-08-01

    This article presents four new studies on the efficacy of predictions based on prospect and refuge theory and summarizes the results over eight studies. New data covered 49 participants and 36 environments. The eight studies included in the summary covered 144 participants and 80 widely diverse environments (Japanese Tatami rooms, Western rooms, porch, meadow, neighborhood commercial, shopping mall, vacation landscapes). Data were available for hypotheses about five factors: prospect, refuge, light, venue, and spatial transition. Efficacy was represented by correlations for the levels of the factors with responses of preference or comfort. Overall, venue was the most efficacious factor (r = .42, 95% CI = .14, .64). Efficacies for the other factors were very near zero. It is suggested that a considerable amount of additional formal inquiry be conducted before assuming the utility of prospect and refuge theory.

  17. Continuous and distributed systems II theory and applications

    CERN Document Server

    Zgurovsky, Mikhail

    2015-01-01

    As in the previous volume on the topic, the authors close the gap between abstract mathematical approaches, such as applied methods of modern algebra and analysis, fundamental and computational mechanics, nonautonomous and stochastic dynamical systems, on the one hand, and practical applications in nonlinear mechanics, optimization, decision making theory and control theory on the other. Readers will also benefit from the presentation of modern mathematical modeling methods for the numerical solution of complicated engineering problems in biochemistry, geophysics, biology and climatology. This compilation will be of interest to mathematicians and engineers working at the interface of these fields. It presents selected works of the joint seminar series of Lomonosov Moscow State University and the Institute for Applied System Analysis at National Technical University of Ukraine “Kyiv Polytechnic Institute”. The authors come from Brazil, Germany, France, Mexico, Spain, Poland, Russia, Ukraine, and the USA. ...

  18. Investigation of the explosion hazards of hydrogen sulphide. (Phase II)

    International Nuclear Information System (INIS)

    Moen, I.O.

    1986-01-01

    The results of Phase II of an investigation directed towards quantifying the explosive hazards of hydrogen sulphide in air are described. This second and final phase is focussed on flame acceleration until detonation in obstacle environments simulating a heavy water plant. The results of previous experimental tests, both small and large scale, are compiled and summarized and the results of a series of flame acceleration tests are reported. These tests were performed in order to assess the potential for damaging explosions in simulated industrial environments with repeated obstacles. The experimented apparatus consisted of a channel 1.8 m x 1.8 m in cross-section and 15.5 m long. Two obstacle configurations were tested, corresponding to 500 mm or 220 mm diameter tubes mounted across the channel at regular intervals. Tests were performed with acetylene, propane and hydrogen sulphide fuels. The results of numerical simulation are also reported and compared with the observed results. Scaling predictions are also made. The key results are summarized in the main text, and detailed reports covering the various aspects are included in three annexes

  19. Investigation of the explosion hazards of hydrogen sulphide. Phase II

    International Nuclear Information System (INIS)

    Moen, I.O.

    1986-01-01

    The results of Phase II of an investigation directed towards quantifying the explosive hazards of hydrogen sulphide in air are described. This second and final phase is focussed on flame acceleration until detonation in obstacle environments simulating a heavy water plant. The results of previous experimental tests, both small and large scale, are compiled and summarized and the results of a series of flame acceleration tests are reported. These tests were performed in order to assess the potential for damaging explosions in simulated industrial environments with repeated obstacles. The experimented apparatus consisted of a channel 1.8 m x 1.8 m in cross-section and 15.5 m long. Two obstacle configurations were tested, corresponding to 500 mm or 220 mm diameter tubes mounted across the channel at regular intervals. Tests were performed with acetylene, propane and hydrogen sulphide fuels. The results of numerical simulation are also reported and compared with the observed results. Scaling predictions are also made. The key results are summarized in the main text, and detailed reports covering the various aspects are included in three annexes

  20. Grassmann phase space methods for fermions. II. Field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dalton, B.J., E-mail: bdalton@swin.edu.au [Centre for Quantum and Optical Science, Swinburne University of Technology, Melbourne, Victoria 3122 (Australia); Jeffers, J. [Department of Physics, University of Strathclyde, Glasgow G4ONG (United Kingdom); Barnett, S.M. [School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom)

    2017-02-15

    In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggests the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. This paper presents a phase space theory for fermion systems based on distribution functionals, which replace the density operator and involve Grassmann fields representing anti-commuting fermion field annihilation, creation operators. It is an extension of a previous phase space theory paper for fermions (Paper I) based on separate modes, in which the density operator is replaced by a distribution function depending on Grassmann phase space variables which represent the mode annihilation and creation operators. This further development of the theory is important for the situation when large numbers of fermions are involved, resulting in too many modes to treat separately. Here Grassmann fields, distribution functionals, functional Fokker–Planck equations and Ito stochastic field equations are involved. Typical applications to a trapped Fermi gas of interacting spin 1/2 fermionic atoms and to multi-component Fermi gases with non-zero range interactions are presented, showing that the Ito stochastic field equations are local in these cases. For the spin 1/2 case we also show how simple solutions can be obtained both for the untrapped case and for an optical lattice trapping potential.

  1. Grassmann phase space methods for fermions. II. Field theory

    International Nuclear Information System (INIS)

    Dalton, B.J.; Jeffers, J.; Barnett, S.M.

    2017-01-01

    In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggests the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. This paper presents a phase space theory for fermion systems based on distribution functionals, which replace the density operator and involve Grassmann fields representing anti-commuting fermion field annihilation, creation operators. It is an extension of a previous phase space theory paper for fermions (Paper I) based on separate modes, in which the density operator is replaced by a distribution function depending on Grassmann phase space variables which represent the mode annihilation and creation operators. This further development of the theory is important for the situation when large numbers of fermions are involved, resulting in too many modes to treat separately. Here Grassmann fields, distribution functionals, functional Fokker–Planck equations and Ito stochastic field equations are involved. Typical applications to a trapped Fermi gas of interacting spin 1/2 fermionic atoms and to multi-component Fermi gases with non-zero range interactions are presented, showing that the Ito stochastic field equations are local in these cases. For the spin 1/2 case we also show how simple solutions can be obtained both for the untrapped case and for an optical lattice trapping potential.

  2. SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

    1998-09-01

    This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.

  3. The effective field theory of nonsingular cosmology: II

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Yong; Li, Hai-Guang [University of Chinese Academy of Sciences, School of Physics, Beijing (China); Qiu, Taotao [Central China Normal University, Institute of Astrophysics, Wuhan (China); Piao, Yun-Song [University of Chinese Academy of Sciences, School of Physics, Beijing (China); Chinese Academy of Sciences, Institute of Theoretical Physics, P.O. Box 2735, Beijing (China)

    2017-06-15

    Based on the effective field theory (EFT) of cosmological perturbations, we explicitly clarify the pathology in nonsingular cubic Galileon models and show how to cure it in EFT with new insights into this issue. With the least set of EFT operators that are capable to avoid instabilities in nonsingular cosmologies, we construct a nonsingular model dubbed the Genesis-inflation model, in which a slowly expanding phase (namely, Genesis) with increasing energy density is followed by slow-roll inflation. The spectrum of the primordial perturbation may be simulated numerically, which shows itself a large-scale cutoff, as the large-scale anomalies in CMB might be a hint for. (orig.)

  4. Inhomogeneous electrochemiluminescence. II Markovian encounter theory of the phenomenon

    International Nuclear Information System (INIS)

    Gladkikh, V.; Burshtein, A.I.

    2005-01-01

    The free energy dependence of the electro-chemiluminescence quantum yield is specified, with the Markovian encounter theory accounting for the reversibility of triplet production competing with the irreversible recombination to the ground state. It is shown that diffusional ion recombination is highly inhomogeneous in space. It proceeds at either large positive ionization free energy (mainly to the triplet product) or at large negative free energy when recombination to the ground state dominates. On the contrary at medium free energies, the quasi-resonant generation of triplets is under kinetic control and therefore much more homogeneous. In this case, both recombination products are generated in comparable amounts. The multiple reversible ionization is shown to act as an independent quenching mechanism previously unknown. The role of the triplet quenching at the electrode is also specified. These effects reduce noticeably the luminescence quantum yield but only at larger triplet life times and in different free energy regions

  5. Theory of Moxon-Rae type detectors. II

    International Nuclear Information System (INIS)

    Malik, S.S.; Majkrzak, C.F.

    1975-01-01

    Theoretical development of the Moxon-Rae detector's detection mechanism has been extended to include photoelectric effect and pair production for (γ,e) processes in addition to the previously considered Compton scattering. Further the converters now include Al and Pb along with C that was treated in the earlier theory. Quantitative calculations of the electron production probability, fsup((1)) (E,t) and the electron transmission probability, fsup((2)) (E,t) have been made for C, Al and Pb converters for photon energy Esub(γ) up to 10 MeV. A comparison of the fsup((1)) (E,t) fsup((2)) (E,t) values with the recently published Monte Carlo calculations of the response of Moxon-Rae detectors indicates that the two sets of values agree rather well. Various parameters useful for similar calculations, employing other converters, are also included. (Auth.)

  6. Geometry of Kaluza-Klein theory. II. Field equations

    International Nuclear Information System (INIS)

    Maia, M.D.

    1985-01-01

    In the preceding paper a geometric formulation of Kaluza-Klein theory was presented with the basic assumption that the space-time is locally and isometrically embedded in the high-dimensional space which emerged at the big bang. In the present note the Gauss-Codazzi-Ricci equations which are the integrability equations for the embedding are interpreted as the dynamical equations for a low-energy observer. The second quadratic form which results from the embedding is interpreted as a fundamental spin-two massless field. The dynamics for an observer with high-energy probes is described as usual by the Einstein-Hilbert action defined in the high-dimensional space and dimensionally reduced by integration over the internal space. The behavior of fermion masses under different gravitational field strengths is implemented by use of the mass operator defined with the second-order Casimir operator of the embedding symmetry group

  7. Novel theory of the HD dipole moment. II. Computations

    International Nuclear Information System (INIS)

    Thorson, W.R.; Choi, J.H.; Knudson, S.K.

    1985-01-01

    In the preceding paper we derived a new theory of the dipole moments of homopolar but isotopically asymmetric molecules (such as HD, HT, and DT) in which the electrical asymmetry appears directly in the electronic Hamiltonian (in an appropriate Born-Oppenheimer separation) and the dipole moment may be computed as a purely electronic property. In the present paper we describe variation-perturbation calculations and convergence studies on the dipole moment for HD, which is found to have the value 8.51 x 10 -4 debye at 1.40 a.u. Using the two alternative formulations of the electronic problem, we can provide a test of basis-set adequacy and convergence of the results, and such convergence studies are reported here. We have also computed vibration-rotation transition matrix elements and these are compared with experimental and other theoretical results

  8. On unified field theories, dynamical torsion and geometrical models: II

    International Nuclear Information System (INIS)

    Cirilo-Lombardo, D.J.

    2011-01-01

    We analyze in this letter the same space-time structure as that presented in our previous reference (Part. Nucl, Lett. 2010. V.7, No.5. P.299-307), but relaxing now the condition a priori of the existence of a potential for the torsion. We show through exact cosmological solutions from this model, where the geometry is Euclidean RxO 3 ∼ RxSU(2), the relation between the space-time geometry and the structure of the gauge group. Precisely this relation is directly connected with the relation of the spin and torsion fields. The solution of this model is explicitly compared with our previous ones and we find that: i) the torsion is not identified directly with the Yang-Mills type strength field, ii) there exists a compatibility condition connected with the identification of the gauge group with the geometric structure of the space-time: this fact leads to the identification between derivatives of the scale factor a with the components of the torsion in order to allow the Hosoya-Ogura ansatz (namely, the alignment of the isospin with the frame geometry of the space-time), and iii) of two possible structures of the torsion the 'tratorial' form (the only one studied here) forbid wormhole configurations, leading only to cosmological instanton space-time in eternal expansion

  9. Quantum field theory II introductions to quantum gravity, supersymmetry and string theory

    CERN Document Server

    Manoukian, Edouard B

    2016-01-01

    This book takes a pedagogical approach to explaining quantum gravity, supersymmetry and string theory in a coherent way. It is aimed at graduate students and researchers in quantum field theory and high-energy physics. The first part of the book introduces quantum gravity, without requiring previous knowledge of general relativity (GR). The necessary geometrical aspects are derived afresh leading to explicit general Lagrangians for gravity, including that of general relativity. The quantum aspect of gravitation, as described by the graviton, is introduced and perturbative quantum GR is discussed. The Schwinger-DeWitt formalism is developed to compute the one-loop contribution to the theory and renormalizability aspects of the perturbative theory are also discussed. This follows by introducing only the very basics of a non-perturbative, background-independent, formulation of quantum gravity, referred to as “loop quantum gravity”, which gives rise to a quantization of space. In the second part the author in...

  10. Kinetic and spectroscopic investigation of CoII, NiII, and N-oxalylglycine inhibition of the FeII/α-ketoglutarate dioxygenase, TauD

    International Nuclear Information System (INIS)

    Kalliri, Efthalia; Grzyska, Piotr K.; Hausinger, Robert P.

    2005-01-01

    Co II , Ni II , and N-oxalylglycine (NOG) are well-known inhibitors of Fe II /α-ketoglutarate (αKG)-dependent hydroxylases, but few studies describe their kinetics and no spectroscopic investigations have been reported. Using taurine/αKG dioxygenase (TauD) as a paradigm for this enzyme family, time-dependent inhibition assays showed that Co II and Ni II follow slow-binding inhibition kinetics. Whereas Ni II -substituted TauD was non-chromophoric, spectroscopic studies of the Co II -substituted enzyme revealed a six-coordinate site (protein alone or with αKG) that became five-coordinate upon taurine addition. The Co II spectrum was not perturbed by a series of anions or oxidants, suggesting the Co II is inaccessible and could be used to stabilize the protein. NOG competed weakly (K i ∼ 290 μM) with αKG for binding to TauD, with the increased electron density of NOG yielding electronic transitions for NOG-Fe II -TauD and taurine-NOG-Fe II -TauD at 380 nm (ε 38 90-105 M -1 cm -1 ). The spectra of the NOG-bound TauD species did not change significantly upon oxygen exposure, arguing against the formation of an oxygen-bound state mimicking an early intermediate in catalysis

  11. Introduction to Stopping Time in Stochastic Finance Theory. Part II

    Directory of Open Access Journals (Sweden)

    Jaeger Peter

    2017-12-01

    Full Text Available We start proceeding with the stopping time theory in discrete time with the help of the Mizar system [1], [4]. We prove, that the expression for two stopping times k1 and k2 not always implies a stopping time (k1 + k2 (see Theorem 6 in this paper. If you want to get a stopping time, you have to cut the function e.g. (k1 + k2 ⋂ T (see [2, p. 283 Remark 6.14]. Next we introduce the stopping time in continuous time. We are focused on the intervals [0, r] where r ∈ ℝ. We prove, that for I = [0, r] or I = [0,+∞[ the set {A ⋂ I : A ∈ Borel-Sets} is a σ-algebra of I (see Definition 6 in this paper, and more general given in [3, p.12 1.8e]. The interval I can be considered as a timeline from now to some point in the future. This set is necessary to define our next lemma. We prove the existence of the σ-algebra of the τ -past, where τ is a stopping time (see Definition 11 in this paper and [6, p.187, Definition 9.19]. If τ1 and τ2 are stopping times with τ1 is smaller or equal than τ2 we can prove, that the σ-algebra of the τ1-past is a subset of the σ-algebra of the τ2-past (see Theorem 9 in this paper and [6, p.187 Lemma 9.21]. Suppose, that you want to use Lemma 9.21 with some events, that never occur, see as a comparison the paper [5] and the example for ST(1={+∞} in the Summary. We don’t have the element +1 in our above-mentioned time intervals [0, r[ and [0,+1[. This is only possible if we construct a new σ-algebra on ℝ {−∞,+∞}. This construction is similar to the Borel-Sets and we call this σ-algebra extended Borel sets (see Definition 13 in this paper and [3, p. 21]. It can be proved, that {+∞} is an Element of extended Borel sets (see Theorem 21 in this paper. Now we use the interval [0,+∞] as a basis. We construct a σ-algebra on [0,+∞] similar to the book ([3, p. 12 18e], see Definition 18 in this paper, and call it extended Borel subsets. We prove for stopping times with this given σ-algebra, that

  12. A simple theory of motor protein kinetics and energetics. II.

    Science.gov (United States)

    Qian, H

    2000-01-10

    A three-state stochastic model of motor protein [Qian, Biophys. Chem. 67 (1997) pp. 263-267] is further developed to illustrate the relationship between the external load on an individual motor protein in aqueous solution with various ATP concentrations and its steady-state velocity. A wide variety of dynamic motor behavior are obtained from this simple model. For the particular case of free-load translocation being the most unfavorable step within the hydrolysis cycle, the load-velocity curve is quasi-linear, V/Vmax = (cF/Fmax-c)/(1-c), in contrast to the hyperbolic relationship proposed by A.V. Hill for macroscopic muscle. Significant deviation from the linearity is expected when the velocity is less than 10% of its maximal (free-load) value--a situation under which the processivity of motor diminishes and experimental observations are less certain. We then investigate the dependence of load-velocity curve on ATP (ADP) concentration. It is shown that the free load Vmax exhibits a Michaelis-Menten like behavior, and the isometric Fmax increases linearly with ln([ATP]/[ADP]). However, the quasi-linear region is independent of the ATP concentration, yielding an apparently ATP-independent maximal force below the true isometric force. Finally, the heat production as a function of ATP concentration and external load are calculated. In simple terms and solved with elementary algebra, the present model provides an integrated picture of biochemical kinetics and mechanical energetics of motor proteins.

  13. Quantitative investigation of linear arbitrary polarization in an APPLE-II undulator.

    Science.gov (United States)

    Hand, Matthew; Wang, Hongchang; Maccherozzi, Francesco; Apollonio, Marco; Zhu, Jingtao; Dhesi, Sarnjeet S; Sawhney, Kawal

    2018-03-01

    Insertion devices are utilized at synchrotron radiation facilities around the world for their capability to provide a high-brilliance X-ray beam. APPLE-II type undulators are especially important for their capacity to switch between a variety of photon beam polarization states. A high-precision soft X-ray polarimeter has been used to investigate the polarization calibration of an APPLE-II undulator (period length λ u = 64 mm) installed on beamline I06 at Diamond Light Source. Systematic measurement of the beam polarization state at a range of linear arbitrary angles has been compared with the expected result for a given set of undulator gap and row phase parameters calculated from theory. Determination of the corresponding Stokes-Poincaré parameters from the measured data reveals a discrepancy between the two. The limited number of energy/polarization combinations included in the undulator calibration tables necessitates the use of interpolated values for the missing points which is expected to contribute to the discrepancy. However, by modifying the orbit of the electron beam through the undulator by at least 160 µm it has been found that for certain linear polarizations the discrepancies can be corrected. Overall, it is suggested that complete correction of the Stokes-Poincaré parameters for all linear angles would require alteration of both these aspects.

  14. Spontaneous symmetry breaking of (1+1)-dimensional φ4 theory in light-front field theory. II

    International Nuclear Information System (INIS)

    Pinsky, S.S.; van de Sande, B.

    1994-01-01

    We discuss spontaneous symmetry breaking of (1+1)-dimensional φ 4 theory in light-front field theory using a Tamm-Dancoff truncation. We show that, even though light-front field theory has a simple vacuum state which is an eigenstate of the full Hamiltonian, the field can develop a nonzero vacuum expectation value. This occurs because the zero mode of the field must satisfy an operator-valued constraint equation. In the context of (1+1)-dimensional φ 4 theory we present solutions to the constraint equation using a Tamm-Dancoff truncation to a finite number of particles and modes. We study the behavior of the zero mode as a function of coupling and Fock space truncation. The zero mode introduces new interactions into the Hamiltonian which breaks the Z 2 symmetry of the theory when the coupling is stronger than the critical coupling. We investigate the energy spectrum in the symmetric and broken phases, show that the theory does not break down in the vicinity of the critical coupling, and discuss the connection to perturbation theory. Finally, we study the spectrum of the field φ and show that, in the broken phase, the field is localized away from φ=0 as one would expect from equal-time calculations. We explicitly show that tunneling occurs

  15. T-dualization of type II superstring theory in double space

    Energy Technology Data Exchange (ETDEWEB)

    Nikolic, B.; Sazdovic, B. [University of Belgrade, Institute of Physics Belgrade, Belgrade (Serbia)

    2017-03-15

    In this article we offer a new interpretation of the T-dualization procedure of type II superstring theory in the double space framework. We use the ghost free action of type II superstring in pure spinor formulation in approximation of constant background fields up to the quadratic terms. T-dualization along any subset of the initial coordinates, x{sup a}, is equivalent to the permutation of this subset with subset of the corresponding T-dual coordinates, y{sub a}, in double space coordinate Z{sup M} = (x{sup μ}, y{sub μ}). Requiring that the T-dual transformation law after the exchange x{sup a} <-> y{sub a} has the same form as the initial one, we obtain the T-dual NS-NS and NS-R background fields. The T-dual R-R field strength is determined up to one arbitrary constant under some assumptions. The compatibility between supersymmetry and T-duality produces a change of bar spinors and R-R field strength. If we dualize an odd number of dimensions x{sup a}, such a change flips type IIA/B to type II B/A. If we T-dualize the time-like direction, one imaginary unit i maps type II superstring theories to type II{sup *} ones. (orig.)

  16. Prognostic interaction patterns in diabetes mellitus II: A random-matrix-theory relation

    Science.gov (United States)

    Rai, Aparna; Pawar, Amit Kumar; Jalan, Sarika

    2015-08-01

    We analyze protein-protein interactions in diabetes mellitus II and its normal counterpart under the combined framework of random matrix theory and network biology. This disease is the fifth-leading cause of death in high-income countries and an epidemic in developing countries, affecting around 8 % of the total adult population in the world. Treatment at the advanced stage is difficult and challenging, making early detection a high priority in the cure of the disease. Our investigation reveals specific structural patterns important for the occurrence of the disease. In addition to the structural parameters, the spectral properties reveal the top contributing nodes from localized eigenvectors, which turn out to be significant for the occurrence of the disease. Our analysis is time-efficient and cost-effective, bringing a new horizon in the field of medicine by highlighting major pathways involved in the disease. The analysis provides a direction for the development of novel drugs and therapies in curing the disease by targeting specific interaction patterns instead of a single protein.

  17. Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

    Directory of Open Access Journals (Sweden)

    Metin Bilge

    2010-11-01

    Full Text Available The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II ion ([Pd(Br4]2- have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data. Key words: [Pd(Br4]2-, DFT, vibrational assignment, normal mode frequency, Lanl2dz Tetrabromopaladyum (II İyonunun Titreşim Frekanslarının Teorik Olarak İncelenmesi Tetrabromopaladyum (II iyonunun ([Pd(Br4]2- normal mod frekansları ve bunlara karşılık gelen titreşim işaretlemeleri standart kuantum kimyasal teknik yardımıyla teorik olarak incelenmektedir. Tüm normal modlar [Pd(Br4]2- iyonunun D4h nokta grubu kullanılarak başarılı bir şekilde işaretlenmiştir. Hesaplama Lanl2dz baz seti kullanılarak B3LYP (Becke-3-Lee-Yang-Parr yoğunluk fonksiyonel metoduyla gerçekleştirilmiş ve infrared intensiteleri ile Raman aktiviteleri de hesaplanmıştır. Teorik sonuçlar mevcut deneysel değerler ile başarılı bir şekilde karşılaştırılmaktadır. Anahtar kelimeler: [Pd(Br4]2-, DFT, titreşim işaretlemesi, normal mod frekansı, Lanl2dz

  18. Investigation of detergent effects on the solution structure of spinach Light Harvesting Complex II

    Energy Technology Data Exchange (ETDEWEB)

    Cardoso, Mateus B; Smolensky, Dmitriy; Heller, William T; O' Neill, Hugh, E-mail: hellerwt@ornl.gov, E-mail: oneillhm@ornl.gov [Center for Structural Molecular Biology, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2010-11-01

    The properties of spinach light harvesting complex II (LHC II), stabilized in the detergents Triton X-100 (TX100) and n-Octyl-{beta}-D-Glucoside (BOG), were investigated by small-angle neutron scattering (SANS). The LHC II-BOG scattering curve overlaid well with the theoretical scattering curve generated from the crystal structure of LHC II indicating that the protein preparation was in its native functional state. On the other hand, the simulated LHC II curve deviated significantly from the LHC II-TX100 experimental data. Analysis by circular dichroism spectroscopy supported the SANS analysis and showed that LHC II-TX100 is inactivated. This investigation has implications for extracting and stabilizing photosynthetic membrane proteins for the development of biohybrid photoconversion devices.

  19. Parametric investigation of fracture of EBR-II ducts

    International Nuclear Information System (INIS)

    Chopra, P.S.; Moustakakis, B.

    1977-01-01

    Results of preliminary static and dynamic finite element fracture mechanics analyses that were conducted to analytically simulate the dynamic fracture behavior of EBR-II ducts are presented. The loads considered are those that may arise because of rapid release of fission gases from a failed fuel element inside a duct, obtained from some previous tests and a recent analytical model. In spite of the motivation for the present work, the analytical procedures described may have a wider general application in the fail-safe design of structures

  20. INVESTIGATION OF THE MISCONCEPTION IN NEWTON II LAW

    Directory of Open Access Journals (Sweden)

    Yudi Kurniawan

    2018-04-01

    Full Text Available This study aims to provide a comprehensive description of the level of the number of students who have misconceptions about Newton's II Law. This research is located at one State Junior High School in Kab. Pandeglang. The purposive sampling was considering used in this study because it is important to distinguish students who do not know the concept of students who experience misconception. Data were collected using a three tier-test diagnostic test and analyzed descriptively quantitatively. The results showed that the level of misconception was in the two categories of high and medium levels. It needs an innovative teaching technique for subsequent research to treat Newton's Newton misconception.

  1. Towards a comprehensive theory for He II: I. A zero-temperature hybrid approach

    International Nuclear Information System (INIS)

    Ghassib, H.B.; Khudeir, A.M.

    1982-09-01

    A simple hybrid approach based on a gauge theory as well as a Hartree formalism, is presented for He II at zero temperature. Although this is intended to be merely a first step in an all-embracing theory, it already resolves quite neatly several old inconsistencies and corrects a few errors. As an illustration of its feasibility, a crude but instructive calculation is performed for the static structure factor of the system at low momentum transfers. A number of planned extensions and generalizations are outlined. (author)

  2. How Dentists Read a Technique Article: A Grounded Theory Investigation.

    Science.gov (United States)

    Chambers, David W; Lyon, Lucinda J

    2017-12-01

    To conduct an empirical investigation using qualitative techniques of the way dentists engage in the process of reading a technique-oriented journal article and what they pay attention to in the process. Grounded theory was used to identify how dentists read an article describing the fabrication of an interim prosthesis in the esthetic zone. Twenty-one experienced practitioners were videotaped, and their verbatim reflections were coded. The sequence of attending to various features of the paper was noted. Ninety-five percent of readers voiced specific, multiple attempts to identify or refine the main purpose of the article as they processed the material. All readers engaged in various activities to navigate through the article, including skipping and backtracking, and none "read" the article straight through. All readers also made repeated observations about the relevance of the technique to their personal practice situation. Eighty percent used some form of "distancing," whereby the content and value of the article were accepted, but the reader reserved the privilege of not being bound by the results because of technical, sponsorship, or methodological issues that "might be present." The quality of photographs was accepted as a proxy for the quality of technical work performed. Dentists actively customized the reading of a journal article that described a technical procedure. They imposed a non-linear structure for absorbing information and a standard of personal relevance, and, while accepting the results, created reasons for not necessarily having to accept them as applicable. The approach clinicians use in reading a procedural article may be different from the structure writers use in preparing a paper. © 2016 by the American College of Prosthodontists.

  3. Nickel hydroxide electrode. 3: Thermogravimetric investigations of nickel (II) hydroxides

    Science.gov (United States)

    Dennstedt, W.; Loeser, W.

    1982-01-01

    Water contained in Ni hydroxide influences its electrochemical reactivity. The water content of alpha and beta Ni hydroxides is different with respect to the amount and bond strength. Thermogravimetric experiments show that the water of the beta Ni hydroxides exceeding the stoichiometric composition is completely removed at 160 deg. The water contained in the interlayers of the beta hydroxide, however, is removed only at higher temperatures, together with the water originating from the decomposition of the hydroxide. These differences are attributed to the formation of II bonds within the interlayers and between interlayers and adjacent main layers. An attempt is made to explain the relations between water content and the oxidizability of the Ni hydroxides.

  4. Research program in elementary particle theory: Outstanding Junior Investigator Program

    International Nuclear Information System (INIS)

    Bowick, M.J.

    1990-01-01

    This report discusses the following topics: aspects of string theory; nonlinear sigma models and high-T c superconductivity; axionic black holes; topological mass generation; and quantum gravity in 2 + 1 dimensions

  5. Research program in elementary particle theory: Outstanding junior investigator program

    International Nuclear Information System (INIS)

    Bowick, M.J.

    1989-01-01

    This report briefly discusses the following topics: high-temperature strings; axionic black holes and wormholes; equations of motion for massless modes as vanishing curvature; vertex algebras and string theory; and massive axions

  6. JIT supply chain; an investigation through general system theory

    Directory of Open Access Journals (Sweden)

    O P Mishra

    2013-03-01

    Full Text Available This paper explains theoretical approach of the four theories of General system Theory (GST developed by Yourdon (1989 [Yourdon, E. (1989. Modern Structured Analysis. Yourdon Press, Prentice-Hall International, Englewood Cliffs, New Jersey. Senge] while applying it in information technology and subsequently used by caddy (2007 [Caddy I.N., & Helou, M.M. (2007. Supply chains and their management: Application of general systems theory. Journal of Retailing and Consumer Services, 14, 319–327.] in field of supply chain and management. JIT philosophy in core activities of supply chain i.e. procurement, production processes, and logistics are discussed through general system theory. The growing structure of the supply chain poses the implication restrictions and requires a heavy support system, many times a compromise is done while implementing JIT. The study would be useful to understand the general trends generated naturally regarding the adoption of the JIT philosophy in the supply chain.

  7. Synthesis and Spectral Investigations of Manganese(II, Cobalt(II, Nickel(II, Copper(II and Zinc(II Complexes of New Polydentate Ligands Containing a 1,8-Naphthyridine Moiety

    Directory of Open Access Journals (Sweden)

    Sunkari Jyothi

    2006-12-01

    Full Text Available 2-(o-Hydroxyphenyl-1,8-naphthyridine (HN, 2-(4-hydroxy-6-methylpyran-2-one-3-yl-1,8-naphthyridine (HMPN and 2-(benzimidazol-2-yl-1,8-naphthyridine(BN react with acetates of Mn(II, Co(II, Ni(II, Cu(II and Zn(II to yield metal ioncomplexes of definite composition. These compounds were characterized by elementalanalyses, molar conductivity, magnetic susceptibility measurements, thermal studies, IR,UV-visible, NMR and mass spectral investigations. The complexes are found to have theformulae [M(HN2(H2O2], [M(HMPN2(H2O2] and [M(BN2(OAc2], respectively.

  8. American Material Culture: Investigating a World War II Trash Dump

    Energy Technology Data Exchange (ETDEWEB)

    Julie Braun

    2005-10-01

    The Idaho National Laboratory: An Historical Trash Trove Historians and archaeologists love trash, the older the better. Sometimes these researchers find their passion in unexpected places. In this presentation, the treasures found in a large historic dump that lies relatively untouched in the middle of the Idaho National Laboratory (INL) will be described. The U.S. military used the central portion of the INL as one of only six naval proving grounds during World War II. They dumped trash in dry irrigation canals during and after their wartime activities and shortly before the federal government designated this arid and desolate place as the nation’s nuclear reactor testing station in 1949. When read critically and combined with memories and photographs, the 60-year old trash provides a glimpse into 1940s’ culture and the everyday lives of ordinary people who lived and worked during this time on Idaho’s desert. Thanks to priceless stories, hours of research, and the ability to read the language of historic artifacts, the dump was turned from just another trash heap into a treasure trove of 1940s memorabilia. Such studies of American material culture serve to fire our imaginations, enrich our understanding of past practices, and humanize history. Historical archaeology provides opportunities to integrate inanimate objects with animated narrative and, the more recent the artifacts, the more human the stories they can tell.

  9. [Investigations in dynamics of gauge theories in theoretical particle physics

    International Nuclear Information System (INIS)

    1993-01-01

    The major theme of the theoretical physics research conducted under DOE support over the past several years has been within the rubric of the standard model, and concerned the interplay between symmetries and dynamics. The research was thus carried out mostly in the context of gauge field theories, and usually in the presence of chiral fermions. Dynamical symmetry breaking was examined both from the point of view of perturbation theory, as well as from non-perturbative techniques associated with certain characteristic features of specific theories. Among the topics of research were: the implications of abelian and non-abelian anomalies on the spectrum and possible dynamical symmetry breaking in any theory, topological and conformal properties of quantum fields in two and higher dimensions, the breaking of global chiral symmetries by vector-like gauge theories such as QCD, the phenomenological implications of a strongly interacting Higgs sector in the standard model, and the application of soliton ideas to the physics to be explored at the SSC

  10. Systemic Functional Theory: A Pickax of Textual Investigation

    Directory of Open Access Journals (Sweden)

    Taofeek Dalamu

    2017-03-01

    Full Text Available The study examines Systemic Functional Theory (SFT as a tool of examining text, and perhaps, text of any dimension as long as it falls within the grammatical organs of the clause. The author provides explanations for the theory from its relevant source(s. The chronological appreciation involves the efforts of Saussure, Firth, Malinowski, Hjelmslev, etc. However, Halliday’s insight seems prominent and upon which Systemic Functional Theory receives a global status that it has assumed today. Halliday constructs numerous concepts e.g. lexicogrammar, processes, cohesion, coherence, system, system network with background from traditional grammar and sociological tokens. In addition to that, the three metafunctions are characterized as its core operational concepts. Out of these, the mood system serves as the instrument of analysis of Psalm one utilized in this endeavor as a case study. Although the clauses fall within the profile of the indicative and imperative, the study reveals that some of the structures are inverted in order to propagate the intended messages. To that end, there are inverted indicative clauses expressed as inverted declarative statements, inverted imperative questions and inverted negativized polarity. In sum, Systemic Functional Theory is a facility for explaining different shapes of texts.

  11. Predicting critical temperatures of iron(II) spin crossover materials: Density functional theory plus U approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yachao, E-mail: yczhang@nano.gznc.edu.cn [Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Normal College, Guiyang 550018, Guizhou (China)

    2014-12-07

    A first-principles study of critical temperatures (T{sub c}) of spin crossover (SCO) materials requires accurate description of the strongly correlated 3d electrons as well as much computational effort. This task is still a challenge for the widely used local density or generalized gradient approximations (LDA/GGA) and hybrid functionals. One remedy, termed density functional theory plus U (DFT+U) approach, introduces a Hubbard U term to deal with the localized electrons at marginal computational cost, while treats the delocalized electrons with LDA/GGA. Here, we employ the DFT+U approach to investigate the T{sub c} of a pair of iron(II) SCO molecular crystals (α and β phase), where identical constituent molecules are packed in different ways. We first calculate the adiabatic high spin-low spin energy splitting ΔE{sub HL} and molecular vibrational frequencies in both spin states, then obtain the temperature dependent enthalpy and entropy changes (ΔH and ΔS), and finally extract T{sub c} by exploiting the ΔH/T − T and ΔS − T relationships. The results are in agreement with experiment. Analysis of geometries and electronic structures shows that the local ligand field in the α phase is slightly weakened by the H-bondings involving the ligand atoms and the specific crystal packing style. We find that this effect is largely responsible for the difference in T{sub c} of the two phases. This study shows the applicability of the DFT+U approach for predicting T{sub c} of SCO materials, and provides a clear insight into the subtle influence of the crystal packing effects on SCO behavior.

  12. Investigation of Employee Security Behaviour: A Grounded Theory Approach

    OpenAIRE

    Connolly , Lena; Lang , Michael; Tygar , J. ,

    2015-01-01

    Part 5: Security Management and Human Aspects of Security; International audience; At a time of rapid business globalisation, it is necessary to understand employee security behaviour within diverse cultural settings. While general deterrence theory has been extensively used in Behavioural Information Security research with the aim to explain the effect of deterrent factors on employees’ security actions, these studies provide inconsistent and even contradictory findings. Therefore, a further...

  13. Spurious solutions in few-body equations. II. Numerical investigations

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1979-01-01

    A recent analytic study of spurious solutions in few-body equations by Adhikari and Gloeckle is here complemented by numerical investigations. As proposed by Adhikari and Gloeckle we study numerically the spurious solutions in the three-body Weinberg type equations and draw some general conclusions about the existence of spurious solutions in three-body equations with the Weinberg kernel and in other few-body formulations. In particular we conclude that for most of the potentials we encounter in problems of nuclear physics the three-body Weinberg type equation will not have a spurious solution which may interfere with the bound state or scattering calculation. Hence, if proven convenient, the three-body Weinberg type equation can be used in practical calculations. The same conclusion is true for the three-body channel coupling array scheme of Kouri, Levin, and Tobocman. In the case of the set of six coupled four-body equations proposed by Rosenberg et al. and the set of the Bencze-Redish-Sloan equations a careful study of the possible spurious solutions is needed before using these equations in practical calculations

  14. When Child Development Meets Economic Game Theory: An Interdisciplinary Approach to Investigating Social Development

    Science.gov (United States)

    Gummerum, Michaela; Hanoch, Yaniv; Keller, Monika

    2008-01-01

    Game theory has been one of the most prominent theories in the social sciences, influencing diverse academic disciplines such as anthropology, biology, economics, and political science. In recent years, economists have employed game theory to investigate behaviors relating to fairness, reciprocity, and trust. Surprisingly, this research has not…

  15. Analysis of EBR-II neutron and photon physics by multidimensional transport-theory techniques

    International Nuclear Information System (INIS)

    Jacqmin, R.P.; Finck, P.J.; Palmiotti, G.

    1994-01-01

    This paper contains a review of the challenges specific to the EBR-II core physics, a description of the methods and techniques which have been developed for addressing these challenges, and the results of some validation studies relative to power-distribution calculations. Numerical tests have shown that the VARIANT nodal code yields eigenvalue and power predictions as accurate as finite difference and discrete ordinates transport codes, at a small fraction of the cost. Comparisons with continuous-energy Monte Carlo results have proven that the errors introduced by the use of the diffusion-theory approximation in the collapsing procedure to obtain broad-group cross sections, kerma factors, and photon-production matrices, have a small impact on the EBR-II neutron/photon power distribution

  16. Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory.

    Science.gov (United States)

    Delaney, Sean P; Witko, Ewelina M; Smith, Tiffany M; Korter, Timothy M

    2012-08-02

    Terahertz spectroscopy is sensitive to the interactions between molecules in the solid-state and recently has emerged as a new analytical tool for investigating polymorphism. Here, this technique is applied for the first time to the phenomenon of tautomeric polymorphism where the crystal structures of anthranilic acid (2-aminobenzoic acid) have been investigated. Three polymorphs of anthranilic acid (denoted Forms I, II and III) were studied using terahertz spectroscopy and the vibrational modes and relative polymorph stabilities analyzed using solid-state density functional theory calculations augmented with London dispersion force corrections. Form I consists of both neutral and zwitterionic molecules and was found to be the most stable polymorph as compared to Forms II and III (both containing only neutral molecules). The simulations suggest that a balance between steric interactions and electrostatic forces is responsible for the favoring of the mixed neutral/zwitterion solid over the all neutral or all zwitterion crystalline arrangements.

  17. Single-Site Palladium(II) Catalyst for Oxidative Heck Reaction: Catalytic Performance and Kinetic Investigations

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Hui; Li, Mengyang; Zhang, Guanghui; Gallagher, James R.; Huang, Zhiliang; Sun, Yu; Luo, Zhong; Chen, Hongzhong; Miller, Jeffrey T.; Zou, Ruqiang; Lei, Aiwen; Zhao, Yanli

    2015-01-01

    ABSTRACT: The development of organometallic single-site catalysts (SSCs) has inspired the designs of new heterogeneous catalysts with high efficiency. Nevertheless, the application of SSCs in certain modern organic reactions, such as C-C bond formation reactions, has still been less investigated. In this study, a single-site Pd(II) catalyst was developed, where 2,2'-bipyridine-grafted periodic mesoporous organosilica (PMO) was employed as the support of a Pd(II) complex. The overall performance of the single-site Pd(II) catalyst in the oxidative Heck reaction was then investigated. The investigation results show that the catalyst displays over 99% selectivity for the product formation with high reaction yield. Kinetic profiles further confirm its high catalytic efficiency, showing that the rate constant is nearly 40 times higher than that for the free Pd(II) salt. X-ray absorption spectroscopy reveals that the catalyst has remarkable lifetime and recyclability.

  18. Constraining top quark effective theory in the LHC Run II era

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, Andy; Englert, Christoph; Ferrando, James; Miller, David J.; Moore, Liam; Russell, Michael; White, Chris D. [School of Physics and Astronomy, Scottish Universities Physics Alliance, University of Glasgow,Glasgow G12 8QQ, Scotland (United Kingdom); Collaboration: The TopFitter collaboration

    2016-04-04

    We perform an up-to-date global fit of top quark effective theory to experimental data from the Tevatron, and from LHC Runs I and II. Experimental data includes total cross-sections up to 13 TeV, as well as differential distributions, for both single top and pair production. We also include the top quark width, charge asymmetries, and polarisation information from top decay products. We present bounds on the coefficients of dimension six operators, and examine the interplay between inclusive and differential measurements, and Tevatron/LHC data. All results are currently in good agreement with the Standard Model.

  19. A temperature-dependent theory for HeII: Application to the liquid structure factor

    International Nuclear Information System (INIS)

    Chela-Flores, J.; Ghassib, H.B.

    1981-08-01

    A temperature-dependent theory is presented for HeII, which is based on both a gauge-theoretic formulation as well as a mean-field (Hartree) approach. A simple model calculation is then performed within this framework for the liquid structure factor of the system. In particular, explicit expressions are obtained for the low-momentum-transfer and low-temperature limits, which seem to conform with the available experimental data. Further, the curvature of the structure factor is predicted, under these circumstances, to be only mildly dependent on temperature. Throughout, we compare and contrast with other theoretical attempts, including Feynman's. (author)

  20. Towards a comprehensive theory for He II: A temperature-dependent field-theoretic approach

    International Nuclear Information System (INIS)

    Ghassib, H.B.; Chela-Flores, J.

    1983-07-01

    New experimental aspects of He II, as well as recent developments in particle physics, are invoked to construct the rudiments of a comprehensive theory in which temperature-dependent U(1) and SU(2) gauge fields are incorporated into a hierarchy of effective Lagrangians. It is conjectured that an SU(n) gauge-theoretic description of superfluidity may be obtained in the limit n→infinity. However, it is outlined how experiments can be understood in the zeroth, first and second order of the hierarchy. (author)

  1. Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes.

    Science.gov (United States)

    Phillips, Jordan J; Peralta, Juan E

    2014-08-07

    To benchmark the performance of a new method based on noncollinear coupled-perturbed density functional theory [J. Chem. Phys. 138, 174115 (2013)], we calculate the magnetic exchange couplings in a series of triply bridged ferromagnetic dinuclear Cu(II) complexes that have been recently synthesized [Phys. Chem. Chem. Phys. 15, 1966 (2013)]. We find that for any basis-set the couplings from our noncollinear coupled-perturbed methodology are practically identical to those of spin-projected energy-differences when a hybrid density functional approximation is employed. This demonstrates that our methodology properly recovers a Heisenberg description for these systems, and is robust in its predictive power of magnetic couplings. Furthermore, this indicates that the failure of density functional theory to capture the subtle variation of the exchange couplings in these complexes is not simply an artifact of broken-symmetry methods, but rather a fundamental weakness of current approximate density functionals for the description of magnetic couplings.

  2. Complexation of rhodium(II) tetracarboxylates with aliphatic diamines in solution: 1H and 13C NMR and DFT investigations.

    Science.gov (United States)

    Jaźwiński, Jarosław; Sadlej, Agnieszka

    2013-10-01

    The complexation of rhodium(II) tetraacetate, tetrakistrifluoroaceate and tetrakisoctanoate with a set of diamines (ethane-1,diamine, propane-1,3-diamine and nonane-1,9-diamine) and their N,N'-dimethyl and N,N,N',N'-tetramethyl derivatives in chloroform solution has been investigated by (1) H and (13) C NMR spectroscopy and density functional theory (DFT) modelling. A combination of two bifunctional reagents, diamines and rhodium(II) tetracarboxylates, yielded insoluble coordination polymers as main products of complexation and various adducts in the solution, being in equilibrium with insoluble material. All diamines initially formed the 2 : 1 (blue), (1 : 1)n oligomeric (red) and 1 : 2 (red) axial adducts in solution, depending on the reagents' molar ratio. Adducts of primary and secondary diamines decomposed in the presence of ligand excess, the former via unstable equatorial complexes. The complexation of secondary diamines slowed down the inversion at nitrogen atoms in NH(CH3 ) functional groups and resulted in the formation of nitrogenous stereogenic centres, detectable by NMR. Axial adducts of tertiary diamines appeared to be relatively stable. The presence of long aliphatic chains in molecules (adducts of nonane-1,9-diamines or rhodium(II) tetrakisoctanoate) increased adduct solubility. Hypothetical structures of the equatorial adduct of rhodium(II) tetraacetate with ethane-1,2-diamine and their NMR parameters were explored by means of DFT calculations. Copyright © 2013 John Wiley & Sons, Ltd.

  3. Continuum theory of the mixed-state and surface Joule effects in type-II superconductors

    International Nuclear Information System (INIS)

    Hocquet, T.; Mathieu, P.; Simon, Y.

    1992-01-01

    A phenomenological theory of vortex motion, where the mixed state is regarded as a continuum, has been proposed by two of the authors in a short previous letter. Its outlines are recalled in this paper with further comments and arguments; in particular the basic equations and their implications are discussed at some length. This theory leads to a model of pinning, from which we argue that critical currents I c , in soft type-II samples of standard bulk homogeneity, should be governed essentially by surface defects. I c is interpreted as a physically well-defined part of the total transport current I, which is flowing over a small depth close to the surface. Thus, on the scale of an ordinary sample, this part of the transport current is superficial, the remaining part I-I c being uniformly distributed over the cross section. Coherently, an analysis of the dissipation in such samples predicts that the part VI c of the total Joule effect VI must arise as surface heat sources, while the Joule effect V(I-I c ), usually associated with the steady viscous flow of vortices, is uniformly distributed in the bulk. As a proof, we present a method, using second-sound acoustics, to detect and separate surface and volume heat sources. Experimental results give clear evidence of a surface Joule effect, and support the validity of our model of surface pinning in soft materials

  4. Higher derivatives in Type II and M-theory on Calabi-Yau threefolds

    Science.gov (United States)

    Grimm, Thomas W.; Mayer, Kilian; Weissenbacher, Matthias

    2018-02-01

    The four- and five-dimensional effective actions of Calabi-Yau threefold compactifications are derived with a focus on terms involving up to four space-time derivatives. The starting points for these reductions are the ten- and eleven-dimensional supergravity actions supplemented with the known eight-derivative corrections that have been inferred from Type II string amplitudes. The corrected background solutions are determined and the fluctuations of the Kähler structure of the compact space and the form-field back-ground are discussed. It is concluded that the two-derivative effective actions for these fluctuations only takes the expected supergravity form if certain additional ten- and eleven-dimensional higher-derivative terms for the form-fields are included. The main results on the four-derivative terms include a detailed treatment of higher-derivative gravity coupled to Kähler structure deformations. This is supplemented by a derivation of the vector sector in reductions to five dimensions. While the general result is only given as an expansion in the fluctuations, a complete treatment of the one-Kähler modulus case is presented for both Type II theories and M-theory.

  5. Investigation of the interaction of copper(II) oxide and electron beam irradiation crosslinkable polyethylene

    International Nuclear Information System (INIS)

    Bee, Soo-Tueen; Sin, Lee Tin; Ratnam, C.T.; Haraveen, K.J.S.; Tee, Tiam-Ting; Rahmat, A.R.

    2015-01-01

    In this study, the effects of electron beam irradiation on the properties of copper(II) oxide when added to low-density polyethylene (LDPE) blends were investigated. It was found that the addition of low loading level of copper(II) oxide (⩽2 phr) to LDPE results in significantly poorer gel content and hot set results. However, the incorporation of higher loading level of copper(II) oxide (⩾3 phr) could slightly increase the degree of crosslinking in all irradiated LDPE composites. This is due to the fact that higher amounts of copper(II) oxide could slightly induce the formation of free radicals in LDPE matrix. Besides, increasing irradiation doses was also found to gradually increase the gel content of LDPE composites by generating higher amounts of free radicals. As a consequence, these higher amounts of free radicals released in the LDPE matrix could significantly increase the degree of crosslinking. The addition of copper(II) oxide could reduce the tensile strength and fracture strain (elongation at break) of LDPE composites because of poorer interfacial adhesion effect between copper(II) oxide particles and LDPE matrix. Meanwhile, increasing irradiation doses on all copper(II) oxide added LDPE composites could marginally increase the tensile strength. In addition, increasing irradiation dose could enhance the thermal stability of LDPE composites by increasing the decomposition temperature. The oxidation induction time (OIT) analysis showed that, because of the crosslinking network in the copper(II) oxide added LDPE composites, oxidation reaction is much delayed.

  6. Investigation of the interaction of copper(II) oxide and electron beam irradiation crosslinkable polyethylene

    Energy Technology Data Exchange (ETDEWEB)

    Bee, Soo-Tueen, E-mail: direct.beest@gmail.com [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Sin, Lee Tin, E-mail: direct.tinsin@gmail.com [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Ratnam, C.T. [Radiation Processing Technology Division, Malaysian Nuclear Agency, Bangi, 43000 Kajang, Selangor (Malaysia); Haraveen, K.J.S.; Tee, Tiam-Ting [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Rahmat, A.R. [Department of Polymer Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor (Malaysia)

    2015-10-01

    In this study, the effects of electron beam irradiation on the properties of copper(II) oxide when added to low-density polyethylene (LDPE) blends were investigated. It was found that the addition of low loading level of copper(II) oxide (⩽2 phr) to LDPE results in significantly poorer gel content and hot set results. However, the incorporation of higher loading level of copper(II) oxide (⩾3 phr) could slightly increase the degree of crosslinking in all irradiated LDPE composites. This is due to the fact that higher amounts of copper(II) oxide could slightly induce the formation of free radicals in LDPE matrix. Besides, increasing irradiation doses was also found to gradually increase the gel content of LDPE composites by generating higher amounts of free radicals. As a consequence, these higher amounts of free radicals released in the LDPE matrix could significantly increase the degree of crosslinking. The addition of copper(II) oxide could reduce the tensile strength and fracture strain (elongation at break) of LDPE composites because of poorer interfacial adhesion effect between copper(II) oxide particles and LDPE matrix. Meanwhile, increasing irradiation doses on all copper(II) oxide added LDPE composites could marginally increase the tensile strength. In addition, increasing irradiation dose could enhance the thermal stability of LDPE composites by increasing the decomposition temperature. The oxidation induction time (OIT) analysis showed that, because of the crosslinking network in the copper(II) oxide added LDPE composites, oxidation reaction is much delayed.

  7. Investigation of solution chemistry effects on sorption behavior of radionuclide 64Cu(II) on illite

    International Nuclear Information System (INIS)

    Shitong Yang; Guodong Sheng; Zhiqiang Guo; Yubing Sun; Donglin Zhao

    2011-01-01

    In this work, a series of batch experiments were carried out to investigate the effect of various environmental factors such as contact time, pH, ionic strength, coexisting electrolyte ions, humic substances and temperature on the sorption behavior of illite towards 64 Cu(II). The results indicated that 64 Cu(II) sorption on illite achieved equilibrium quickly. The pH- and ionic strength-dependent sorption suggested that 64 Cu(II) sorption on illite was dominated by ion exchange or outer-sphere surface complexation at pH 7. A positive effect of humic substances on 64 Cu(II) sorption was found at pH 6.5. The Langmuir and Freundlich models were used to simulate the sorption isotherms of 64 Cu(II) at three different temperatures of 293, 313, and 333 K. The thermodynamic parameters (ΔH 0 , ΔS 0 , and ΔG 0 ) of 64 Cu(II) sorption on illite were calculated from the temperature dependent sorption isotherms, and the results indicated that the sorption of 64 Cu(II) on illite was endothermic and spontaneous. From the experimental results, it is possible to conclude that illite has good potentialities for cost-effective treatments of 64 Cu(II)-contaminated wastewaters. (author)

  8. Experimental investigations of the influence of material and thickness on fracture under pure mode II loading

    OpenAIRE

    Dong H.

    2010-01-01

    Experimental investigation to the effects of thickness and material on mode II fracture were performed. Tension-shear specimens made of aluminium alloy LC4CS and 7050-T7452 with thicknesses of 2, 4, 8 and 14 mm were used. All crack tip appearances and fracture profiles of the specimens were observed. Mode II fracture toughness were calculated. It is shown that material and thickness play an important role in mode II fracture. The fracture of LC4CS appears shear fracture under all kinds ...

  9. Investigating the Representation of Multiple Intelligences Theory in TPSOL Textbooks

    Science.gov (United States)

    Ebadi, Saman; Beigzadeh, Maryam

    2016-01-01

    As the main applicable language resources in classrooms, textbooks provide the primary source of information, and they serve the foundation of instruction and transfer the curriculum objectives. Therefore, teachers should be conscious in choosing the right textbooks and activities for their students. The purpose of this study is to investigate one…

  10. Demonstration of a viable quantitative theory for interplanetary type II radio bursts

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, J. M., E-mail: jschmidt@physics.usyd.edu.au; Cairns, Iver H. [School of Physics, Physics Road, Building A28, University of Sydney, NSW 2006 (Australia)

    2016-03-25

    Between 29 November and 1 December 2013 the two widely separated spacecraft STEREO A and B observed a long lasting, intermittent, type II radio burst for the extended frequency range ≈ 4 MHz to 30 kHz, including an intensification when the shock wave of the associated coronal mass ejection (CME) reached STEREO A. We demonstrate for the first time our ability to quantitatively and accurately simulate the fundamental (F) and harmonic (H) emission of type II bursts from the higher corona (near 11 solar radii) to 1 AU. Our modeling requires the combination of data-driven three-dimensional magnetohydrodynamic simulations for the CME and plasma background, carried out with the BATS-R-US code, with an analytic quantitative kinetic model for both F and H radio emission, including the electron reflection at the shock, growth of Langmuir waves and radio waves, and the radiations propagation to an arbitrary observer. The intensities and frequencies of the observed radio emissions vary hugely by factors ≈ 10{sup 6} and ≈ 10{sup 3}, respectively; the theoretical predictions are impressively accurate, being typically in error by less than a factor of 10 and 20 %, for both STEREO A and B. We also obtain accurate predictions for the timing and characteristics of the shock and local radio onsets at STEREO A, the lack of such onsets at STEREO B, and the z-component of the magnetic field at STEREO A ahead of the shock, and in the sheath. Very strong support is provided by these multiple agreements for the theory, the efficacy of the BATS-R-US code, and the vision of using type IIs and associated data-theory iterations to predict whether a CME will impact Earth’s magnetosphere and drive space weather events.

  11. Theoretical investigation of pressure-induced structural transitions in americium using GGA+U and hybrid density functional theory methods

    DEFF Research Database (Denmark)

    Verma, Ashok K.; Modak, P.; Sharma, Surinder M.

    2013-01-01

    First-principles calculations have been performed for americium (Am) metal using the generalized gradient approximation + orbital-dependent onsite Coulomb repulsion via Hubbard interaction (GGA+U) and hybrid density functional theory (HYB-DFT) methods to investigate various ground state properties......-I to Am-II transition. Good agreement was found between calculated and experimental equations of states for all phases, but the first three phases need larger U (α) parameters (where α represents the fraction of Hartree-Fock exchange energy replacing the DFT exchange energy) than the fourth phase in order...

  12. Investigating NARCCAP Precipitation Extremes via Bivariate Extreme Value Theory (Invited)

    Science.gov (United States)

    Weller, G. B.; Cooley, D. S.; Sain, S. R.; Bukovsky, M. S.; Mearns, L. O.

    2013-12-01

    We introduce methodology from statistical extreme value theory to examine the ability of reanalysis-drive regional climate models to simulate past daily precipitation extremes. Going beyond a comparison of summary statistics such as 20-year return values, we study whether the most extreme precipitation events produced by climate model simulations exhibit correspondence to the most extreme events seen in observational records. The extent of this correspondence is formulated via the statistical concept of tail dependence. We examine several case studies of extreme precipitation events simulated by the six models of the North American Regional Climate Change Assessment Program (NARCCAP) driven by NCEP reanalysis. It is found that the NARCCAP models generally reproduce daily winter precipitation extremes along the Pacific coast quite well; in contrast, simulation of past daily summer precipitation extremes in a central US region is poor. Some differences in the strength of extremal correspondence are seen in the central region between models which employ spectral nudging and those which do not. We demonstrate how these techniques may be used to draw a link between extreme precipitation events and large-scale atmospheric drivers, as well as to downscale extreme precipitation simulated by a future run of a regional climate model. Specifically, we examine potential future changes in the nature of extreme precipitation along the Pacific coast produced by the pineapple express (PE) phenomenon. A link between extreme precipitation events and a "PE Index" derived from North Pacific sea-surface pressure fields is found. This link is used to study PE-influenced extreme precipitation produced by a future-scenario climate model run.

  13. Plasma theory and simulation. Quarterly progress report I, II, January 1-June 30, 1984

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1984-01-01

    Our group uses theory and simulation as tools in order to increase the understanding of instabilities, heating, transport, and other phenomena in plasmas. We also work on the improvement of simulation both theoretically and practically. Research in plasma theory and simulation has centered on the following: (1) electron Bernstein wave investigations; (2) simulation of plasma-sheath region, including ion reflection; (3) single ended plasma device, general behavior dc or ac; (4) single ended plasma device, unstable states; (5) corrections to time-independent Q-machine equilibria; (6) multifluid derivation of the Alfven ion-cyclotron linear dispersion relation; and (7) potential barrier between hot and cool plasmas

  14. Stochastic theory of nonequilibrium steady states. Part II: Applications in chemical biophysics

    International Nuclear Information System (INIS)

    Ge Hao; Qian Min; Qian Hong

    2012-01-01

    The mathematical theory of nonequilibrium steady state (NESS) has a natural application in open biochemical systems which have sustained source(s) and sink(s) in terms of a difference in their chemical potentials. After a brief introduction in Section , in Part II of this review, we present the widely studied biochemical enzyme kinetics, the workhorse of biochemical dynamic modeling, in terms of the theory of NESS (Section ). We then show that several phenomena in enzyme kinetics, including a newly discovered activation–inhibition switching (Section ) and the well-known non-Michaelis–Menten-cooperativity (Section ) and kinetic proofreading (Section ), are all consequences of the NESS of driven biochemical systems with associated cycle fluxes. Section is focused on nonlinear and nonequilibrium systems of biochemical reactions. We use the phosphorylation–dephosphorylation cycle (PdPC), one of the most important biochemical signaling networks, as an example (Section ). It starts with a brief introduction of the Delbrück–Gillespie process approach to mesoscopic biochemical kinetics (Sections ). We shall discuss the zeroth-order ultrasensitivity of PdPC in terms of a new concept — the temporal cooperativity (Sections ), as well as PdPC with feedback which leads to biochemical nonlinear bistability (Section ). Also, both are nonequilibrium phenomena. PdPC with a nonlinear feedback is kinetically isomorphic to a self-regulating gene expression network, hence the theory of NESS discussed here could have wide applications to many other biochemical systems.

  15. Non-renormalisation conditions in type II string theory and maximal supergravity

    International Nuclear Information System (INIS)

    Green, Michael B.; Russo, Jorge G.; Vanhove, Pierre

    2007-01-01

    This paper considers general features of the derivative expansion of Feynman diagram contributions to the four-graviton scattering amplitude in eleven-dimensional supergravity compactified on a two-torus. These are translated into statements about interactions of the form D 2k R 4 in type II superstring theories, assuming the standard M-theory/string theory duality relationships, which provide powerful constraints on the effective interactions. In the ten-dimensional IIA limit we find that there can be no perturbative contributions beyond k string loops (for k>0). Furthermore, the genus h = k contributions are determined exactly by the one-loop eleven-dimensional supergravity amplitude for all values of k. A plausible interpretation of these observations is that the sum of h-loop Feynman diagrams of maximally extended supergravity is less divergent than might be expected and could be ultraviolet finite in dimensions d<4+6/h - the same bound as for N = 4 Yang-Mills

  16. Non-renormalisation conditions in type II string theory and maximal supergravity

    Science.gov (United States)

    Green, Michael B.; Russo, Jorge G.; Vanhove, Pierre

    2007-02-01

    This paper considers general features of the derivative expansion of Feynman diagram contributions to the four-graviton scattering amplitude in eleven-dimensional supergravity compactified on a two-torus. These are translated into statements about interactions of the form D2kR4 in type II superstring theories, assuming the standard M-theory/string theory duality relationships, which provide powerful constraints on the effective interactions. In the ten-dimensional IIA limit we find that there can be no perturbative contributions beyond k string loops (for k>0). Furthermore, the genus h = k contributions are determined exactly by the one-loop eleven-dimensional supergravity amplitude for all values of k. A plausible interpretation of these observations is that the sum of h-loop Feynman diagrams of maximally extended supergravity is less divergent than might be expected and could be ultraviolet finite in dimensions d<4+6/h - the same bound as for N = 4 Yang-Mills.

  17. Cephalometric effects of the use of 10-hour Force Theory for Class II treatment

    Directory of Open Access Journals (Sweden)

    Marise de Castro Cabrera

    2012-12-01

    Full Text Available OBJECTIVE: This study aimed to evaluate the cephalometric effects promoted by the orthodontic treatment of Class II malocclusion patients with the use of the 10-Hour Force Theory, that consists in the use of fixed appliances with 8 hours a day using a cervical headgear appliance and 16 hours a day using Class II elastics, 8 hours on the first mandibular molar and 8 hours in the second mandibular molar. METHODS: Sample comprised 31 patients with mean initial age of 14.90 years, final mean age of 17.25 years and mean treatment time of 2.35 years. The lateral cephalograms in pre-treatment and post-treatment stages were evaluated. Evaluation of cephalometric changes between initial and final treatment phases was performed by paired t test. RESULTS: The cases treated with the 10-Hour Force Theory presented a slight restriction of anterior displacement of the maxilla, increase in the effective length of the mandible, significant improvement of the maxillomandibular relationship, significant increase in anterior lower face height, distal tipping of the maxillary premolar crowns, extrusion and distal tipping of the roots of maxillary molars, significant proclination and protrusion of mandibular incisors, significant extrusion and mesialization of mandibular molars, besides a significant correction of the molar relationship, overjet and overbite. CONCLUSION: The use of the 10-Hour Force Theory in treatment of Class II malocclusion provided satisfactory results.OBJETIVO: esse estudo objetivou avaliar os efeitos cefalométricos promovidos pelo tratamento ortodôntico de pacientes com má oclusão de Classe II com o uso da Teoria de Força das 10 Horas, que consiste no uso de aparelho ortodôntico fixo, 8 horas diárias de uso de aparelho extrabucal cervical e 16 horas de uso de elásticos de Classe II, sendo 8 horas com apoio no primeiro molar inferior e 8 horas com apoio no segundo molar inferior. MÉTODOS: a amostra consistiu de 31 pacientes, com idade m

  18. A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands.

    Science.gov (United States)

    Varadwaj, Pradeep R; Cukrowski, Ignacy; Perry, Christopher B; Marques, Helder M

    2011-06-23

    The structure of the complexes of the type [Ni(L)(H(2)O)(2)](2+), where L is an amino alcohol ligand, L = N,N'-bis(2-hydroxyethyl)-ethane-1,2-diamine (BHEEN), N,N'-bis(2-hydroxycyclohexyl)-ethane-1,2-diamine (Cy(2)EN), and N,N'-bis(2-hydroxycyclopentyl)-ethane-1,2-diamine, (Cyp(2)EN) were investigated at the X3LYP/6-31+G(d,p) level of theory both in the gas phase and in solvent (CPCM model) to gain insight into factors that control the experimental log K(1) values. We find that (i) analyses based on Bader's quantum theory of atoms in molecules (QTAIM) are useful in providing significant insight into the nature of metal-ligand bonding and in clarifying the nature of weak "nonbonded" interactions in these complexes and (ii) the conventional explanation of complex stability in these sorts of complexes (based on considerations of bond lengths, bite angles and H-clashes) could be inadequate and indeed might be misleading. The strength of metal-ligand bonds follows the order Ni-N > Ni-OH ≥ Ni-OH(2); the bonds are predominantly ionic with some covalent character decreasing in the order Ni-N > Ni-OH > Ni-OH(2), with Ni-OH(2) being close to purely ionic. We predict that the cis complexes are preferred over the trans complexes because of (i) stronger bonding to the alcoholic O-donor atoms and (ii) more favorable intramolecular interactions, which appear to be important in determining the conformation of a metal-ligand complex. We show that (i) the flexibility of the ligand, which controls the Ni-OH bond length, and (ii) the ability of the ligand to donate electron density to the metal are likely to be important factors in determining values of log K(1). We find that the electron density at the ring critical point of the cyclopentyl moieties in Cyp(2)EN is much higher than that in the cyclohexyl moieties of Cy(2)EN and interpret this to mean that Cyp(2)EN is a poorer donor of electron density to a Lewis acid than Cy(2)EN.

  19. Monoxides of small terbium clusters: A density functional theory investigation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, G. L.; Yuan, H. K., E-mail: yhk10@swu.edu.cn; Chen, H.; Kuang, A. L.; Li, Y.; Wang, J. Z.; Chen, J. [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China)

    2014-12-28

    To investigate the effect of oxygen atom on the geometrical structures, electronic, and magnetic properties of small terbium clusters, we carried out the first-principles calculations on Tb{sub n}O (n = 1-14) clusters. The capping of an oxygen atom on one trigonal-facet of Tb{sub n} structures is always favored energetically, which can significantly improve the structural stability. The far-infrared vibrational spectroscopies are found to be different from those of corresponding bare clusters, providing a distinct signal to detect the characteristic structures of Tb{sub n}O clusters. The primary effect of oxygen atom on magnetic properties is to change the magnetic orderings among Tb atoms and to reduce small of local magnetic moments of the O-coordinated Tb atoms, both of which serve as the key reasons for the experimental magnetic evolution of an oscillating behavior. These calculations are consistent with, and help to account for, the experimentally observed magnetic properties of monoxide Tb{sub n}O clusters [C. N. Van Dijk et al., J. Appl. Phys. 107, 09B526 (2010)].

  20. The Adsorption of Cd(II on Manganese Oxide Investigated by Batch and Modeling Techniques

    Directory of Open Access Journals (Sweden)

    Xiaoming Huang

    2017-09-01

    Full Text Available Manganese (Mn oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999. The adsorption of Cd(II on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd at low pH and inner-sphere surface complexation sites (SOCd+ and (SO2CdOH− species at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface.

  1. A density functional theory study of the magnetic exchange coupling in dinuclear manganese(II) inverse crown structures.

    Science.gov (United States)

    Vélez, Ederley; Alberola, Antonio; Polo, Víctor

    2009-12-17

    The magnetic exchange coupling constants between two Mn(II) centers for a set of five inverse crown structures have been investigated by means of a methodology based on broken-symmetry unrestricted density functional theory. These novel and highly unstable compounds present superexchange interactions between two Mn centers, each one with S = 5/2 through anionic "guests" such as oxygen, benzene, or hydrides or through the cationic ring formed by amide ligands and alkali metals (Na, Li). Magnetic exchange couplings calculated at B3LYP/6-31G(d,p) level yield strong antiferromagnetic couplings for compounds linked via an oxygen atom or hydride and very small antiferromagnetic couplings for those linked via a benzene molecule, deprotonated in either 1,4- or 1,3- positions. Analysis of the magnetic orbitals and spin polarization maps provide an understanding of the exchange mechanism between the Mn centers. The dependence of J with respect to 10 different density functional theory potentials employed and the basis set has been analyzed.

  2. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques.

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong; Pan, Min

    2017-09-28

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R² > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X₂Cd) at low pH and inner-sphere surface complexation sites (SOCd⁺ and (SO)₂CdOH - species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water-mineral interface.

  3. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong

    2017-01-01

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd) at low pH and inner-sphere surface complexation sites (SOCd+ and (SO)2CdOH− species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface. PMID:28956849

  4. Adaptive Core Simulation Employing Discrete Inverse Theory - Part II: Numerical Experiments

    International Nuclear Information System (INIS)

    Abdel-Khalik, Hany S.; Turinsky, Paul J.

    2005-01-01

    Use of adaptive simulation is intended to improve the fidelity and robustness of important core attribute predictions such as core power distribution, thermal margins, and core reactivity. Adaptive simulation utilizes a selected set of past and current reactor measurements of reactor observables, i.e., in-core instrumentation readings, to adapt the simulation in a meaningful way. The companion paper, ''Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory,'' describes in detail the theoretical background of the proposed adaptive techniques. This paper, Part II, demonstrates several computational experiments conducted to assess the fidelity and robustness of the proposed techniques. The intent is to check the ability of the adapted core simulator model to predict future core observables that are not included in the adaption or core observables that are recorded at core conditions that differ from those at which adaption is completed. Also, this paper demonstrates successful utilization of an efficient sensitivity analysis approach to calculate the sensitivity information required to perform the adaption for millions of input core parameters. Finally, this paper illustrates a useful application for adaptive simulation - reducing the inconsistencies between two different core simulator code systems, where the multitudes of input data to one code are adjusted to enhance the agreement between both codes for important core attributes, i.e., core reactivity and power distribution. Also demonstrated is the robustness of such an application

  5. DNA incision evaluation, binding investigation and biocidal screening of Cu(II), Ni(II) and Co(II) complexes with isoxazole Schiff bases.

    Science.gov (United States)

    Ganji, Nirmala; Chityala, Vijay Kumar; Marri, Pradeep Kumar; Aveli, Rambabu; Narendrula, Vamsikrishna; Daravath, Sreenu; Shivaraj

    2017-10-01

    Two new series of binary metal complexes [M(L 1 ) 2 ] and [M(L 2 ) 2 ] where, M=Cu(II), Ni(II) & Co(II) and L 1 =4-((3,4-dimethylisoxazol-5-ylimino)methyl)benzene-1,3-diol; L 2 =2-((3,4-dimethylisoxazol-5-ylimino)methyl)-5-methoxyphenol were synthesized and characterized by elemental analysis, 1 H NMR, 13 C NMR, FT-IR, ESI mass, UV-Visible, magnetic moment, ESR, SEM and powder XRD studies. Based on these results, a square planar geometry is assigned for all the metal complexes where the Schiff base acts as uninegatively charged bidentate chelating agent via the hydroxyl oxygen and azomethine nitrogen atoms. DNA binding studies of all the complexes with calf thymus DNA have been comprehensively investigated using electronic absorption spectroscopy, fluorescence quenching and viscosity studies. The oxidative and photo cleavage affinity of metal complexes towards supercoiled pBR322 DNA has been ascertained by agarose gel electrophoresis assay. From the results, it is observed that all the metal complexes bind effectively to CT-DNA via an intercalative mode of binding and also cleave pBR322 DNA in a promising manner. Further the Cu(II) complexes have shown better binding and cleavage properties towards DNA. The antimicrobial activities of the Schiff bases and their metal complexes were studied on bacterial and fungal strains and the results denoted that the complexes are more potent than their Schiff base ligands. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Receiving efficiency of monostatic pulsed coherent lidars. I - Theory. II - Applications

    Science.gov (United States)

    Zhao, Yanzeng; Post, Madison J.; Hardesty, Michael

    1990-01-01

    Pulsed coherent radars' receiving efficiency, eta, is presently investigated as a function of range z on the basis of a theory which relates eta(z) to both the transmitted laser intensity and the point-source receiving efficiency; this efficiency is calculated by a backward method employing the back-propagated local oscillator (BPLO) approach. The theory is applied to the ideal case, in order to study system optimization when both the transmitted and the BPLO fields at the antenna are Gaussian. In the second part of this work, eta(z) is calculated for various conditions of the NOAA/ERL Wave Propagation Laboratory CO2 Doppler lidar; the sensitivity of eta(z) to transmitted laser beam quality, telescope focal setting, telescope power, scanner astigmatism, and system misalignment.

  7. Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes.

    Science.gov (United States)

    De Simone, Bruna C; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa

    2018-03-15

    How the tetraphenylporphyrin (TPP) and its zinc(II) complexes (ZnTPP) photophysical properties (absorption energies, singlet-triplet energy gap and spin-orbit coupling contributions) can change due to the presence of an increasing number of heavy atoms in their molecular structures has been investigated by means of density functional theory and its time-dependent formulation. Results show that the increase of the atomic mass of the substituted halogen strongly enhances the spin-orbit coupling values, allowing a more efficient singlet-triplet intersystem crossing. Different deactivation channels have been considered and rationalized on the basis of El-Sayed and Kasha rules. Most of the studied compounds possess the appropriate properties to generate cytotoxic singlet molecular oxygen ( 1 Δ g ) and, consequently, they can be proposed as photosensitizers in photodynamic therapy.

  8. A Study of Tongue and Pulse Diagnosis in Traditional Korean Medicine for Stroke Patients Based on Quantification Theory Type II

    Directory of Open Access Journals (Sweden)

    Mi Mi Ko

    2013-01-01

    Full Text Available In traditional Korean medicine (TKM, pattern identification (PI diagnosis is important for treating diseases. The aim of this study was to comprehensively investigate the relationship between the PI type and tongue diagnosis or pulse diagnosis variables. The study included 1,879 stroke patients who were admitted to 12 oriental medical university hospitals from June 2006 through March 2009. The status of the pulse and tongue was examined in each patient. Additionally, to investigate relatively important indicators related to specialist PI, the quantification theory type II analysis was performed regarding the PI type. In the first axis quantification of the external criteria, the Qi-deficiency and the Yin-deficiency patterns were located in the negative direction, while the dampness-phlegm (DP and fire-heat patterns were located in the positive direction. The explanatory variable with the greatest impact on the assessment was a fine pulse. In the second axis quantification, the external criteria were divided into either the DP or non-DP patterns. The slippery pulse exhibited the greatest effect on the division. This study attempted to build a model using a statistical method to objectively quantify PI and various indicators that constitute the unique diagnosis system of TKM. These results should assist the development of future diagnostic standards in stroke PI.

  9. Investigator Bias and Theory-Ladenness in Cross-Cultural Research: Insights from Wittgenstein

    Science.gov (United States)

    Tan, Charlene

    2016-01-01

    A relatively under-explored topic in the current literature on and methods for research in the field of comparative and international education is the problem of investigator bias in cross-cultural research. This article discusses the nature of and an approach to address investigator bias in research that originates from the theory-ladenness of…

  10. Investigation of resonant Raman scattering in type II GaAs/AlAs superlattices

    International Nuclear Information System (INIS)

    Choi, H.

    2001-01-01

    As a consequence of the band alignment in GaAs/AIAs superlattices (SLs) and the indirect nature of bulk AIAs, quantum confinement can be used to engineer a Type II system. This produces an electron population in the AIAs longitudinal (X z ) or transverse (X xy ) zone-edge states, which is separated in both direct and reciprocal space from the hole population in the GaAs zone-centre (Γ) states. This thesis is an investigation of the electronic and vibrational structure of Type II GaAs/AIAs SLs using theoretical models and spectroscopic techniques, with special emphasis on Type II resonant Raman (RR) scattering. The majority of this thesis concerns short-period GaAs/AIAs SLs with X z as the lowest conduction band state. A model of the SL electronic band structure is presented, including the effects of interband Γ-X z mixing and the X-point camel's back structure. Interband mixing makes Γ-X z radiative transitions observable in photoluminescence (PL) and RR experiments. Phonon-assisted transitions from the X z state are also observed in PL experiments. Several of the participating phonon modes are unambiguously identified, in good agreement with recent reports. This thesis presents the first detailed experimental and theoretical study of Type II RR scattering from the incoming channel of the X z -related Type II bandgap. The X z - related Type II incoming RR spectra in the GaAs optic phonon region are compared with the Γ-related Type I outgoing RR spectra within several theoretical models. Thereby, the mechanisms of the Type II RR scattering, the origins of the RR lineshape and the polarisation dependence, are fully explained, clarifying the spectral features observed in the GaAs zone-centre optic phonon region. The Type II resonance also allows the observation of zone boundary (X-point) phonons from intervalley (IV) scattering. A model of the IV electron-phonon interaction involving X conduction band electrons and zone boundary phonons in Type II SLs is presented

  11. Ab initio theory of superconductivity in a magnetic field. II. Numerical solution

    Science.gov (United States)

    Linscheid, A.; Sanna, A.; Gross, E. K. U.

    2015-07-01

    We numerically investigate the spin density functional theory for superconductors (SpinSCDFT) and the approximated exchange-correlation functional, derived and presented in the preceding Paper I [A. Linscheid et al., Phys. Rev. B 92, 024505 (2015), 10.1103/PhysRevB.92.024505]. As a test system, we employ a free-electron gas featuring an exchange splitting, a phononic pairing field, and a Coulomb repulsion. SpinSCDFT results are compared with Sarma, the Bardeen-Cooper-Schrieffer theory, and with an Eliashberg type of approach. We find that the spectrum of the superconducting Kohn-Sham SpinSCDFT system is not in agreement with the true quasiparticle structure. Therefore, starting from the Dyson equation, we derive a scheme that allows to compute the many-body excitations of the superconductor and represents the extension to superconductivity of the G0W0 method in band-structure theory. This superconducting G0W0 method vastly improves the predicted spectra.

  12. Emission Channeling Investigation of Implantation Defects and Impurities in II-VI-Semiconductors

    CERN Multimedia

    Trojahn, I; Malamud, G; Straver, J; Ronnqvist, C; Jahn, S-G; Restle, M

    2002-01-01

    Detailed knowledge on the behaviour of implantation damage and its influence on the lattice position and environment of implanted dopants in II-VI-compound semiconductors is necessary for a clear interpretation of results from other investigation methods and finally for technical utilization. Besides, a precise localization of impurities could help to clarify the discussion about the instability of the electrical properties of some dopants, called " aging ".\\\\ \\\\We intend to use the emission channeling method to investigate: \\\\ \\\\i) The behaviour of implantation damage which shall be probed by the lattice location of isoelectronic isotopes (Zn,Cd,Hg,Se,Te) directly after implantation at different temperatures, doses and vacancy densities and after annealing treatments, and ii) the precise lattice sites of the acceptor Ag and donor In under different conditions by implanting precursors Cd and In isotopes. \\\\ \\\\Further on we would like to test the application of a two-dimensional position and energy sensitive e...

  13. Binding of Mn(II) ions to lecithin bilayers as determined by ESR and NMR investigations

    International Nuclear Information System (INIS)

    Sabatini, G.; Tiezzi, E.; Valensin, G.

    1983-01-01

    The Mn(II)-lecithin system was investigated by means of paramagnetic relaxation studies. Unsonicated and sonicated aqueous dispersions were considered at various temperatures and pH values. Information was derived from both the frequency dependence of the ESR line shape and the paramagnetic contributions to the water proton relaxation rates. A dynamic equilibrium was suggested, by taking into account the role of the through-water cation binding in the metal-lipid interaction

  14. Kinetic Investigations on Pd(II) Catalyzed Oxidation of Some Amino ...

    African Journals Online (AJOL)

    Kinetic investigations on Pd(II) catalyzed oxidation of dl-serine and dl-threonine by acidic solution of potassium bromate in the presence of mercuric acetate, as a scavenger have been made in the temperature range of 30–45°C. The rate shows zero order kinetics in bromate [BrO3‾] and order of reaction is one with respect ...

  15. Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes.

    Science.gov (United States)

    Bräuer, Björn; Weigend, Florian; Fittipaldi, Maria; Gatteschi, Dante; Reijerse, Edward J; Guerri, Annalisa; Ciattini, Samuele; Salvan, Georgeta; Rüffer, Tobias

    2008-08-04

    In this work we present the investigation of the influence of electronic and structural variations induced by varying the N,N'-bridge on the magnetic properties of Cu(II)- bis(oxamato) complexes. For this study the complexes [Cu(opba)] (2-) ( 1, opba = o-phenylene- bis(oxamato)), [Cu(nabo)] (2-) ( 2, nabo = 2,3-naphthalene- bis(oxamato)), [Cu(acbo)] (2-) ( 3, acbo = 2,3-anthrachinone- bis(oxamato)), [Cu(pba)] (2-) ( 4, pba = propylene- bis(oxamato)), [Cu(obbo)] (2-) ( 5, obbo = o-benzyl- bis(oxamato)), and [Cu(npbo)] (2-) ( 6, npbo = 1,8-naphthalene- bis(oxamato)), and the respective structurally isomorphic Ni(II) complexes ( 8- 13) have been prepared as ( (n)Bu 4N) (+) salts. The new complex ( (n)Bu 4N) 2[Cu(R-bnbo)].2H 2O ( 7, R-bnbo = (R)-1,1'-binaphthalene-2,2'- bis(oxamato)) was synthesized and is the first chiral complex in the series of Cu(II)-bis(oxamato) complexes. The molecular structure of 7 has been determined by single crystal X-ray analysis. The Cu(II) ions of the complexes 1- 7 are eta (4)(kappa (2) N, kappa (2) O) coordinated with a more or less distorted square planar geometry for 1- 6 and a distorted tetrahedral geometry for 7. Using pulsed Electron Nuclear Double Resonance on complex 6, detailed information about the relative orientation of the hyperfine ( A) and nuclear quadrupole tensors ( Q) of the coordinating nitrogens with respect to the g tensor were obtained. Electron Paramagnetic Resonance studies in the X, Q, and W-band at variable temperatures were carried out to extract g and A values of N ligands and Cu ion for 1- 7. The hyperfine values were interpreted in terms of spin population on the corresponding atoms. The obtained trends of the spin population for the monomeric building blocks were shown to correlate to the trends obtained in the dependence of the exchange interaction of the corresponding trinuclear complexes on their geometry.

  16. Proceedings of the international colloquium on modern quantum field theory II

    International Nuclear Information System (INIS)

    Das, S.R.; Mandal, G.; Mukhi, S.; Wadia, S.R.

    1995-01-01

    In the second International Colloquium on Modern Quantum Field Theory an attempt was made to cover a broad spectrum of topics in theoretical physics that included string theory, quantum gravity, statistical mechanics, condensed matter theory, complexity, lattice gauge theory and epistemological aspects of quantum mechanics. Papers relevant to INIS in the published proceedings are indexed separately

  17. The Relation Between Policies Concerning Corporate Social Responsibility (CSR) and Philosophical Moral Theories - An Empirical Investigation

    DEFF Research Database (Denmark)

    Frederiksen, Claus Strue

    2010-01-01

    philosophical moral theories and the ethical content of business activities have mainly concentrated on the ethical decision-making of managers. Some of the most prominent investigations in that regard propose that managers mainly act in accordance with utilitarian moral theory (Fritzsche, D. J. and H. Becker......: 1984, Academy of Management Journal27(1), 166–175; Premeaux, S. and W. Mony: 1993, Journal of Business Ethics12, 349–357; Premeaux, S.: 2004, Journal of Business Ethics52, 269–278). I conclude that CSR policies are not based on utilitarian thinking, but instead, on some kind of common-sense morality......This article examines the relation between policies concerning Corporate Social Responsibility (CSR) and philosophical moral theories. The objective is to determine which moral theories form the basis for CSR policies. Are they based on ethical egoism, libertarianism, utilitarianism or some kind...

  18. Theory of superconductivity. II. Excited Cooper pairs. Why does sodium remain normal down to 0 K?

    International Nuclear Information System (INIS)

    Fujita, S.

    1992-01-01

    Based on a generalized BCS Hamiltonian in which the interaction strengths (V 11 , V 22 , V 12 ) among and between electron (12) and hole (2) Cooper pairs are differentiated, the thermodynamic properties of a type-I superconductor below the critical temperature T c are investigated. An expression for the ground-state energy, W - W 0 , relative to the unperturbed Block system is obtained. The usual BCS formulas are obtained in the limits: (all) V jl = V 0 , N 1 (0) = N 2 (0). Any excitations generated through the BCS interaction Hamiltonian containing V jl must involve Cooper pairs of antiparallel spins and nearly opposite momenta. The nonzero momentum or excited Cooper pairs below T c are shown to have an excitation energy band minimum lower than the quasi-electrons, which were regarded as the elementary excitations in the original BCS theory. The energy gap var-epsilon g (T) defined relative to excited and zero-momentum Copper pairs (when V jl > 0) decreases from var-epsilon g (0) to 0 as the temperature T is raised from 0 to T c . If electrons only are available as in a monovalent metal like sodium (V 12 = 0), the energy constant Δ 1 is finite but the energy gap vanishes identically for all T. In agreement with the BCS theory, the present theory predicts that a pure nonmagnetic metal in any dimensions should have a Cooper-pair ground state whose energy is lower than that of the Bloch ground state. Additionally it predicts that a monovalent metal should remain normal down to 0 K, and that there should be no strictly one-dimensional superconductor

  19. Investigation of the polarization state of dual APPLE-II undulators.

    Science.gov (United States)

    Hand, Matthew; Wang, Hongchang; Dhesi, Sarnjeet S; Sawhney, Kawal

    2016-01-01

    The use of an APPLE II undulator is extremely important for providing a high-brilliance X-ray beam with the capability to switch between various photon beam polarization states. A high-precision soft X-ray polarimeter has been used to systematically investigate the polarization characteristics of the two helical APPLE II undulators installed on beamline I06 at Diamond Light Source. A simple data acquisition and processing procedure has been developed to determine the Stokes polarization parameters for light polarized at arbitrary linear angles emitted from a single undulator, and for circularly polarized light emitted from both undulators in conjunction with a single-period undulator phasing unit. The purity of linear polarization is found to deteriorate as the polarization angle moves away from the horizontal and vertical modes. Importantly, a negative correlation between the degree of circular polarization and the photon flux has been found when the phasing unit is used.

  20. Investigation on a TEA-CO II laser with surface corona pre-ionization

    Science.gov (United States)

    Behjat, A.; Aram, M.; Soltanmoradi, F.; Shabanzadeh, M.

    2006-05-01

    The construction of a surface corona UV pre-ionized TEA CO II laser is described and dependence of its average output energy of the laser to gas mixture, discharge voltage and repetition rate is investigated. The electric circuit diagram and geometry of the pre-ionization system are presented. Configuration of circuit has been designed to produce only impulsive voltage difference between the laser electrodes. Also, the triggering configuration of trigatron is prepared for fast operation to minimize the arc occurrence as much as possible. Some data of current, voltage, laser pulses and average output energy versus gas mixture and applied voltages are given. IR spectrometer is used for measurements of central output wavelength of the laser. Operation of the laser on two adjacent vibrational-rotational transitions of CO II molecule has been observed that shows the ability of this laser for working on multi-line in a same time for special applications.

  1. Investigation on the formation of monomethylmercury(II) in the Elbe

    International Nuclear Information System (INIS)

    Ebinghaus, R.; Wilken, R.D.; Gisder, P.

    1994-01-01

    Very little is known about transformation reactions of pollutants attached to suspended materials in the Elbe. In the present study, the influence of bacteria present in suspended particulate matter and in Elbe sediments, on dynamic transformations of mercury species was investigated. The formation of highly toxic monomethylmercury is more effective in the presence of organotin, - lead and arsenic compounds, via transmethylation reactions, than in the presence of biogenic methyldonors. Under oxic conditions, bacteria isolated from suspended particulate matter decompose methlmercury very rapidly to inorganic Hg(II), which is immobilized by the cells. In sediments, redox potential and pH value are important for the formation of methylmercury. Under anoxic conditions a pH of 6.5 is advantageous for the methylation of mercury(II)ions. (orig.) [de

  2. Unbounded representations of symmetry groups in gauge quantum field theory. II. Integration

    International Nuclear Information System (INIS)

    Voelkel, A.H.

    1986-01-01

    Within the gauge quantum field theory of the Wightman--Garding type, the integration of representations of Lie algebras is investigated. By means of the covariance condition (substitution rules) for the basic fields, it is shown that a form skew-symmetric representation of a Lie algebra can be integrated to a form isometric and in general unbounded representation of the universal covering group of a corresponding Lie group provided the conditions (Nelson, Sternheimer, etc.), which are well known for the case of Hilbert or Banach representations, hold. If a form isometric representation leaves the subspace from which the physical Hilbert space is obtained via factorization and completion invariant, then the same is proved to be true for its differential. Conversely, a necessary and sufficient condition is derived for the transmission of the invariance of this subspace under a form skew-symmetric representation of a Lie algebra to its integral

  3. Nonlinear scattering from a plasma column. I - Theory. II Special cases

    Science.gov (United States)

    Crawford, F. W.; Harker, K. J.

    1983-01-01

    The scattered signal excited by nonlinear mixing of two plane waves normally incident on an infinitely long column of plasma is investigated. A general solution is obtained for the polarization in which the electric field vectors of the waves are perpendicular to the column axis and the column is assumed to be radically inhomogeneous. This general theory is then applied to the special cases of the inhomogeneous column in the long-wavelength limit, and the homogeneous column both for the general case and in the long-wavelength limit. It is determined that dipole and quadrupole components should predominate in the polar radiation pattern for the long-wavelength case. The special case of second harmonic generation due to a single incident wave is analyzed in detail. Nonlinear scattering coefficients are computed, and the corresponding polar radiation patterns are determined. The findings of this study are employed to evaluate the feasibility of observing nonlinear scattering from meteor trails.

  4. Gauge theories of partial compositeness: scenarios for Run-II of the LHC

    International Nuclear Information System (INIS)

    Ferretti, Gabriele

    2016-01-01

    We continue our investigation of gauge theories in which the Higgs boson arises as a pseudo-Nambu-Goldstone boson (pNGB) and top-partners arise as bound states of three hyperfermions. All models have additional pNGBs in their spectrum that should be accessible at LHC. We analyze the patterns of symmetry breaking and present all relevant couplings of the pNGBs with the gauge fields. We discuss how vacuum misalignment and a mass for the pNGBs is generated by a loop-induced potential. Finally, we paint a very broad, qualitative, picture of the kind of experimental signatures these models give rise to, setting the stage for further analysis.

  5. Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Amber; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2015-10-07

    We investigate a simple approach to compute a non-adiabatic thermal rate constant using the fewest switches surface hopping (FSSH) dynamics. We study the effects of both decoherence (using our augmented-FSSH (A-FSSH) algorithm) and forbidden hops over a large range of parameters, including high and low friction regimes, and weak and strong electronic coupling regimes. Furthermore, when possible, we benchmark our results against exact hierarchy equations of motion results, where we usually find a maximum error of roughly a factor of two (at reasonably large temperatures). In agreement with Hammes-Schiffer and Tully, we find that a merger of transition state theory and surface hopping can be both accurate and efficient when performed correctly. We further show that detailed balance is followed approximately by A-FSSH dynamics.

  6. Theory of flux cutting and flux transport at the critical current of a type-II superconducting cylindrical wire

    International Nuclear Information System (INIS)

    Clem, John R.

    2011-01-01

    I introduce a critical-state theory incorporating both flux cutting and flux transport to calculate the magnetic-field and current-density distributions inside a type-II superconducting cylinder at its critical current in a longitudinal applied magnetic field. The theory is an extension of the elliptic critical-state model introduced by Romero-Salazar and Perez-Rodriguez. The vortex dynamics depend in detail on two nonlinear effective resistivities for flux cutting (ρ(parallel)) and flux flow (ρ(perpendicular)), and their ratio r = ρ(parallel)/ρ(perpendicular). When r c (φ) that makes the vortex arc unstable.

  7. Lamb shift in muonic hydrogen-II. Analysis of the discrepancy of theory and experiment

    International Nuclear Information System (INIS)

    Jentschura, U.D.

    2011-01-01

    Research highlights: → Various theoretical explanation for the recently observed experimental-theoretical discrepancy in the muonic hydrogen Lamb shift are explored. → These include a dip in the proton form factor slope, nonperturbative vacuum polarization and millicharged virtual particles, as well as process-dependent screening corrections. → Screening corrections may need to be explored further. → The need for an alternative determination of the Rydberg constant is highlighted. - Abstract: Currently, both the g factor measurement of the muon as well as the Lamb shift 2S-2P measurement in muonic hydrogen are in disagreement with theory. Here, we investigate possible theoretical explanations, including proton structure effects and small modifications of the vacuum polarization potential. In particular, we investigate a conceivable small modification of the spectral function of vacuum polarization in between the electron and muon energy scales due to a virtual millicharged particle and due to an unstable vector boson originating from a hidden sector of an extended standard model. We find that a virtual millicharged particle which could explain the muonic Lamb shift discrepancy alters theoretical predictions for the muon anomalous magnetic moment by many standard deviations and therefore is in conflict with experiment. Also, we find no parameterizations of an unstable virtual vector boson which could simultaneously explain both 'muonic' discrepancies without significantly altering theoretical predictions for electronic hydrogen, where theory and experiment currently are in excellent agreement. A process-dependent correction involving electron screening is evaluated to have the right sign and order-of-magnitude to explain the observed effect in muonic hydrogen. Additional experimental evidence from light muonic atoms and ions is needed in order to reach further clarification.

  8. Attributional Theory in Investigating Public Music Performance in Higher Music Education

    Science.gov (United States)

    Schneider Grings, Ana Francisca; Hentschke, Liane

    2017-01-01

    The purpose of this research was to investigate the causes attributed by undergraduate music students to situations of failure and success in public music performance. Attributional Theory has been used in this research as the theoretical framework to understand how situations of success and failure are interpreted by the person of the activity.…

  9. Investigating Learner Attitudes toward E-Books as Learning Tools: Based on the Activity Theory Approach

    Science.gov (United States)

    Liaw, Shu-Sheng; Huang, Hsiu-Mei

    2016-01-01

    This paper investigates the use of e-books as learning tools in terms of learner satisfaction, usefulness, behavioral intention, and learning effectiveness. Based on the activity theory approach, this research develops a research model to understand learner attitudes toward e-books in two physical sizes: 10? and 7?. Results suggest that screen…

  10. Emotion and Theory of Mind in Schizophrenia-Investigating the Role of the Cerebellum.

    Science.gov (United States)

    Mothersill, Omar; Knee-Zaska, Charlotte; Donohoe, Gary

    2016-06-01

    Social cognitive dysfunction, including deficits in facial emotion recognition and theory of mind, is a core feature of schizophrenia and more strongly predicts functional outcome than neurocognition alone. Although traditionally considered to play an important role in motor coordination, the cerebellum has been suggested to play a role in emotion processing and theory of mind, and also shows structural and functional abnormalities in schizophrenia. The aim of this systematic review was to investigate the specific role of the cerebellum in emotion and theory of mind deficits in schizophrenia using previously published functional neuroimaging studies. PubMed and PsycINFO were used to search for all functional neuroimaging studies reporting altered cerebellum activity in schizophrenia patients during emotion processing or theory of mind tasks, published until December 2014. Overall, 14 functional neuroimaging studies were retrieved. Most emotion studies reported lower cerebellum activity in schizophrenia patients relative to healthy controls. In contrast, the theory of mind studies reported mixed findings. Altered activity was observed across several posterior cerebellar regions involved in emotion and cognition. Weaker cerebellum activity in schizophrenia patients relative to healthy controls during emotion processing may contribute to blunted affect and reduced ability to recognise emotion in others. This research could be expanded by examining the relationship between cerebellum function, symptomatology and behaviour, and examining cerebellum functional connectivity in patients during emotion and theory of mind tasks.

  11. Quality of Life Theory II. Quality of Life as the Realization of Life Potential: A Biological Theory of Human Being

    Directory of Open Access Journals (Sweden)

    Soren Ventegodt

    2003-01-01

    Full Text Available This review presents one of the eight theories of the quality of life (QOL used for making the SEQOL (self-evaluation of quality of life questionnaire or the quality of life as realizing life potential. This theory is strongly inspired by Maslow and the review furthermore serves as an example on how to fulfill the demand for an overall theory of life (or philosophy of life, which we believe is necessary for global and generic quality-of-life research.Whereas traditional medical science has often been inspired by mechanical models in its attempts to understand human beings, this theory takes an explicitly biological starting point. The purpose is to take a close view of life as a unique entity, which mechanical models are unable to do. This means that things considered to be beyond the individual's purely biological nature, notably the quality of life, meaning in life, and aspirations in life, are included under this wider, biological treatise. Our interpretation of the nature of all living matter is intended as an alternative to medical mechanism, which dates back to the beginning of the 20th century. New ideas such as the notions of the human being as nestled in an evolutionary and ecological context, the spontaneous tendency of self-organizing systems for realization and concord, and the central role of consciousness in interpreting, planning, and expressing human reality are unavoidable today in attempts to scientifically understand all living matter, including human life.

  12. Investigating an approach to the alliance based on interpersonal defense theory.

    Science.gov (United States)

    Westerman, Michael A; Muran, J Christopher

    2017-09-01

    Notwithstanding consistent findings of significant relationships between the alliance and outcome, questions remain to be answered about the relatively small magnitude of those correlations, the mechanisms underlying the association, and how to conceptualize the alliance construct. We conducted a preliminary study of an approach to the alliance based on interpersonal defense theory, which is an interpersonal reconceptualization of defense processes, to investigate the promise of this alternative approach as a way to address the outstanding issues. We employed qualitative, theory-building case study methodology, closely examining alliance processes at four time points in the treatment of a case in terms of a case formulation based on interpersonal defense theory. The results suggested that our approach made it possible to recognize key processes in the alliance and that it helps explain how the alliance influences outcome. Our analyses also provided a rich set of concrete illustrations of the alliance phenomena identified by the theory. The findings suggest that an approach to the alliance based on interpersonal defense theory holds promise. However, although the qualitative method we employed has advantages, it also has limitations. We offer suggestions about how future qualitative and quantitative investigations could build on this study.

  13. On the foundations of special theory of relativity - II. (The principle of covariance and a basic inertial frame)

    International Nuclear Information System (INIS)

    Gulati, S.P.; Gulati, S.

    1979-01-01

    An attempt has been made to replace the principle of relativity with the principle of covariance. This amounts to modification of the theory of relativity based on the two postulates (i) the principle of covariance and (ii) the light principle. Some of the fundamental results and the laws of relativistic mechanics, electromagnetodynamics and quantum mechanics are re-examined. The principle of invariance is questioned. (A.K.)

  14. Investigation of the polarization state of dual APPLE-II undulators

    International Nuclear Information System (INIS)

    Hand, Matthew; Wang, Hongchang; Dhesi, Sarnjeet S.; Sawhney, Kawal

    2016-01-01

    Complete polarization analysis of the photon beam produced by a dual APPLE-II undulator configuration using a multilayer-based soft X-ray polarimeter is given. The use of an APPLE II undulator is extremely important for providing a high-brilliance X-ray beam with the capability to switch between various photon beam polarization states. A high-precision soft X-ray polarimeter has been used to systematically investigate the polarization characteristics of the two helical APPLE II undulators installed on beamline I06 at Diamond Light Source. A simple data acquisition and processing procedure has been developed to determine the Stokes polarization parameters for light polarized at arbitrary linear angles emitted from a single undulator, and for circularly polarized light emitted from both undulators in conjunction with a single-period undulator phasing unit. The purity of linear polarization is found to deteriorate as the polarization angle moves away from the horizontal and vertical modes. Importantly, a negative correlation between the degree of circular polarization and the photon flux has been found when the phasing unit is used

  15. Investigation of the polarization state of dual APPLE-II undulators

    Energy Technology Data Exchange (ETDEWEB)

    Hand, Matthew; Wang, Hongchang, E-mail: hongchang.wang@diamond.ac.uk; Dhesi, Sarnjeet S.; Sawhney, Kawal [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom)

    2016-01-01

    Complete polarization analysis of the photon beam produced by a dual APPLE-II undulator configuration using a multilayer-based soft X-ray polarimeter is given. The use of an APPLE II undulator is extremely important for providing a high-brilliance X-ray beam with the capability to switch between various photon beam polarization states. A high-precision soft X-ray polarimeter has been used to systematically investigate the polarization characteristics of the two helical APPLE II undulators installed on beamline I06 at Diamond Light Source. A simple data acquisition and processing procedure has been developed to determine the Stokes polarization parameters for light polarized at arbitrary linear angles emitted from a single undulator, and for circularly polarized light emitted from both undulators in conjunction with a single-period undulator phasing unit. The purity of linear polarization is found to deteriorate as the polarization angle moves away from the horizontal and vertical modes. Importantly, a negative correlation between the degree of circular polarization and the photon flux has been found when the phasing unit is used.

  16. A numerical assessment of rough surface scattering theories. I - Horizontal polarization. II - Vertical polarization

    Science.gov (United States)

    Rodriguez, Ernesto; Kim, Yunjin; Durden, Stephen L.

    1992-01-01

    A numerical evaluation is presented of the regime of validity for various rough surface scattering theories against numerical results obtained by employing the method of moments. The contribution of each theory is considered up to second order in the perturbation expansion for the surface current. Considering both vertical and horizontal polarizations, the unified perturbation method provides best results among all theories weighed.

  17. Multiple Intelligences and ESL Teaching and Learning: An Investigation in KG II Classrooms in One Private School in Beirut, Lebanon

    Science.gov (United States)

    Ghamrawi, Norma

    2014-01-01

    This study examined teachers' use of the Multiple Intelligences Theory on vocabulary acquisition by preschoolers during English as a second language (ESL) classes in a K-12 school in Lebanon. Eighty kindergartners (KG II, aged 5 years) and eight teachers constituted the sample. The study used mixed methods, including observations of videotaped…

  18. Mind-ception: Investigating the relationship between theory of mind and decision making

    OpenAIRE

    Ahamed, Hassan; Kurczek, Jake

    2016-01-01

    Ahamed, H., & Kurczek, J. (2016, April). Mind-ception: Investigating the relationship between theory of mind and decision making. Poster Presentation at the 31st Annual LVAIC Undergraduate Psychology Conference. Bethlehem, PA. •  Much of our decision making (DM) requires either direct or indirect considerations of others’ thoughts (McCubbins, et al., 2012). •  Theory of Mind (ToM – the capacity to infer the thoughts/intentions of others) is an abi...

  19. Role theory: a framework to investigate the community nurse role in contemporary health care systems.

    Science.gov (United States)

    Brookes, Kim; Davidson, Patricia M; Daly, John; Halcomb, Elizabeth J

    2007-01-01

    Nurses' perceptions of their role are influenced by societal attitudes, government policies and trends in professional issues. Dynamic factors in contemporary health environments challenge traditional nursing roles, in particular those of community nurses. Role theory is a conceptual framework that defines how individuals behave in social situations and how these behaviours are perceived by external observers. This paper reviews the role theory literature as a conceptual framework to explore community nurses' perceptions of their role. Three theoretical perspectives of role theory have emerged from the literature review: 1. social structuralism 2. symbolic interactionism and 3. the dramaturgical perspective. These philosophical perspectives provide a useful framework to investigate the role of community nurses in the contemporary health care system.

  20. Combined Electrical, Optical and Nuclear Investigations of Impurities and Defects in II-VI Semiconductors

    CERN Multimedia

    2002-01-01

    % IS325 \\\\ \\\\ To achieve well controlled bipolar conductivity in II-VI semiconductors represents a fundamental problem in semiconductor physics. The doping problems are controversely discussed, either in terms of self compensation or of compensation and passivation by unintentionally introduced impurities. \\\\ \\\\It is the goal of our experiments at the new ISOLDE facility, to shed new light on these problems and to look for ways to circumvent it. For this aim the investigation of impurities and native defects and the interaction between each other shall be investigated. The use of radioactive ion beams opens the access to controlled site selective doping of only one sublattice via nuclear transmutation. The compensating and passivating mechanisms will be studied by combining nuclear, electrical and optical methods like Perturbed Angular Correlation~(PAC), Hall Effect~(HE), Deep Level Transient Spectroscopy~(DLTS), Photoluminescence Spectroscopy~(PL) and electron paramagnetic resonance (EPR). \\\\ \\\\We intend to ...

  1. Ni(II, Pd(II and Pt(II complexes with ligand containing thiosemicarbazone and semicarbazone moiety: synthesis, characterization and biological investigation

    Directory of Open Access Journals (Sweden)

    SULEKH CHANDRA

    2008-07-01

    Full Text Available The synthesis of nickel(II, palladium(II and platinum(II complexes with thiosemicarbazone and semicarbazone of p-tolualdehyde are reported. All the new compounds were characterized by elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, 1H-NMR, IR and electronic spectral studies. Based on the molar conductance measurements in DMSO, the complexes may be formulated as [Ni(L2Cl2] and [M(L2]Cl2 (where M = Pd(II and Pt(II due to their non-electrolytic and 1:2 electrolytic nature, respectively. The spectral data are consistent with an octahedral geometry around Ni(II and a square planar geometry for Pd(II and Pt(II, in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulphur/oxygen atoms. The ligands and their metal complexes were screened in vitro against fungal species Alternaria alternata, Aspergillus niger and Fusarium odum, using the food poison technique.

  2. Extension of Applicability of integral neutron transport theory in reactor cell and core investigation

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.; Bosevski, T.; Kocic, A.; Altiparmakov, D.

    1980-01-01

    A Space-Point Energy-Group integral transport theory method (SPEG) is developed and applied to the local and global calculations of the Yugoslav RA reactor. Compared to other integral transport theory methods, the SPEG distinguishes by (1) the arbitrary order of the polynomial, (2) the effective determination of integral parameters through point flux values, (3) the use of neutron balance condition. as a posterior measure of the accuracy of the calculation and (4) the elimination of the subdivisions- into zones, in realistic cases. In addition, different direct (collision probability) and indirect (Monte Carlo) approaches to integral transport theory have been investigated and Some effective acceleration procedures introduced. The study was performed on three test problems in plane and cylindrical geometry, as well as on the nine-region cell of the RA reactor. In particular, the limitations of the integral transport theory including its non-applicability to optically large material regions and to global reactor calculations were examined. The proposed strictly multipoint approach, avoiding the subdivision into zones and groups, seems to provide a good starting point to overcome these limitations of the integral transport theory. (author)

  3. Mysterious inhibitory cell regulator investigated and found likely to be secretogranin II related

    Directory of Open Access Journals (Sweden)

    John E. Hart

    2017-10-01

    of secretogranin II of ∼70 residues, SgII-70, with the anti-EPL001 antibody seeing a discontinuous epitope. The fly antigen is probably Q9W2X8 (UniProt, an uncharacterised protein newly disclosed as a granin and provisionally dubbed macrogranin I (MgI. SgII and Q9W2X8 merit further investigation in the context of tissue-mass inhibition.

  4. DFT investigation of Ni(II) adsorption onto MA-DTPA/PVDF chelating membrane in the presence of coexistent cations and organic acids.

    Science.gov (United States)

    Song, Laizhou; Zhao, Xiaodan; Fu, Jie; Wang, Xiuli; Sheng, Yiping; Liu, Xiaowei

    2012-01-15

    Melamine-diethylenetriaminepentaacetic acid/polyvinylidene fluoride (MA-DTPA/PVDF) chelating membrane bearing polyaminecarboxylate groups was used to remove Ni(II) from nickel plating effluents. Adsorption experiments were conducted to study the adsorption of the membrane towards Ni(II) in Ni(II)-Ca(II), Ni(II)-NH(4)(+), Ni(II)-Fe(III) binary systems, and Ni(II)-lactic acid, Ni(II)-succinic acid and Ni(II)-citric acid complex systems. For the ternary nickel plating processes, the effects of 3d transition metals including Fe(II), Co(II), Cu(II) and Zn(II) on Ni(II) adsorption were evaluated. The influences of the aforementioned coexistent cations and organic acids were elucidated by the continuum solvation model (COSMO)-corrected density functional theory (DFT) method. Geometries and complexation energies were analyzed for metal-MA-DTPA and Ni(II)-organic acid complexes. DFT results accord with the experimental data, indicating that DFT is helpful to evaluate the complexation between the membrane and metal cations. The coexistent Ca(II) tends to form more stable complex with MA-DTPA ligand than NH(4)(+) and Fe(III), and can interfere with the formation of Ni(II)-MA-DTPA complex. The complexing sequence of 3d metals with MA-DTPA ligand is Zn(II)). Therefore, both Fe(II) and Cu(II) have the considerable competition with Ni(II). The stabilities of Ni(II)-organic acid complexes follow the order of lactic acidII)-MA-DTPA complex. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

    Science.gov (United States)

    Mohamed, Gehad G.; El-Gamel, Nadia E. A.

    2004-11-01

    The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

  6. Adducts of nitrogenous ligands with rhodium(II) tetracarboxylates and tetraformamidinate: NMR spectroscopy and density functional theory calculations.

    Science.gov (United States)

    Cmoch, Piotr; Głaszczka, Rafał; Jaźwiński, Jarosław; Kamieński, Bohdan; Senkara, Elżbieta

    2014-03-01

    Complexation of tetrakis(μ2-N,N'-diphenylformamidinato-N,N')-di-rhodium(II) with ligands containing nitrile, isonitrile, amine, hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups has been studied in liquid and solid phases using (1)H, (13)C and (15)N NMR, (13)C and (15)N cross polarisation-magic angle spinning NMR, and absorption spectroscopy in the visible range. The complexation was monitored using various NMR physicochemical parameters, such as chemical shifts, longitudinal relaxation times T1 , and NOE enhancements. Rhodium(II) tetraformamidinate selectively bonded only unbranched amine (propan-1-amine), pentanenitrile, and (1-isocyanoethyl)benzene. No complexation occurred in the case of ligands having hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups, and more expanded amine molecules such as butan-2-amine and 1-azabicyclo[2.2.2]octane. Such features were opposite to those observed in rhodium(II) tetracarboxylates, forming adducts with all kind of ligands. Special attention was focused on the analysis of Δδ parameters, defined as a chemical shift difference between signal in adduct and corresponding signal in free ligand. In the case of (1)H NMR, Δδ values were either negative in adducts of rhodium(II) tetraformamidinate or positive in adducts of rhodium(II) tetracarboxylates. Experimental findings were supported by density functional theory molecular modelling and gauge independent atomic orbitals chemical shift calculations. The calculation of chemical shifts combined with scaling procedure allowed to reproduce qualitatively Δδ parameters. Copyright © 2013 John Wiley & Sons, Ltd.

  7. Physico - chemical investigation on Co(II), Ni(II), Cu(II), Zn(II), Cd(II), UO2+2 and VO+2 ions-O-(-N-3,5-dichloro-α-pyridone imino)

    International Nuclear Information System (INIS)

    Mathur, Praveen; Trivedi, Pradeep; Mehta, R.K.

    1983-01-01

    Studies on the interaction of newly synthesised ligand, O-(N-3, 5-dichloro-α-pyridone imino) benzene sulphonic acid (H 2 PB) with Co(II), Ni(II), Cu(II), Zn(II), Cd(II), UO 2 +2 and VO +2 have been carried out potentiometrically. Many physico-chemical studies on thermodynamics, elemental analysis, molecular weight, magnetic moment, conductance, electronic and IR spectra have also been made on the solid chelates and their adducts. The dissociation constants of H 2 PB and stabilities of its bivalent chelates have been evaluated potentiometrically at 25deg, 35deg and 45degC in aqueous medium (0.01M, 0.05M and 0.1M NaClO 4 ) by Bjerrum's method. The stability sequence is in agreement with the Irving-William's rule. (author)

  8. Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application.

    Science.gov (United States)

    Li, Zhendong; Liu, Wenjian; Zhang, Yong; Suo, Bingbing

    2011-04-07

    The excited states of open-shell systems calculated by unrestricted Kohn-Sham-based time-dependent density functional theory (U-TD-DFT) are often heavily spin-contaminated and hence meaningless. This is solved ultimately by the recently proposed spin-adapted time-dependent density functional theory (TD-DFT) (S-TD-DFT) [J. Chem. Phys. 133, 064106 (2010)]. Unlike the standard restricted open-shell Kohn-Sham-based TD-DFT (R-TD-DFT) which can only access the singlet-coupled single excitations, the S-TD-DFT can capture both the singlet- and triplet-coupled single excitations with the same computational effort as the U-TD-DFT. The performances of the three approaches (U-TD-DFT, R-TD-DFT, and S-TD-DFT) are compared for both the spin-conserving and spin-flip excitations of prototypical open-shell systems, the nitrogen (N(2)(+)) and naphthalene (C(10)H(8)(+)) cations. The results show that the S-TD-DFT gives rise to balanced descriptions of excited states of open-shell systems.

  9. New investigations of the guanine trichloro cuprate(II) complex crystal

    Science.gov (United States)

    Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Ivanišević, Irena; Mohaček-Grošev, Vlasta; Sanković, Krešimir

    2017-01-01

    Crystals of the guanine trichloro cuprate(II) complex, (HGua)2[Cu2Cl6]·2H2O (HGua = protonated guanine), were prepared and analysed by spectroscopic (IR, Raman) and computational methods. A new single-crystal X-ray diffraction analysis was conducted to obtain data with lower standard uncertainties than those in the previously published structure. Raman and IR spectroscopy and quantum-mechanical analysis gave us new insight into the vibrational states of the (HGua)2[Cu2Cl6]·2H2O crystal. The vibrational spectra of the crystal were assigned by performing a normal coordinate analysis for a free dimer with a centre of inversion as the only symmetry element. The stretching vibration observed at 279 cm-1 in the infrared spectrum corresponds to the N-Cu bond. The noncovalent interaction (NCI) plots and quantum theory of atoms in molecules (QTAIM) analysis of the electron density obtained from periodic DFT calculations elucidated the interactions that exist within the crystal structure. Closed-shell ionic attractions, as well as weak and medium strength hydrogen bonds, prevailed in the crystal packing.

  10. Environmental compatibility investigation of the Garzweiler II open cast mine project

    International Nuclear Information System (INIS)

    Oster, A.; Gaertner, D.

    1994-01-01

    Based on an EEC directive, the law on the investigation of ecological compatibility came into force in 1990. With the application of these European directives in national law, investigations to determine the ecological compatibility must now be carried out for projects to exploit brown coal. In this connection and in conjunction with the licensing procedure for Garzweiler II, Rheinbraun in 1992 for the first time compiled data on the investigations carried out to determine the ecological compatibility of an open cast mine. The data on these investigations include information on the necessity of the open cast mine and on alternative projects that have been examined, as well as a description of the project in question as regards its nature and extent. As far as the legally specified protected objects are concerned, i.e. people, water, air, nature (animals and plants, soil, climate and landscape) as well as cultural and other material objects, itemized data are furnished on the development and effects of the project and on countermeasures and the planned traffic and transport concept. (orig.) [de

  11. Ginzburg-Landau-Gor close-quote kov theory of magnetic oscillations in a type-II two-dimensional superconductor

    International Nuclear Information System (INIS)

    Bruun, G.M.; Nicopoulos, V.N.; Johnson, N.F.

    1997-01-01

    We investigate de Haas endash van Alphen (dHvA) oscillations in the mixed state of a type-II two-dimensional superconductor within a self-consistent Gor close-quote kov perturbation scheme. Assuming that the order parameter forms a vortex lattice we can calculate the expansion coefficients exactly to any order. We have tested the results of the perturbation theory to fourth and eighth order against an exact numerical solution of the corresponding Bogoliubov endash de Gennes equations. The perturbation theory is found to describe well the onset of superconductivity close to the transition point H c2 . Contrary to earlier calculations by other authors we do not find that the perturbative scheme predicts any maximum of the dHvA oscillations below H c2 . Instead we obtain a substantial damping of the magnetic oscillations in the mixed state as compared to the normal state. We have examined the effect of an oscillatory chemical potential due to particle conservation and the effect of a finite Zeeman splitting. Furthermore, we have investigated the recently debated issue of the possibility of a sign change of the fundamental harmonic of the magnetic oscillations. Our theory is compared with experiment and we have found good agreement. copyright 1997 The American Physical Society

  12. Cybernetically sound organizational structures II: Relating de Sitter's design theory to Beer's viable system model

    NARCIS (Netherlands)

    Achterbergh, J.M.I.M.; Vriens, D.J.

    2011-01-01

    - Purpose – The purpose of this paper is to show how the viable system model (VSM) and de Sitter's design theory can complement each other in the context of the diagnosis and design of viable organizations. - Design/methodology/approach – Key concepts from Beer's model and de Sitter's design theory

  13. Introduction to modern theoretical physics. Volume II. Quantum theory and statistical physics

    International Nuclear Information System (INIS)

    Harris, E.G.

    1975-01-01

    The topics discussed include the history and principles, some solvable problems, and symmetry in quantum mechanics, interference phenomena, approximation methods, some applications of nonrelativistic quantum mechanics, relativistic wave equations, quantum theory of radiation, second quantization, elementary particles and their interactions, thermodynamics, equilibrium statistical mechanics and its applications, the kinetic theory of gases, and collective phenomena

  14. Adler's theorem in finite massless QED and possible extensions to non-Abelian gauge theories. II

    International Nuclear Information System (INIS)

    Bernstein, J.

    1975-01-01

    The indefinite metric produced by the ghost fields in the Coulomb gauge in Yang-Mills theories is discussed. It is shown that the ghosts greatly complicate the job of proving, or disproving, an Adler theorem in this gauge. An old result of Schwinger for Coulomb gauge Yang-Mills theories is also found to be compromised by ghosts. (Auth.)

  15. Infinite dimensional gauge structure of Kaluza-Klein theories II: D>5

    International Nuclear Information System (INIS)

    Aulakh, C.S.; Sahdev, D.

    1985-12-01

    We carry out the dimensional reduction of the pure gravity sector of Kaluza Klein theories without making truncations of any sort. This generalizes our previous result for the 5-dimensional case to 4+d(>1) dimensions. The effective 4-dimensional action has the structure of an infinite dimensional gauge theory

  16. Exactly renormalizable model in quantum field theory. II. The physical-particle representation

    NARCIS (Netherlands)

    Ruijgrok, Th.W.

    1958-01-01

    For the simplified model of quantum field theory discussed in a previous paper it is shown how the physical particles can be properly described by means of the so-called asymptotically stationary (a.s.) states. It is possible by formulating the theory in terms of these a.s. states to express it

  17. Clinical and genetic investigation of families with type II Waardenburg syndrome.

    Science.gov (United States)

    Chen, Yong; Yang, Fuwei; Zheng, Hexin; Zhou, Jianda; Zhu, Ganghua; Hu, Peng; Wu, Weijing

    2016-03-01

    The present study aimed to investigate the molecular pathology of Waardenburg syndrome type II in three families, in order to provide genetic diagnosis and hereditary counseling for family members. Relevant clinical examinations were conducted on the probands of the three pedigrees. Peripheral blood samples of the probands and related family members were collected and genomic DNA was extracted. The coding sequences of paired box 3 (PAX3), microphthalmia‑associated transcription factor (MITF), sex‑determining region Y‑box 10 (SOX10) and snail family zinc finger 2 (SNAI2) were analyzed by polymerase chain reaction and DNA sequencing. The heterozygous mutation, c.649_651delAGA in exon 7 of the MITF gene was detected in the proband and all patients of pedigree 1; however, no pathological mutation of the relevant genes (MITF, SNAI2, SOX10 or PAX3) was detected in pedigrees 2 and 3. The heterozygous mutation c.649_651delAGA in exon 7 of the MITF gene is therefore considered the disease‑causing mutation in pedigree 1. However, there are novel disease‑causing genes in Waardenburg syndrome type II, which require further research.

  18. Investigation of Pb(II Removal from Synthetic Wastewater by Using Azolla Filiculoides Biomass

    Directory of Open Access Journals (Sweden)

    Davoud Balarak

    2015-06-01

    Full Text Available Background and Aim: Discharge of industrial wastewater containing Pb into the environment can have harmful effects in the live organisms. Therefore, Pb must be removed from polluted water using an effective method before being discharged into the environment. The purpose of the present study was to examine Pb removal using alga Azolla biomass. Materials and Methods: In this experimental study, removal of Pb(II was performed using Azolla biomass considering changes in time, pH, adsorbent dose, initial concentration of Pb and mixing speed. Experiments were performed in batch reactor in flasks on Shaker. , Atomic absorption spectrophotometry was used for Pb determination. All experiments were conducted in triplicate and the mean removal percent was reported. Finally, biosorption kinetic and equilibrium isotherms of adsorbent was investigated. Results: It was found that the higher removal efficiency of Pb occurred in pH 6 and aoptimum dsorbent dose 7 g/L. With increase in the initial concentration of Pb, removal efficincy decreased and with increasing of contact time and mixing speed,efficincy increased. Data also showed that the Langmuir isotherm and pseudo second-order kinetic are compliance. Conclusion: Azolla biomass is an efficient and low-cost adsorbent for removing of Pb (II from water and wastewater.

  19. Phase II drugs currently being investigated for the treatment of hypogonadism.

    Science.gov (United States)

    Udedibia, Emeka; Kaminetsky, Jed

    2014-12-01

    Hypogonadism is the most common endocrine disorder, which affects men of all age groups. Recent shifts in public awareness, increased screening and recognition of symptoms and updated diagnostic criteria have led to an increase in men diagnosed as hypogonadal, including middle-aged and older men who previously would have been considered eugonadal. The increase in testosterone replacement therapy (TRT) has paralleled an increase in advancements of treatment options. Although current therapies are highly efficacious for many men, there remains a need for newer therapies that are more cost-effective, preserve ease of use and administration, mitigate undesirable effects and closely mimic physiological levels of testosterone. In this review, the authors discuss current TRTs and therapies in development for the treatment of hypogonadism. The focus is on therapies under Phase II investigation or those who have recently completed Phase II study. With several new therapies in development, the authors expect advancements in achieving treatment benchmarks that meet the needs of the individual symptomatic hypogonadal male. Increased public awareness of hypogonadism and TRT has led to a welcomed expansion in the choice of TRT options. These include new delivery systems, formulations, routes of administration and non-testosterone modalities.

  20. The use and abuse of attachment theory in clinical practice with maltreated children, part II: treatment.

    Science.gov (United States)

    Allen, Brian

    2011-01-01

    Recent years have witnessed a growing debate about the role of attachment theory in the treatment of maltreated children. Many professional organizations have issued statements against physically restraining children as some attachment therapists promote; however, often lost in these debates is the fundamental issue of what attachment theory and research proposes as the appropriate form of treatment. Given that these attachment therapies are often directed toward maltreated children, it becomes critical for clinicians working with abused and neglected children to understand these issues and recognize unethical and dangerous treatments. This article provides a summary of the theoretical and empirical bases for the use of attachment theory in the treatment of maltreated school-age children, an examination of the ways questionable approaches to treatment have misinterpreted and misapplied attachment theory, and a conceptualization of attachment-based intervention grounded in current theory and research.

  1. The evacuation of British children during World War II: a preliminary investigation into the long-term psychological effects.

    Science.gov (United States)

    Foster, D; Davies, S; Steele, H

    2003-09-01

    The authors used attachment theory to hypothesize about the possible long-term psychological effects of evacuation during World War II, focusing on children who were evacuated unaccompanied by their parents. The study aimed to establish whether this experience had long-term effects on psychological well-being, and to investigate mediating and moderating factors. The study utilized a retrospective non-randomized design, comparing 169 former evacuees with 43 people who were children during the war but not evacuated. No differences between the groups were found in terms of demographic variables or exposure to war-related events. All participants completed a range of standardized self-report questionnaires. Findings indicated that former evacuees were more likely to have insecure attachment styles and lower levels of present psychological well-being. Satisfaction with, but not quantity of, current social support was found to mediate the relationship between attachment style and present psychological well-being. Conclusions are limited due to the method of measurement of attachment style, non-randomized design and method of recruitment. Nevertheless, findings offer an indication that the experience of evacuation is associated with long-term psychological vulnerability through its relationship with insecure attachment.

  2. Final Phase II report : QuickSite(R) investigation, Everest, Kansas.

    Energy Technology Data Exchange (ETDEWEB)

    LaFreniere, L. M. (Environmental Research)

    2003-11-01

    this reason, the CCC/USDA is conducting an environmental site investigation to determine the source(s) and extent of the carbon tetrachloride contamination at Everest and to assess whether the contamination requires remedial action. The investigation at Everest is being performed by the Environmental Research Division of Argonne National Laboratory. Argonne is a nonprofit, multidisciplinary research center operated by the University of Chicago for the U.S. Department of Energy (DOE). The CCC/USDA has entered into an interagency agreement with DOE, under which Argonne provides technical assistance to the CCC/USDA with environmental site characterization and remediation at its former grain storage facilities. At these facilities, Argonne is applying its QuickSite{reg_sign} environmental site characterization methodology. This methodology has been applied successfully at a number of former CCC/USDA facilities in Kansas and Nebraska and has been adopted by the American Society for Testing and Materials (ASTM 1998) as standard practice for environmental site characterization. Phase I of the QuickSite{reg_sign} investigation examined the key geologic, hydrogeologic, and hydrogeochemical relationships that define potential contaminant migration pathways at Everest (Argonne 2001). Phase II of the QuickSite{reg_sign} investigation at Everest was undertaken with the primary goal of delineating and improving understanding of the distribution of carbon tetrachloride contamination in groundwater at this site and the potential source area(s) that might have contributed to this contamination. To address this goal, four specific technical objectives were developed to guide the Phase II field studies. Sampling of near-surface soils at the former Everest CCC/USDA facility that was originally planned for Phase I had to be postponed until October 2000 because of access restrictions. Viable vegetation was not available for sampling then. This period is termed the first session of Phase II

  3. Optical investigations and control of spindynamics in Mn doped II-VI quantum dots

    International Nuclear Information System (INIS)

    Schmidt, Thomas

    2009-01-01

    The present thesis deals with the spin of charge carriers confined in CdSe/ZnSe quantum dots (QDs) closely linked to the polarization of emitted photons. II-VI material systems can be adequately mixed with the B-group element manganese. Such semimagnetic nanostructures offer a number of characteristic optical and electronic features. This is caused by an exchange interaction between the spin of optically excited carriers and the 3d electrons of the Mn ions. Within the framework of this thesis addressing of well defined spin states was realized by optical excitation of charge carriers. The occupation of different spin states was detected by the degree of polarization of the emitted photoluminescence (PL) light. For that purpose different optical methods of time-resolved and time-integrated spectroscopy as well as investigations in magnetic fields were applied. (orig.)

  4. Non-destructive material investigation with thermal neutrons at the TRIGA Mark II reactor in Vienna

    International Nuclear Information System (INIS)

    Bastuerk, M.; Boeck, H.; Zamani, B.; Zawisky, M.; Rauch, H.

    2004-01-01

    Neutron tomography providing 3D information about interior of an object is a very efficient tool to visualize inner defects of the materials, non-destructively. In this study, some applications of neutron tomography in different fields such as geology, aerospace, civil engineering and archaeology were presented. Distribution of minerals in pumice and rock samples, visualization of inner defects within a new developed titan aluminum turbine blade, and distribution of silica gel as an important impregnating agent in construction and restoration of buildings were investigated. The measurements of tomography projections taken in the 0 to 180 o angle were performed with a thermal neutron flux of 10 5 at the TRIGA Mark II research reactor in Vienna, and the common filtered back projection method was used for the 3D image reconstruction. (author)

  5. Deliberate practice theory: perceived relevance, effort, and inherent enjoyment of music practice: study II.

    Science.gov (United States)

    Hyllegard, Randy; Bories, Tamara L

    2009-10-01

    This study, based on the theory of deliberate practice, examined the practice relevance, effort, and inherent enjoyment aspects of the theory. 25 college undergraduates practiced playing a melody on an electronic keyboard for three 20-min. practice sessions. Following each session, the perceived relevance of the practice for improving performance of the melody, the effort needed to learn the melody, and the inherent enjoyment of the practice were each rated on 10-point scales. Findings were consistent with theory and similar to previous studies also involving music practice and other tasks.

  6. Game theory: Parts I and II - with 88 solved exercises. An open access textbook

    OpenAIRE

    Bonanno, Giacomo

    2015-01-01

    This is a draft of the first half of an open access textbook on game theory. I hope to complete the entire book by the end of 2015. After teaching game theory (at both the undergraduate and graduate level) at the University of California, Davis for 25 years, I decided to organize all my teaching material in a textbook. There are many excellent textbooks in game theory and there is hardly any need for a new one. However, there are two distinguishing features of this textbook: (1) it is open ac...

  7. Constructive tensorial group field theory II: the {U(1)-T^4_4} model

    Science.gov (United States)

    Lahoche, Vincent

    2018-05-01

    In this paper, we continue our program of non-pertubative constructions of tensorial group field theories (TGFT). We prove analyticity and Borel summability in a suitable domain of the coupling constant of the simplest super-renormalizable TGFT which contains some ultraviolet divergencies, namely the color-symmetric quartic melonic rank-four model with Abelian gauge invariance, nicknamed . We use a multiscale loop vertex expansion. It is an extension of the loop vertex expansion (the basic constructive technique for non-local theories) which is required for theories that involve non-trivial renormalization.

  8. Experimental and density functional theory (DFT) studies on the interactions of Ru(II) polypyridyl complexes with the RAN triplex poly(U)˙poly(A)*poly(U).

    Science.gov (United States)

    Zhang, Hong; Liu, Xuewen; He, Xiaojun; Liu, Ying; Tan, Lifeng

    2014-11-01

    There is renewed interest in investigating triple helices because these novel structures have been implicated as a possible means of controlling cellular processes by endogenous or exogenous mechanisms. Due to the Hoogsteen base pairing, triple helices are, however, thermodynamically less stable than the corresponding duplexes. The poor stability of triple helices limits their practical applications under physiological conditions. In contrast to DNA triple helices, small molecules stabilizing RNA triple helices at present are less well established. Furthermore, most of these studies are limited to organic compounds and, to a far lesser extent, to metal complexes. In this work, two Ru(II) complexes, [Ru(bpy)2(btip)](2+) (Ru1) and [Ru(phen)2(btip)](2+) (Ru2), have been synthesized and characterized. The binding properties of the two metal complexes with the triple RNA poly(U)˙poly(A)*poly(U) were studied by various biophysical and density functional theory methods. The main results obtained here suggest that the slight binding difference in Ru1 and Ru2 may be attributed to the planarity of the intercalative ligand and the LUMO level of Ru(II) complexes. This study further advances our knowledge on the triplex RNA-binding by metal complexes, particularly Ru(II) complexes.

  9. Analysis of metal-matrix composite structures. I - Micromechanics constitutive theory. II - Laminate analyses

    Science.gov (United States)

    Arenburg, R. T.; Reddy, J. N.

    1991-01-01

    The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.

  10. Synthesis, structural, photoluminescence, vibrational and DFT investigation of the bis (4-aminopyridinium) tetrachloridocuprate(II) monohydrate

    International Nuclear Information System (INIS)

    Kessentini, A.; Belhouchet, M.; Suñol, J.J.; Abid, Y.; Mhiri, T.

    2014-01-01

    The crystals of the family of alkylammonuim tetrachloridocuprate (II), (C 5 H 7 N 2 ) 2 CuCl 4 H 2 O, have been grown, structurally characterized and their vibrational as well as optical properties been studied. A preliminary single crystal X-ray diffraction structural analysis has revealed that the title compound belongs to the monoclinic system with space group C2/c. Its unit cell dimensions are: a=8.454 (2) Å, b=14.279 (2) Å, c=14.363 (3) Å, β=95.813 (4)°, with Z=4 and its crystal structure was determined and refined down to R 1 =0.029 and wR 2 =0.080. The crystal lattice is composed of discrete [CuCl 4 ] 2− tetrahedra surrounded by 4-aminopyridinium cations and water molecules which are interconnected by means of hydrogen bonding contacts [N–H…Cl, O–H…Cl and N–H…O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed. The optimized molecular structure and the vibrational spectra were calculated by the density functional theory (DFT) method using the B3LYP function. The organic–inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C 5 H 7 N 2 ) 2 CuCl 4 H 2 O perovskite and it showed characteristic absorptions of CuCl-based layered perovskite centered at 288 and 400 nm, as well as the photoluminescence peak at around 443 nm. The unaided-eye-detectable blue luminescence emission comes from the excitonic transition in the CuCl 4 anions. - Highlights: • A new hybrid compound (C 5 H 7 N 2 ) 2 CuCl 4 H 2 O was synthesized. • Vibrational properties were studied by IR and Raman spectroscopy and examined theoretically using the DFT/B3LYP/LanL2DZ level of theory. • The UV–vis spectrum shows two absorption peaks at 288 and at 400 nm. • This compound show a strong blue emission at 443 nm

  11. Synthesis, structural, photoluminescence, vibrational and DFT investigation of the bis (4-aminopyridinium) tetrachloridocuprate(II) monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Kessentini, A., E-mail: kessentiniabir@gmail.com [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Belhouchet, M. [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Suñol, J.J. [Departamento De Fisica, Universita de Girona, Compus Montilivi, Girona 17071 (Spain); Abid, Y. [Laboratoire de Physique appliquée, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia); Mhiri, T. [Laboratoire Physico-Chimie de l’Etat Solide, Département de Chimie, Faculté des Sciences de Sfax, Université de Sfax, B. P. 1171, 3000 Sfax (Tunisia)

    2014-05-01

    The crystals of the family of alkylammonuim tetrachloridocuprate (II), (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O, have been grown, structurally characterized and their vibrational as well as optical properties been studied. A preliminary single crystal X-ray diffraction structural analysis has revealed that the title compound belongs to the monoclinic system with space group C2/c. Its unit cell dimensions are: a=8.454 (2) Å, b=14.279 (2) Å, c=14.363 (3) Å, β=95.813 (4)°, with Z=4 and its crystal structure was determined and refined down to R{sub 1}=0.029 and wR{sub 2}=0.080. The crystal lattice is composed of discrete [CuCl{sub 4}]{sup 2−} tetrahedra surrounded by 4-aminopyridinium cations and water molecules which are interconnected by means of hydrogen bonding contacts [N–H…Cl, O–H…Cl and N–H…O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed. The optimized molecular structure and the vibrational spectra were calculated by the density functional theory (DFT) method using the B3LYP function. The organic–inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O perovskite and it showed characteristic absorptions of CuCl-based layered perovskite centered at 288 and 400 nm, as well as the photoluminescence peak at around 443 nm. The unaided-eye-detectable blue luminescence emission comes from the excitonic transition in the CuCl{sub 4} anions. - Highlights: • A new hybrid compound (C{sub 5}H{sub 7}N{sub 2}){sub 2}CuCl{sub 4}H{sub 2}O was synthesized. • Vibrational properties were studied by IR and Raman spectroscopy and examined theoretically using the DFT/B3LYP/LanL2DZ level of theory. • The UV–vis spectrum shows two absorption peaks at 288 and at 400 nm. • This compound show a strong blue emission at 443 nm.

  12. Adler's theorem in finite massless QED and possible extensions to non- Abelian gauge theories II

    CERN Document Server

    Bernstein, J

    1975-01-01

    For pt.I see ibid., vol.B95, p.461 (1975). The indefinite metric produced by the ghost fields in the Coulomb gauge in Yang-Mills theories is discussed. It is shown that the ghosts greatly complicate the job of proving, or disproving, an Adler theorem in this gauge. An old result of Schwinger (1962) for Coulomb gauge Yang-Mills theories is also found to be compromised by ghosts. (7 refs).

  13. Game Theory Paradigm: A New Tool for Investigating Social Dysfunction in Major Depressive Disorders.

    Science.gov (United States)

    Wang, Yun; Yang, Liu-Qing; Li, Shu; Zhou, Yuan

    2015-01-01

    Social dysfunction is a prominent source of distress and disability in patients with major depressive disorder (MDD) but is commonly omitted from current clinical studies, although some researchers propose an evolutionary strategy to understand these negative outcomes. Limited knowledge about the neural basis of social dysfunction in MDD results from traditional paradigms, which lack insights into social interactions. Game theoretical modeling offers a new tool for investigating social-interaction impairments in neuropsychiatric disorders. This review first introduces three widely used games from game theory and the major behavioral and neuroimaging findings obtained using these games in healthy populations. We also address the factors that modulate behaviors in games and their neural bases. We then summarize the current findings obtained by using these games in depressed patients and discuss the clinical implications of these abnormal game behaviors. Finally, we briefly discuss future prospects that may further elucidate the clinical use of a game theory paradigm in MDD.

  14. Investigation of mosaicity of epitaxic multilayers by the statistical theory of X-ray dynamical diffraction

    International Nuclear Information System (INIS)

    Li Ming; Mai Zhenhong; Li Jianhua; Li Chaorong; Cui Shufan

    1995-01-01

    Based on the statistical theory of X-ray dynamical diffraction for thin films, the mosaicity of three types of semiconductor epitaxic layers has been investigated by analyzing their rocking curves by the X-ray double-crystal diffraction method. It is shown that the statistical theory can provide quantitative information on the mosaicity of the epitaxic layers such as the mean size and the mean disorientation of mosaic blocks in the layers. Some misunderstandings in interpreting experimental data are cleared up by taking into account the effect of diffuse scattering. It is emphasized that attempts to obtain structural parameters of specimens from their rocking curves by means of the Takagi-Taupin equations for coherent fields only are not strictly correct since diffuse scattering causes additional changes in the tails of the rocking curves. (orig.)

  15. Psychosomatic symptoms in medical outpatients: an investigation of self-handicapping theory.

    Science.gov (United States)

    Organista, P B; Miranda, J

    1991-01-01

    Investigated self-handicapping theory as it relates to somatization in medical patients. We predicted that medical outpatients (N = 113) would report psychosomatic symptoms in response to events that threaten their self-esteem. As predicted, results of hierarchical multiple regression indicated that high-perfectionism patients reported somatic symptoms positively related to the number of events that jeopardize their sense of accomplishment, whereas low-perfectionism patients' somatic symptoms were not related to these events (p = .005). Contrary to prediction, high-dependency patients did not differ significantly from low-dependency patients in the relationship of somatic symptoms and events that threatened their interpersonal relationships (p = .115). Implications of these findings and the utility of self-handicapping theory for predicting somatization in medical patients are discussed.

  16. Game theory paradigm: a new tool for investigating social dysfunction in major depressive disorders

    Directory of Open Access Journals (Sweden)

    Yun eWang

    2015-09-01

    Full Text Available Social dysfunction is a prominent source of distress and disability in patients with major depressive disorder (MDD but is commonly omitted from current clinical studies, although some researchers propose an evolutionary strategy to understand these negative outcomes. Limited knowledge about the neural basis of social dysfunction in MDD results from traditional paradigms, which lack insights into social interactions. Game theoretical modelling offers a new tool for investigating social interaction impairments in neuropsychiatric disorders. This review first introduces three widely-used games from game theory and the major behavioral and neuroimaging findings obtained using these games in healthy populations. We also address the factors that modulate behaviors in games and their neural bases. We then summarize the current findings obtained by using these games in depressed patients and discuss the clinical implications of these abnormal game behaviors. Finally, we briefly discuss future prospects that may further elucidate the clinical use of a game theory paradigm in MDD.

  17. Game Theory Paradigm: A New Tool for Investigating Social Dysfunction in Major Depressive Disorders

    Science.gov (United States)

    Wang, Yun; Yang, Liu-Qing; Li, Shu; Zhou, Yuan

    2015-01-01

    Social dysfunction is a prominent source of distress and disability in patients with major depressive disorder (MDD) but is commonly omitted from current clinical studies, although some researchers propose an evolutionary strategy to understand these negative outcomes. Limited knowledge about the neural basis of social dysfunction in MDD results from traditional paradigms, which lack insights into social interactions. Game theoretical modeling offers a new tool for investigating social-interaction impairments in neuropsychiatric disorders. This review first introduces three widely used games from game theory and the major behavioral and neuroimaging findings obtained using these games in healthy populations. We also address the factors that modulate behaviors in games and their neural bases. We then summarize the current findings obtained by using these games in depressed patients and discuss the clinical implications of these abnormal game behaviors. Finally, we briefly discuss future prospects that may further elucidate the clinical use of a game theory paradigm in MDD. PMID:26441689

  18. Partially massless higher-spin theory II: one-loop effective actions

    Energy Technology Data Exchange (ETDEWEB)

    Brust, Christopher [Perimeter Institute for Theoretical Physics,31 Caroline St. N, Waterloo, Ontario, N2L 2Y5 (Canada); Hinterbichler, Kurt [CERCA, Department of Physics, Case Western Reserve University,10900 Euclid Ave, Cleveland, OH, 44106 (United States)

    2017-01-30

    We continue our study of a generalization of the D-dimensional linearized Vasiliev higher-spin equations to include a tower of partially massless (PM) fields. We compute one-loop effective actions by evaluating zeta functions for both the “minimal” and “non-minimal” parity-even versions of the theory. Specifically, we compute the log-divergent part of the effective action in odd-dimensional Euclidean AdS spaces for D=7 through 19 (dual to the a-type conformal anomaly of the dual boundary theory), and the finite part of the effective action in even-dimensional Euclidean AdS spaces for D=4 through 8 (dual to the free energy on a sphere of the dual boundary theory). We pay special attention to the case D=4, where module mixings occur in the dual field theory and subtlety arises in the one-loop computation. The results provide evidence that the theory is UV complete and one-loop exact, and we conjecture and provide evidence for a map between the inverse Newton’s constant of the partially massless higher-spin theory and the number of colors in the dual CFT.

  19. Partially massless higher-spin theory II: one-loop effective actions

    International Nuclear Information System (INIS)

    Brust, Christopher; Hinterbichler, Kurt

    2017-01-01

    We continue our study of a generalization of the D-dimensional linearized Vasiliev higher-spin equations to include a tower of partially massless (PM) fields. We compute one-loop effective actions by evaluating zeta functions for both the “minimal” and “non-minimal” parity-even versions of the theory. Specifically, we compute the log-divergent part of the effective action in odd-dimensional Euclidean AdS spaces for D=7 through 19 (dual to the a-type conformal anomaly of the dual boundary theory), and the finite part of the effective action in even-dimensional Euclidean AdS spaces for D=4 through 8 (dual to the free energy on a sphere of the dual boundary theory). We pay special attention to the case D=4, where module mixings occur in the dual field theory and subtlety arises in the one-loop computation. The results provide evidence that the theory is UV complete and one-loop exact, and we conjecture and provide evidence for a map between the inverse Newton’s constant of the partially massless higher-spin theory and the number of colors in the dual CFT.

  20. Theoretical investigation of cyromazine tautomerism using density functional theory and Møller–Plesset perturbation theory methods

    Science.gov (United States)

    A computational chemistry analysis of six unique tautomers of cyromazine, a pesticide used for fly control, was performed with density functional theory (DFT) and canonical second order Møller–Plesset perturbation theory (MP2) methods to gain insight into the contributions of molecular structure to ...

  1. Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation

    Directory of Open Access Journals (Sweden)

    Prabowo Wahyu Aji Eko

    2018-01-01

    Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.

  2. Removal of industrial dyes and heavy metals by Beauveria bassiana: FTIR, SEM, TEM and AFM investigations with Pb(II).

    Science.gov (United States)

    Gola, Deepak; Malik, Anushree; Namburath, Maneesh; Ahammad, Shaikh Ziauddin

    2017-10-01

    Presence of industrial dyes and heavy metal as a contaminant in environment poses a great risk to human health. In order to develop a potential technology for remediation of dyes (Reactive remazol red, Yellow 3RS, Indanthrene blue and Vat novatic grey) and heavy metal [Cu(II), Ni(II), Cd(II), Zn(II), Cr(VI) and Pb(II)] contamination, present study was performed with entomopathogenic fungi, Beauveria bassiana (MTCC no. 4580). High dye removal (88-97%) was observed during the growth of B. bassiana while removal percentage for heavy metals ranged from 58 to 75%. Further, detailed investigations were performed with Pb(II) in terms of growth kinetics, effect of process parameters and mechanism of removal. Growth rate decreased from 0.118 h -1 (control) to 0.031 h -1 , showing 28% reduction in biomass at 30 mg L -1 Pb(II) with 58.4% metal removal. Maximum Pb(II) removal was observed at 30 °C, neutral pH and 30 mg L -1 initial metal concentration. FTIR analysis indicated the changes induced by Pb(II) in functional groups on biomass surface. Further, microscopic analysis (SEM and atomic force microscopy (AFM)) was performed to understand the changes in cell surface morphology of the fungal cell. SEM micrograph showed a clear deformation of fungal hyphae, whereas AFM studies proved the increase in surface roughness (RSM) in comparison to control cell. Homogenous bioaccumulation of Pb(II) inside the fungal cell was clearly depicted by TEM-high-angle annular dark field coupled with EDX. Present study provides an insight into the mechanism of Pb(II) bioremediation and strengthens the significance of using entomopathogenic fungus such as B. bassiana for metal and dye removal.

  3. Kinetics, equilibrium, and thermodynamics investigation on the adsorption of lead(II) by coal-based activated carbon.

    Science.gov (United States)

    Yi, Zhengji; Yao, Jun; Zhu, Mijia; Chen, Huilun; Wang, Fei; Liu, Xing

    2016-01-01

    The goal of this research is to investigate the feasibility of using activated coal-based activated carbon (CBAC) to adsorb Pb(II) from aqueous solutions through batch tests. Effects of contact time, pH, temperature and initial Pb(II) concentration on the Pb(II) adsorption were examined. The Pb(II) adsorption is strongly dependent on pH, but insensitive to temperature. The best pH for Pb(II) removal is in the range of 5.0-5.5 with more than 90 % of Pb(II) removed. The equilibrium time was found to be 60 min and the adsorption data followed the pseudo-second-order kinetics. Isotherm data followed Langmuir isotherm model with a maximum adsorption capacity of 162.33 mg/g. The adsorption was exothermic and spontaneous in nature. The Fourier transform infrared spectroscopy and scanning electron microscopy analysis suggested that CBAC possessed a porous structure and was rich in carboxyl and hydroxyl groups on its surface, which might play a major role in Pb(II) adsorption. These findings indicated that CBAC has great potential as an alternative adsorbent for Pb(II) removal.

  4. Investigation of the metal binding site in methionine aminopeptidase by density functional theory

    DEFF Research Database (Denmark)

    Jørgensen, Anne Techau; Norrby, Per-Ola; Liljefors, Tommy

    2002-01-01

    All methionine aminopeptidases exhibit the same conserved metal binding site. The structure of this site with either Co2+ ions or Zn2+ ions was investigated using density functional theory. The calculations showed that the structure of the site was not influenced by the identity of the metal ions....... This was the case for both of the systems studied; one based on the X-ray structure of the human methionine aminopeptidase type 2 (hMetAP-2) and the other based on the X-ray structure of the E. coli methionine aminopeptidase type 1 (eMetAP-1). Another important structural issue is the identity of the bridging...

  5. A density functional theory-based investigation of adhesion of poly(butylene terephthalate) on aluminum

    International Nuclear Information System (INIS)

    David, Melanie; Roman, Tanglaw; Nakanishi, Hiroshi; Kasai, Hideaki; Ando, Naoki; Naritomi, Masanori

    2006-01-01

    We investigate the adhesion of PBT on aluminum using density functional theory-based calculations. The geometric structure of the PBT monomer is first relaxed then an aluminum atom is connected to the monomer in different orientations. We calculate their total energies and determine the orientation that gives the strongest binding between the monomer and the aluminum atom. Binding is strongest when the Al connects linearly with the carbonyl oxygen in the ester group. We present binding mechanisms and total energy relationships for the different orientations

  6. Transition operators in electromagnetic-wave diffraction theory. II - Applications to optics

    Science.gov (United States)

    Hahne, G. E.

    1993-01-01

    The theory developed by Hahne (1992) for the diffraction of time-harmonic electromagnetic waves from fixed obstacles is briefly summarized and extended. Applications of the theory are considered which comprise, first, a spherical harmonic expansion of the so-called radiation impedance operator in the theory, for a spherical surface, and second, a reconsideration of familiar short-wavelength approximation from the new standpoint, including a derivation of the so-called physical optics method on the basis of quasi-planar approximation to the radiation impedance operator, augmented by the method of stationary phase. The latter includes a rederivation of the geometrical optics approximation for the complete Green's function for the electromagnetic field in the presence of a smooth- and a convex-surfaced perfectly electrically conductive obstacle.

  7. Horonobe Underground Research Laboratory project. Synthesis of phase II (construction phase) investigations to a depth of 350 m

    International Nuclear Information System (INIS)

    Sato, Toshinori; Sasamoto, Hiroshi; Ishii, Eiichi; Matsuoka, Toshiyuki; Hayano, Akira; Miyakawa, Kazuya; Fujita, Tomoo; Tanai, Kenji; Nakayama, Masashi; Takeda, Masaki; Yokota, Hideharu; Aoyagi, Kazuhei; Ohno, Hirokazu; Shigeta, Naotaka; Hanamuro, Takahiro; Ito, Hiroaki

    2017-03-01

    The Horonobe Underground Research Laboratory (URL) Project is being pursued by the Japan Atomic Energy Agency (JAEA) to enhance the reliability of relevant disposal technologies through investigations of the deep geological environment within the host sedimentary formations at Horonobe, northern Hokkaido. The project consists of two major research areas, 'Geoscientific Research' and 'R and D on Geological Disposal', and proceeds in three overlapping phases, 'Phase I: Surface-based investigation', 'Phase II: Construction' and 'Phase III: Operation', over a period of 20 years. This report summarizes the results of the Phase II investigations carried out from April 2005 to June 2014 to a depth of 350 m. Integration of work from different disciplines into a 'geosynthesis' ensures that the Phase II goals have been successfully achieved and identifies key issues that need to be addressed in the Phase II investigations. Efforts are made to summarize as many lessons learnt from the Phase II investigations and other technical achievements as possible to form a 'knowledge base' that will reinforce the technical basis for both implementation and the formulation of safety regulations. (author)

  8. Quantum field theory II: quantum electrodynamics. A bridge between mathematicians and physicists

    International Nuclear Information System (INIS)

    Zeidler, Eberhard

    2009-01-01

    This is the second volume of a modern introduction to quantum field theory which addresses both mathematicians and physicists ranging from advanced undergraduate students to professional scientists. This book seeks to bridge the existing gap between the different languages used by mathematicians and physicists. For students of mathematics it is shown that detailed knowledge of the physical background helps to discover interesting interrelationships between quite diverse mathematical topics. For students of physics fairly advanced mathematics, beyond that included in the usual curriculum in physics, is presented. The present volume concerns a detailed study of the mathematical and physical aspects of the quantum theory of light. (orig.)

  9. Quantum field theory II: quantum electrodynamics. A bridge between mathematicians and physicists

    Energy Technology Data Exchange (ETDEWEB)

    Zeidler, Eberhard [Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany)

    2009-07-01

    This is the second volume of a modern introduction to quantum field theory which addresses both mathematicians and physicists ranging from advanced undergraduate students to professional scientists. This book seeks to bridge the existing gap between the different languages used by mathematicians and physicists. For students of mathematics it is shown that detailed knowledge of the physical background helps to discover interesting interrelationships between quite diverse mathematical topics. For students of physics fairly advanced mathematics, beyond that included in the usual curriculum in physics, is presented. The present volume concerns a detailed study of the mathematical and physical aspects of the quantum theory of light. (orig.)

  10. Handbook of Game Theory and Industrial Organization, Volume II: Applications. An Introduction

    OpenAIRE

    Corchon, Luis; Marini, Marco A.

    2017-01-01

    We introduce here the second volume of the Handbook of Game Theory and Industrial Organization, by L. C. Corchón and M. A. Marini (ed.), Edward Elgar, Cheltenam, UK and Northampton, MA, describing its main aim and its basic structure.

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

    Science.gov (United States)

    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.

  12. Impaired Theory of Mind and psychosocial functioning among pediatric patients with Type I versus Type II bipolar disorder.

    Science.gov (United States)

    Schenkel, Lindsay S; Chamberlain, Todd F; Towne, Terra L

    2014-03-30

    Deficits in Theory of Mind (ToM) have been documented among pediatric patients with Bipolar Disorder (BD). However, fewer studies have directly examined differences between type I and type II patients and whether or not ToM deficits are related to psychosocial difficulties. Therefore, the aim of this study was to compare type I versus type II pediatric bipolar patients and matched Healthy Controls (HC) on ToM and interpersonal functioning tasks. All participants completed the Revised Mind in the Eyes Task (MET), the Cognitive and Emotional Perspective Taking Task (CEPTT), and the Index of Peer Relations (IPR). Type I BD patients reported greater peer difficulties on the IPR compared to HC, and also performed more poorly on the MET and the cognitive condition of the CEPTT, but did not differ significantly on the emotional condition. There were no significant group differences between type II BD patients and HC. More impaired ToM performance was associated with poorer interpersonal functioning. Type I BD patients show deficits in the ability to understand another's mental state, irrespective of emotional valence. Deficits in understanding others' mental states could be an important treatment target for type I pediatric patients with BD. © 2013 Elsevier Ireland Ltd. All rights reserved.

  13. Lattice density functional theory investigation of pore shape effects. I. Adsorption in single nonperiodic pores.

    Science.gov (United States)

    Malanoski, A P; van Swol, Frank

    2002-10-01

    A fully explicit in three dimensions lattice density functional theory is used to investigate adsorption in single nonperiodic pores. The effect of varying pore shape from the slits and cylinders that are normally simulated was our primary interest. A secondary concern was the results for pores with very large diameters. The shapes investigated were square pores with or without surface roughness, cylinders, right triangle pores, and trapezoidal pores. It was found that pores with very similar shape factors gave similar results but that the introduction of acute angled corners or very large side ratio lengths in rectangular pores gave results that were significantly different. Further, a rectangular pore going towards the limit of infinite side ratio does not approach the results of a slit pore. In all of these cases, the importance of features that are present for only a small portion of the pore is demonstrated.

  14. Organic derivatives of tin (II/IV): Investigation of their structure

    Energy Technology Data Exchange (ETDEWEB)

    Szirtes, L., E-mail: szirtes@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Megyeri, J., E-mail: megyeri@iki.kfki.h [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary); Kuzmann, E. [Laboratory of Nuclear Chemistry, CRC of the Hungarian Academy of Science at Eoetvoes University, H-1518 Budapest, P.O. Box 32 (Hungary); Beck, A. [Institute of Isotopes of the Hungarian Academy of Sciences, Budapest H-1525, P.O. Box 77 (Hungary)

    2011-07-15

    The structures of tin(II)-oxalate, tin(IV)Na-EDTA and tin(IV)Na{sub 8}-inositol hexaphosphate were investigated using XRD analysis. Samples were identified using the Moessbauer study, thermal analysis and FTIR spectrometry. The Moessbauer study determined two different oxidation states of tin atoms, and consequently two different tin surroundings in the end products. The tin oxalate was found to be orthorhombic with space group Pnma, a=9.2066(3) A, b=9.7590(1) A, c=13.1848(5) A, V=1184.62 A{sup 3} and Z=8. SnNa-EDTA was found to be monoclinic with space group P2{sub 1}/c{sub 1}, a=10.7544(3) A, b=10.1455(3) A, c=16.5130(6) A, {beta}=98.59(2){sup o}, V=1781.50(4) A{sup 3} and Z=4. Sn(C{sub 6}H{sub 6}Na{sub 8}O{sub 24}P{sub 6}) was found to be amorphous.

  15. Phase II drugs under clinical investigation for the treatment of chronic constipation.

    Science.gov (United States)

    Mozaffari, Shilan; Didari, Tina; Nikfar, Shekoufeh; Abdollahi, Mohammad

    2014-11-01

    Chronic constipation (CC) is a common gastrointestinal (GI) motility disorder that significantly impairs the quality of life in affected subjects. As almost half of the patients suffering from CC are not satisfied with currently available medicines, there is a need to develop new molecules with better effectiveness and tolerability. The authors include all experimental and clinical trials (up to Phase II) about new investigational drugs for the treatment of CC. The article identifies nine new agents: mitemcinal, TD-8954, YKP10811, itopride, RM-131, KWA-0711, elobixibat, velusetrag, and naronapride. All nine agents have shown prokinetic effects in different stages of the development. The mechanisms of new developing drugs include: the activation of 5-hydroxytryptamine type-4 (5-HT4), ghrelin and motilin receptors, antagonizing dopamine type-2 (D2) receptors, inhibition of ileal bile acid reabsorption and acetylcholine esterase, as well as water absorption from the GI tract. At this current point in time, new generations of 5-HT4 receptor agonists (velusetrag, noranopride and YKP10811) are hoped to progress, further in the future, due to better efficiency and safety. However, it is not possible to make a concise conclusion at this current time due to a lack of evidence. Further clinical trials with a longer duration and a larger sample size are warranted.

  16. Investigation of mixed mode - I/II fracture problems - Part 1: computational and experimental analyses

    Directory of Open Access Journals (Sweden)

    O. Demir

    2016-01-01

    Full Text Available In this study, to investigate and understand the nature of fracture behavior properly under in-plane mixed mode (Mode-I/II loading, three-dimensional fracture analyses and experiments of compact tension shear (CTS specimen are performed under different mixed mode loading conditions. Al 7075-T651 aluminum machined from rolled plates in the L-T rolling direction (crack plane is perpendicular to the rolling direction is used in this study. Results from finite element analyses and fracture loads, crack deflection angles obtained from the experiments are presented. To simulate the real conditions in the experiments, contacts are defined between the contact surfaces of the loading devices, specimen and loading pins. Modeling, meshing and the solution of the problem involving the whole assembly, i.e., loading devices, pins and the specimen, with contact mechanics are performed using ANSYSTM. Then, CTS specimen is analyzed separately using a submodeling approach, in which three-dimensional enriched finite elements are used in FRAC3D solver to calculate the resulting stress intensity factors along the crack front. Having performed the detailed computational and experimental studies on the CTS specimen, a new specimen type together with its loading device is also proposed that has smaller dimensions compared to the regular CTS specimen. Experimental results for the new specimen are also presented.

  17. Preliminary investigations of a mixed standard-flip core for a TRIGA Mark II

    International Nuclear Information System (INIS)

    Ringle, John C.; Johnson, A.G.; Anderson, T.V.

    1974-01-01

    Several years ago it became apparent that due to our rapidly- increasing use rate, we would need a substantial amount of new fuel by late 1974 or early 1975. After investigations and discussions with GA, we decided that FLIP fuel would best meet our requirements for maximum fuel economy and high peak pulsing power. A proposal was submitted to the AEC for fuel assistance, and late in 1973 we were awarded a grant of $61,875. This will allow us to buy 3 FLIP-fueled-follower control rods, 1 instrumented FLIP fuel element, and 26 standard FLIP elements, giving us then a mixed core of approximately one-third FLIP and two-thirds standard elements. License amendments to accommodate this change are rather straightforward; modifications to the Technical Specifications will be somewhat more involved. The largest revisions which we envision are to our Safety Analysis Report. Although a few reactors have operated with a full FLIP core, and a few others have converted to mixed standard-FLIP cores, none of these has a standard Mark II core configuration. Those who have already converted to a mixed core have data and calculations which may be helpful to us, but the extent to which we can use these remains to be seen. The present status of our investigations into the analysis of a mixed standard-FLIP core will be presented. Any problems in calculational methods, finding appropriate data, modifications to Technical Specifications, etc., will be identified, and suggestions and help in these areas will be welcomed. (author)

  18. Preliminary investigations of a mixed standard-flip core for a TRIGA Mark II

    Energy Technology Data Exchange (ETDEWEB)

    Ringle, John C; Johnson, A G; Anderson, T V [Oregon State University (United States)

    1974-07-01

    Several years ago it became apparent that due to our rapidly- increasing use rate, we would need a substantial amount of new fuel by late 1974 or early 1975. After investigations and discussions with GA, we decided that FLIP fuel would best meet our requirements for maximum fuel economy and high peak pulsing power. A proposal was submitted to the AEC for fuel assistance, and late in 1973 we were awarded a grant of $61,875. This will allow us to buy 3 FLIP-fueled-follower control rods, 1 instrumented FLIP fuel element, and 26 standard FLIP elements, giving us then a mixed core of approximately one-third FLIP and two-thirds standard elements. License amendments to accommodate this change are rather straightforward; modifications to the Technical Specifications will be somewhat more involved. The largest revisions which we envision are to our Safety Analysis Report. Although a few reactors have operated with a full FLIP core, and a few others have converted to mixed standard-FLIP cores, none of these has a standard Mark II core configuration. Those who have already converted to a mixed core have data and calculations which may be helpful to us, but the extent to which we can use these remains to be seen. The present status of our investigations into the analysis of a mixed standard-FLIP core will be presented. Any problems in calculational methods, finding appropriate data, modifications to Technical Specifications, etc., will be identified, and suggestions and help in these areas will be welcomed. (author)

  19. Partial differential equations II elements of the modern theory equations with constant coefficients

    CERN Document Server

    Shubin, M

    1994-01-01

    This book, the first printing of which was published as Volume 31 of the Encyclopaedia of Mathematical Sciences, contains a survey of the modern theory of general linear partial differential equations and a detailed review of equations with constant coefficients. Readers will be interested in an introduction to microlocal analysis and its applications including singular integral operators, pseudodifferential operators, Fourier integral operators and wavefronts, a survey of the most important results about the mixed problem for hyperbolic equations, a review of asymptotic methods including short wave asymptotics, the Maslov canonical operator and spectral asymptotics, a detailed description of the applications of distribution theory to partial differential equations with constant coefficients including numerous interesting special topics.

  20. Women in numbers Europe II contributions to number theory and arithmetic geometry

    CERN Document Server

    Ozman, Ekin; Johnson-Leung, Jennifer; Newton, Rachel

    2018-01-01

    Inspired by the September 2016 conference of the same name, this second volume highlights recent research in a wide range of topics in contemporary number theory and arithmetic geometry. Research reports from projects started at the conference, expository papers describing ongoing research, and contributed papers from women number theorists outside the conference make up this diverse volume. Topics cover a broad range of topics such as arithmetic dynamics, failure of local-global principles, geometry in positive characteristics, and heights of algebraic integers. The use of tools from algebra, analysis and geometry, as well as computational methods exemplifies the wealth of techniques available to modern researchers in number theory. Exploring connections between different branches of mathematics and combining different points of view, these papers continue the tradition of supporting and highlighting the contributions of women number theorists at a variety of career stages. Perfect for students and researche...

  1. Entanglement entropy in integrable field theories with line defects II. Non-topological defect

    Science.gov (United States)

    Jiang, Yunfeng

    2017-08-01

    This is the second part of two papers where we study the effect of integrable line defects on bipartite entanglement entropy in integrable field theories. In this paper, we consider non-topological line defects in Ising field theory. We derive an infinite series expression for the entanglement entropy and show that both the UV and IR limits of the bulk entanglement entropy are modified by the line defect. In the UV limit, we give an infinite series expression for the coefficient in front of the logarithmic divergence and the exact defect g-function. By tuning the defect to be purely transmissive and reflective, we recover correctly the entanglement entropy of the bulk and with integrable boundary respectively.

  2. The group theory of oxidation II: cosets of non-split groups

    International Nuclear Information System (INIS)

    Keurentjes, Arjan

    2003-01-01

    The oxidation program given in the first article of this series (see preceding article in this issue) is extended to cover oxidation of 3d sigma model theories on a coset G/H, with G non-compact (but not necessarily split), and H the maximal compact subgroup. We recover the matter content, the equations of motion and Bianchi identities from group lattice and Cartan involution. Satake diagrams provide an elegant tool for the computations, the maximal oxidation dimension, and group disintegration chains can be directly read off. We give a complete list of theories that can be recovered from oxidation of a 3-dimensional coset sigma model on G/H, where G is a simple non-compact group

  3. Intelligent control-II: review of fuzzy systems and theory of approximate reasoning

    International Nuclear Information System (INIS)

    Nagrial, M.H.

    2004-01-01

    Fuzzy systems are knowledge-based or rule-based systems. The heart of a fuzzy systems knowledge base consisting of the so-called fuzzy IF -THEN rules. This paper reviews various aspects of fuzzy IF-THEN rules. The theory of approximate reasoning, which provides a powerful framework for reasoning the imprecise and uncertain information, , is also reviewed. Additional properties of fuzzy systems are also discussed. (author)

  4. Learning, Action and Solutions in Action Learning: Investigation of Facilitation Practice Using the Concept of Living Theories

    Science.gov (United States)

    Sanyal, Chandana

    2018-01-01

    This paper explores the practice of action learning (AL) facilitation in supporting AL set members to address their 'messy' problems through a self-reflexive approach using the concept of 'living theory' [Whitehead, J., and J. McNiff. 2006. "Action Research Living Theory." London: Sage]. The facilitation practice is investigated through…

  5. Investigating the Learning-Theory Foundations of Game-Based Learning: A Meta-Analysis

    Science.gov (United States)

    Wu, W-H.; Hsiao, H-C.; Wu, P-L.; Lin, C-H.; Huang, S-H.

    2012-01-01

    Past studies on the issue of learning-theory foundations in game-based learning stressed the importance of establishing learning-theory foundation and provided an exploratory examination of established learning theories. However, we found research seldom addressed the development of the use or failure to use learning-theory foundations and…

  6. Dynamic investigation of DNA bending and wrapping by type II topoisomerases

    Science.gov (United States)

    Shao, Qing; Finzi, Laura; Dunlap, David

    2009-11-01

    Type II topoisomerases catalyze DNA decatenation and unwinding which is crucial for cell division, and therefore type II topoisomerases are some of the main targets of anti-cancer drugs. A recent crystal structure shows that, during the catalytic cycle, a yeast type II topoimerase can bend a 10 base pair DNA segment by up to 150 degrees. Bacterial gyrase, another type II topoisomerase, can wrap DNA into a tight 180 degree turn. Bending a stiff polymer like DNA requires considerable energy and could represent the rate limiting step in the catalytic (topological) cycle. Using modified deoxyribonucleotides in PCR reactions, stiffer DNA fragments have been produced and used as substrates for topoisomerase II-mediated relaxation of plectonemes introduced in single molecules using magnetic tweezers. The wrapping ability of gyrase decreases for diamino-purine-substituted DNA in which every base pair has three hydrogen-bonds. The overall rate of relaxation of plectonemes by recombinant human topoisomerase II alpha also decreases. These results reveal the dynamic properties of DNA bending and wrapping by type II topisomerases and suggest that A:T base pair melting is a rate determining step for bending and wrapping.

  7. Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Min [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Jin, Ying, E-mail: yjin@ustb.edu.cn [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Chuanhui [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); Leygraf, Christofer [Division of Surface and Corrosion Science, Department of Chemistry, KTH Royal Institute of Technology, SE-10044 Stockholm (Sweden); Wen, Lei [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China)

    2015-12-01

    Highlights: • Cl{sup −} led to the elongation of Al−O bond and the weakened binding between Al layers in scenario i. • Al−O interaction weakened whereas an intensive hybridization peak at −0.18 Ha between Al-3p with Cl-3p showed in scenario ii. • Substructures such as AlCl{sub 3} and Al{sub 2}Cl{sub 5} formed in scenario iii when the Cl{sup −} coverage was larger than 2/3 ML of a monolayer. - Abstract: The behavior of chloride ions (Cl{sup −}) and oxygen species (the oxygen atom, O or molecular oxygen, O{sub 2}) on Al(1 1 1) surface has been studied by density functional theory calculations in order to deepen the molecular understanding of fundamental processes leading to pitting of aluminum (Al). The adsorption behavior of individual species, Cl{sup −}, O atom and O{sub 2} was determined first. Subsequently, three possible scenarios in different pitting stages were modeled exploring the repassivation and dissolution of Al in neutral electrolyte containing Cl{sup −}. In scenario i, it was found that Cl{sup −} can hardly destroy even an O-monolayer on Al(1 1 1) surface, however may lead to the elongation of Al−O bond and the weakened binding between the first Al layer and subsequent Al layers. Both O{sub 2} and Cl{sup −} were simultaneously introduced onto Al(1 1 1) in scenario ii. The result showed a weakened Al−O interaction and an intensive hybridization peak at −0.18 Ha between Al-3p with Cl-3p suggesting insufficient repassivation behavior of Al under this condition. Finally, scenario iii mimicked different local environmental conditions in pits formed on Al. At low coverage of Cl{sup −}, chloride ions had little effect on surface relaxation. The interaction among chloride ions and Al surface became stronger as Cl{sup −} coverage increased. Surface Al atoms dissolved gradually and substructures such as AlCl{sub 3} and Al{sub 2}Cl{sub 5} formed when the coverage was larger than 2/3 ML of a monolayer.

  8. Paying attention through eye movements: a computational investigation of the premotor theory of spatial attention.

    Science.gov (United States)

    Casarotti, Marco; Lisi, Matteo; Umiltà, Carlo; Zorzi, Marco

    2012-07-01

    Growing evidence indicates that planning eye movements and orienting visuospatial attention share overlapping brain mechanisms. A tight link between endogenous attention and eye movements is maintained by the premotor theory, in contrast to other accounts that postulate the existence of specific attention mechanisms that modulate the activity of information processing systems. The strong assumption of equivalence between attention and eye movements, however, is challenged by demonstrations that human observers are able to keep attention on a specific location while moving the eyes elsewhere. Here we investigate whether a recurrent model of saccadic planning can account for attentional effects without requiring additional or specific mechanisms separate from the circuits that perform sensorimotor transformations for eye movements. The model builds on the basis function approach and includes a circuit that performs spatial remapping using an "internal forward model" of how visual inputs are modified as a result of saccadic movements. Simulations show that the latter circuit is crucial to account for dissociations between attention and eye movements that may be invoked to disprove the premotor theory. The model provides new insights into how spatial remapping may be implemented in parietal cortex and offers a computational framework for recent proposals that link visual stability with remapping of attention pointers.

  9. The investigation of fast reactor fuel pin start up behaviour in the irradiation experiment DUELL II

    International Nuclear Information System (INIS)

    Freund, D.; Geithoff, D.

    1988-04-01

    The irradiation experiments DUELL-II within the SNR-300 operational Transient Experimental Program deal with the investigation of fresh mixed oxide fuel behaviour at start-up. The irradiation has been carried out in the HFR Petten in four so-called DUELL capsules with two fuel pin samples each. The fuel pins with a total length of 453 mm contained a fuel column of 150 mm length, consisting of high dense (U,Pu)O 2-x fuel with an initial porosity of 4%, a Pu-content of 20.9%, and an O/Me ratio of 1.96. The fuel pellet diameter was 6.37 mm, the outer diameter of the SS cladding, material No. 1.4970, was 7.6 mm. The irradiation included four phases, consisting of preconditioning at 85% nominal power (corresponds to 550 W/cm), a following increase to full power, and two following full power periods of 1 and 10 days, respectively. Post irradiation examination showed incomplete fuel restructuring in the first capsules with central void diameters of 800 μm in the hot plane, complete restructuring in the last capsule, leading to central voids of approximately 1 mm diameter. The residual gaps between fuel and clad varied between 25 and 44 μm. The clad inner surface did not show any corrosion attack. The analysis of fuel restructuring has been carried out with the computer code SATURN-S showing good agreement with the PIE results. The analysis led to a series of model improvements, especially for crack volume and relocation modelling. (orig./GL) [de

  10. Phase II Investigation at the Former CCC/USDA Grain Storage Facility in Savannah, Missouri

    Energy Technology Data Exchange (ETDEWEB)

    LaFreniere, Lorraine M. [Argonne National Lab. (ANL), Argonne, IL (United States). Environmental Science Division. Applied Geosciences and Environmental Management Section

    2012-05-01

    contamination potentially associated with a number of former CCC/USDA grain storage facilities in Missouri. The site characterization at Savannah is being conducted on behalf of the CCC/USDA by the Environmental Science Division of Argonne National Laboratory. The investigation is being conducted in phases, so that information obtained and interpretations developed during each incremental stage can be used most effectively to guide subsequent phases of the program. Phase II objectives: Investigate the more detailed characteristics of groundwater flow in the vicinity of the former CCC/USDA facility and the contaminated Morgan and MoDOT private wells; Obtain additional information on the vertical and lateral distribution and concentrations of carbon tetrachloride in groundwater in the vicinity of the former CCC/USDA facility and the contaminated Morgan and MoDOT private wells; Investigate further for possible evidence of carbon tetrachloride in the subsurface (vadose zone) and deeper soils beneath the former CCC/USDA facility, as well as in the vicinity of the contaminated MoDOT private well.

  11. Density functional theory investigation of two-dimensional dipolar fermions in a harmonic trap

    International Nuclear Information System (INIS)

    Ustunel, Hande; Abedinpour, Saeed H; Tanatar, B

    2014-01-01

    We investigate the behavior of polarized dipolar fermions in a two-dimensional harmonic trap in the framework of the density functional theory (DFT) formalism using the local density approximation. We treat only a few particles interacting moderately. Important results were deduced concerning key characteristics of the system such as total energy and particle density. Our results indicate that, at variance with Coulombic systems, the exchange- correlation component was found to provide a large contribution to the total energy for a large range of interaction strengths and particle numbers. In addition, the density profiles of the dipoles are shown to display important features around the origin that is not possible to capture by earlier, simpler treatments of such systems

  12. Density functional theory investigation of elastic properties and martensitic transformation of Ti-Ta alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Tanmoy; Rogal, Jutta; Drautz, Ralf [Interdisciplinary Centre for Advanced Materials Simulation, Ruhr- Universitaet Bochum (Germany)

    2016-07-01

    Ti-Ta alloys are considered as promising materials for high temperature shape memory alloys as well as biomedical applications. The properties of these alloys have been shown to be strongly composition dependent. The temperature for the martensitic transformation between the high temperature cubic austenite and the low temperature orthorhombic martensite decreases linearly with increasing Ta content. Likewise, the elastic properties show clear trends with changing composition. We use density functional theory to investigate the involved phases in Ti-Ta where the disordered phases are treated by special quasi-random structures. To compare the stability of the involved phases as a function of temperature we calculate free energies using the quasi-harmonic Debye model. The obtained trends in the stability are consistent with experimentally measured transformation temperatures. Furthermore, we determine elastic properties which are in good agreement with experimentally observed trends.

  13. A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic chains

    International Nuclear Information System (INIS)

    Liu Dan-Dan; Zhang Hong

    2011-01-01

    We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time-dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two transverse modes. As the chain length increases, the longitudinal plasmon mode is redshifted in energy while the transverse modes shift in the opposite direction (blueshifts). In addition, the energy gap between the two transverse modes reduces with chain length increasing. We find that there are unique characteristics, different from those of other metallic chains. These characteristics are crucial to atomic-scale engineering of single-molecule sensing, optical spectroscopy, and so on. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  14. Investigation of the local component of power-reactor noise via diffusion theory

    International Nuclear Information System (INIS)

    Kosaly, G.

    1975-03-01

    The aim of the paper is to provide a theoretical background for the phenomenological model, which postulates the existence of a local component in the neutron noise of a light water cooled boiling water reactor. After the introductory review of the phenomenological model, noise calculation are performed by help of the one-group and two-group diffusion theory. Only in the two-group diffusion model it is succeeded to find a term in the response to a propagating disturbance of density which results in a small volume of neutrons physical sensivity around the point of observation. The problem, whether this local component can be a dominating term in the solution or not, is investigated in the Appenix. (Sz.Z.)

  15. Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2008-10-01

    By using ab initio density functional theory the structural and electronic properties of isolated and bundled (8,0) and (6,6) silicon carbide nanotubes (SiCNTs) are investigated. Our results show that for such small diameter nanotubes the inter-tube interaction causes a very small radial deformation, while band splitting and reduction of the semiconducting energy band gap are significant. We compared the equilibrium interaction energy and inter-tube separation distance of (8,0) SiCNT bundle with (10,0) carbon nanotube (CNT) bundle where they have the same radius. We found that there is a larger inter-tube separation and weaker inter-tube interaction in the (8,0) SiCNT bundle with respect to (10,0) CNT bundle, although they have the same radius.

  16. Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles

    International Nuclear Information System (INIS)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2008-01-01

    By using ab initio density functional theory the structural and electronic properties of isolated and bundled (8,0) and (6,6) silicon carbide nanotubes (SiCNTs) are investigated. Our results show that for such small diameter nanotubes the inter-tube interaction causes a very small radial deformation, while band splitting and reduction of the semiconducting energy band gap are significant. We compared the equilibrium interaction energy and inter-tube separation distance of (8,0) SiCNT bundle with (10,0) carbon nanotube (CNT) bundle where they have the same radius. We found that there is a larger inter-tube separation and weaker inter-tube interaction in the (8,0) SiCNT bundle with respect to (10,0) CNT bundle, although they have the same radius

  17. An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

    Science.gov (United States)

    Greene, Samuel M; Shan, Xiao; Clary, David C

    2016-02-28

    We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

  18. Modeling PSA Problems - II: A Cell-to-Cell Transport Theory Approach

    International Nuclear Information System (INIS)

    Labeau, P.E.; Izquierdo, J.M.

    2005-01-01

    In the first paper of this series, we presented an extension of the classical theory of dynamic reliability in which the actual occurrence of an event causing a change in the system dynamics is possibly delayed. The concept of stimulus activation, which triggers the realization of an event after a distributed time delay, was introduced. This gives a new understanding of competing events in the sequence delineation process.In the context of the level-2 probabilistic safety analysis (PSA), the information on stimulus activation mainly consists of regions of the process variables space where the activation can occur with a given probability. The evolution equations of the extended theory of probabilistic dynamics are therefore particularized to a transport process between discrete cells defined in phase-space on this basis. Doing so, an integrated and coherent approach to level-2 PSA problems is propounded. This amounts to including the stimulus concept and the associated stochastic delays discussed in the first paper in the frame of a cell-to-cell transport process.In addition, this discrete model provides a theoretical basis for the definition of appropriate numerical schemes for integrated level-2 PSA applications

  19. Categorial compositionality II: universal constructions and a general theory of (quasi-systematicity in human cognition.

    Directory of Open Access Journals (Sweden)

    Steven Phillips

    2011-08-01

    Full Text Available A complete theory of cognitive architecture (i.e., the basic processes and modes of composition that together constitute cognitive behaviour must explain the systematicity property--why our cognitive capacities are organized into particular groups of capacities, rather than some other, arbitrary collection. The classical account supposes: (1 syntactically compositional representations; and (2 processes that are sensitive to--compatible with--their structure. Classical compositionality, however, does not explain why these two components must be compatible; they are only compatible by the ad hoc assumption (convention of employing the same mode of (concatenative compositionality (e.g., prefix/postfix, where a relation symbol is always prepended/appended to the symbols for the related entities. Architectures employing mixed modes do not support systematicity. Recently, we proposed an alternative explanation without ad hoc assumptions, using category theory. Here, we extend our explanation to domains that are quasi-systematic (e.g., aspects of most languages, where the domain includes some but not all possible combinations of constituents. The central category-theoretic construct is an adjunction involving pullbacks, where the primary focus is on the relationship between processes modelled as functors, rather than the representations. A functor is a structure-preserving map (or construction, for our purposes. An adjunction guarantees that the only pairings of functors are the systematic ones. Thus, (quasi-systematicity is a necessary consequence of a categorial cognitive architecture whose basic processes are functors that participate in adjunctions.

  20. Categorial compositionality II: universal constructions and a general theory of (quasi-)systematicity in human cognition.

    Science.gov (United States)

    Phillips, Steven; Wilson, William H

    2011-08-01

    A complete theory of cognitive architecture (i.e., the basic processes and modes of composition that together constitute cognitive behaviour) must explain the systematicity property--why our cognitive capacities are organized into particular groups of capacities, rather than some other, arbitrary collection. The classical account supposes: (1) syntactically compositional representations; and (2) processes that are sensitive to--compatible with--their structure. Classical compositionality, however, does not explain why these two components must be compatible; they are only compatible by the ad hoc assumption (convention) of employing the same mode of (concatenative) compositionality (e.g., prefix/postfix, where a relation symbol is always prepended/appended to the symbols for the related entities). Architectures employing mixed modes do not support systematicity. Recently, we proposed an alternative explanation without ad hoc assumptions, using category theory. Here, we extend our explanation to domains that are quasi-systematic (e.g., aspects of most languages), where the domain includes some but not all possible combinations of constituents. The central category-theoretic construct is an adjunction involving pullbacks, where the primary focus is on the relationship between processes modelled as functors, rather than the representations. A functor is a structure-preserving map (or construction, for our purposes). An adjunction guarantees that the only pairings of functors are the systematic ones. Thus, (quasi-)systematicity is a necessary consequence of a categorial cognitive architecture whose basic processes are functors that participate in adjunctions.

  1. Investigating the reversed causality of engagement and burnout in job demands-resources theory

    Directory of Open Access Journals (Sweden)

    Leon T. de Beer

    2013-03-01

    Full Text Available Orientation: Reversed causality is an area that has not commanded major attention within the South African context, specifically pertaining to engagement, burnout and job demands resources. Therefore, this necessitated an investigation to elucidate the potential effects. Research purpose: To investigate the reversed causal hypotheses of burnout and engagement in job demands-resources theory over time. Motivation for the study: Organisations and researchers should be made aware of the effects that burnout and engagement could have over time on resources and demands. Research design, approach and method: A longitudinal design was employed. The availability sample (n = 593 included participants from different demographic backgrounds. A survey was used to measure all constructs at both points in time. Structural equation modelling techniques were implemented with a categorical estimator to investigate the proposed hypotheses. Main findings: Burnout was found to have a significant negative longitudinal relationship with colleague support and supervisor support, whilst the negative relationship with supervisor support over time was more prominent. Engagement showed only one significant but small, negative relationship with supervisor support over time. All other relationships were statistically non-significant. Practical/managerial implications: This study makes organisations aware of the relationship between burnout and relationships at work over time. Proactive measures to promote relationships at work, specifically supervisor support, should be considered in addition to combatting burnout itself and promoting engagement. Contribution/value-add: This study provides insights and information on reversed causality, namely, the effects that engagement and burnout can have over time.

  2. Time-Sliced Perturbation Theory II: Baryon Acoustic Oscillations and Infrared Resummation

    CERN Document Server

    Blas, Diego; Ivanov, Mikhail M.; Sibiryakov, Sergey

    2016-01-01

    We use time-sliced perturbation theory (TSPT) to give an accurate description of the infrared non-linear effects affecting the baryonic acoustic oscillations (BAO) present in the distribution of matter at very large scales. In TSPT this can be done via a systematic resummation that has a simple diagrammatic representation and does not involve uncontrollable approximations. We discuss the power counting rules and derive explicit expressions for the resummed matter power spectrum up to next-to leading order and the bispectrum at the leading order. The two-point correlation function agrees well with N-body data at BAO scales. The systematic approach also allows to reliably assess the shift of the baryon acoustic peak due to non-linear effects.

  3. Stochastic theory of molecular collisions. II. Application to atom--vibrotor collisions

    International Nuclear Information System (INIS)

    Augustin, S.D.; Rabitz, H.

    1977-01-01

    In this work stochastic theory is applied to the treatment of atom--vibrotor collisions. This is an extension of a previous paper which described molecular collisions by a Pauli master equation or a Fokker--Planck equation. In this framework an energy conserving classical path model is explored, and methods for solving the equations numerically are discussed. The coefficients of the Fokker--Planck equation are shown to be expressible as simple functions of the interaction potential. Estimates of the computational labor are also discussed. Finally as a followup on the initial work, numerical solutions of the master equation for the collinear vibrational excitation problem of Secrest and Johnson are presented in an Appendix

  4. Usability of a theory of visual attention (TVA) for parameter-based measurement of attention II

    DEFF Research Database (Denmark)

    Bublak, Peter; Finke, Kathrin; Krummenacher, Joseph

    2005-01-01

    , and spatial distribution of attention. The procedure used was short enough to be applicable within a standard clinical setting. Two brain-damaged patients, selected based on lesion location and neuropsychological test profile, were compared to a control group of 22 healthy subjects. One patient with a right......Based on a 'Theory of Visual Attention' (TVA), whole and partial report of brief letter arrays is presented as a diagnostic tool to estimate four clinically significant attentional components: perceptual processing speed, visual working memory storage capacity, efficiency of top-down control...... inferior parietal lesion showed a pattern of non-spatially and spatially lateralized attention deficits that is typically found in neglect patients. Results from the second patient supported the decisive role of superior frontal brain structures for top-down control of visual attention. This double...

  5. Electrical conductivity of highly ionized dense hydrogen plasma. II. Comparison of experiment and theory

    Energy Technology Data Exchange (ETDEWEB)

    Guenther, K [Akademie der Wissenschaften der DDR, Berlin. Zentralinstitut fuer Elektronenphysik; Popovic, M M; Popovic, S S; Radtke, R

    1976-05-11

    The electrical conductivity of a non-ideal hydrogen plasma at p = 10 atm and T = 14,000-21,500 K is derived from electrical measurements and the radial temperature distribution of a pulsed wall-stabilized hydrogen arc using the theoretical temperature dependence of conductivity in an ideal binary collision plasma. From the comparison of theory and experiment, a suggestion to modify the cut-off parameter for charged particle potential from rsub(D) is derived, where rsub(D) is the Debye length. An estimate of Kaklyugin and Norman (Kaklyugin, A.S. and Norman, G.E., 1973 Teplofiz. vysok. temp., vol.11, 238-244) which takes into account both particle correlation and electron localisation in the environment of ions agrees very well with the experimental results over the whole temperature range.

  6. Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets.

    Science.gov (United States)

    Levnajić, Zoran; Mezić, Igor

    2015-05-01

    We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone, and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.

  7. A new formulation of the theory of tachyons. Part II: Tachyon electrodynamics

    International Nuclear Information System (INIS)

    Dawe, R.L.; Hines, K.C.

    1991-06-01

    A new formulation of the theory of tachyons using the same two postulates as in Special Relativity is applied to electrodynamics. Use is made of a 'switching principle' to show how tachyons automatically obey the law of conservation of electric charge in any inertial reference frame, even though the observed electric charge is not any invariant for tachyons. Tachyonic transformations of electromagnetic fields E, B, D, H, P and M are rigorously derived from Maxwell's equations and are shown to be the same as for bradyonic transformations. Tachyonic transformations of current and charge densities and scalar and vector potentials are also derived and discussed. Further examples include calculations of the magnetic dipole moment of a tachyonic current loop and of the speed of light in a tachyonic dielectric. Constitutive equations for a tachyonic dielectric are also given. The Lagrangian and Hamiltonian for charged tachyons are discussed, as well as generic tachyonic transformations. 51 refs., 15 figs

  8. Towards a Thomistic Theory of Intentional (“Fictive” Individuals (II

    Directory of Open Access Journals (Sweden)

    Stanislav Sousedík

    2015-12-01

    Full Text Available Following Aristotle’s stimuli, the medieval scholastics produced the theory of beings of reason (= intentional beings, i.e. beings that can only exist as an object of our reason (and in no other way. It is remarkable that an important component was omitted by the scholastic scholars, namely the teaching of intentional (nowadays called “fictional” more frequently individuals, e.g. Sherlock Holmes, Hamlet, Hephaistos etc. This issue was dealt with later by A. Meinong, E. Mally, T. Parsons and E. N. Zalta. This contribution strives to propose an alternative theory founded on the scholastic, specifically Thomistic thought. The author distinguishes 1 individual description of intentional individual, 2 this individual itself, and 3 its “representative” existing sometimes in the real world. An intentional being, in this conception, has only the properties ascribed to it by its description and the property of individuality (and no other property. Nevertheless, an intentional individual bears these properties differently from the real individual. Therefore, the author distinguishes two kinds of predication, the real and the intentional one. In this context, other logical problems of intentional individuals are addressed. By the “representative” of an intentional individual (e.g. Sherlock Holmes the author means e.g. its image made by the reader of A. C. Doyle in his (reader’s fantasy, or a real picture (illustration in the Hound of Baskerville book, further the actor who plays the role of famous detective in the film adaption of the novel etc. The goal of the contribution is to show that if existence is the first-level predicate, it can be predicated informatively, for as such it is able to distinguish the individuals that exist really from those that do not.

  9. On the effective theory of type II string compactifications on nilmanifolds and coset spaces

    International Nuclear Information System (INIS)

    Caviezel, Claudio

    2009-01-01

    In this thesis we analyzed a large number of type IIA strict SU(3)-structure compactifications with fluxes and O6/D6-sources, as well as type IIB static SU(2)-structure compactifications with fluxes and O5/O7-sources. Restricting to structures and fluxes that are constant in the basis of left-invariant one-forms, these models are tractable enough to allow for an explicit derivation of the four-dimensional low-energy effective theory. The six-dimensional compact manifolds we studied in this thesis are nilmanifolds based on nilpotent Lie-algebras, and, on the other hand, coset spaces based on semisimple and U(1)-groups, which admit a left-invariant strict SU(3)- or static SU(2)-structure. In particular, from the set of 34 distinct nilmanifolds we identified two nilmanifolds, the torus and the Iwasawa manifold, that allow for an AdS 4 , N = 1 type IIA strict SU(3)-structure solution and one nilmanifold allowing for an AdS 4 , N = 1 type IIB static SU(2)-structure solution. From the set of all the possible six-dimensional coset spaces, we identified seven coset spaces suitable for strict SU(3)-structure compactifications, four of which also allow for a static SU(2)-structure compactification. For all these models, we calculated the four-dimensional low-energy effective theory using N = 1 supergravity techniques. In order to write down the most general four-dimensional effective action, we also studied how to classify the different disconnected ''bubbles'' in moduli space. (orig.)

  10. Investigating Friendship Quality: An Exploration of Self-Control and Social Control Theories' Friendship Hypotheses

    Science.gov (United States)

    Boman, John H., IV; Krohn, Marvin D.; Gibson, Chris L.; Stogner, John M.

    2012-01-01

    While associations with deviant peers are well understood to impact individual development, less is understood about the relationship between friendship quality and delinquency. Two criminological theories--social control theory and self-control theory--are able to offer an explanation for the latter relationship. Social control and self-control…

  11. Investigations in particle and field theory: Progress report for period December 1, 1985-November 30, 1986

    International Nuclear Information System (INIS)

    Haller, K.; Islam, M.M.; Mannheim, P.D.; Caldi, D.G.

    1986-11-01

    Work is reported on temporal gauge formulations of gauge theories, first quantization of relativistic point classical systems and in the early universe, string theory, lattice gauge theory, and the origin of a significant C-odd amplitude in high energy elastic scattering

  12. Application of the Theory of Self-Organized Criticality to the Investigation of Historical Processes

    Directory of Open Access Journals (Sweden)

    Dmitry S. Zhukov

    2016-12-01

    Full Text Available The article demonstrates heuristic possibilities of the theory of self-organized criticality (SOC in the investigation of historical processes. Key SOC concepts and ideas are explained. Specifically, tools that can be used for identifying pink noise, an attribute of a critical state, are described. The results of spectral analyses of historical demographic data (i.e., birth and death rates in Russian settlements in the 19th and 20th centuries and historical market data (i.e., grain prices in regions of Russia in the 18th, 19th, and early 20th centuries are presented. It was found that noise color in the data series differed substantially across different periods. Based on these observations, the assumption that a change in noise color can serve as an indicator of changes in historical processes was made. In some cases, this indicator can enable one to establish the time, speed, and direction of state changes in historical processes. Pink noise was discovered in the examined birth and death rate dynamics, as well as in the dynamics of prices across periods. The described methods have the potential to be used beyond the limits of the presently considered historical subjects, including in investigations of different types of social transformation.

  13. An Investigation of Invariance Properties of One, Two and Three Parameter Logistic Item Response Theory Models

    Directory of Open Access Journals (Sweden)

    O.A. Awopeju

    2017-12-01

    Full Text Available The study investigated the invariance properties of one, two and three parame-ter logistic item response theory models. It examined the best fit among one parameter logistic (1PL, two-parameter logistic (2PL and three-parameter logistic (3PL IRT models for SSCE, 2008 in Mathematics. It also investigated the degree of invariance of the IRT models based item difficulty parameter estimates in SSCE in Mathematics across different samples of examinees and examined the degree of invariance of the IRT models based item discrimination estimates in SSCE in Mathematics across different samples of examinees. In order to achieve the set objectives, 6000 students (3000 males and 3000 females were drawn from the population of 35262 who wrote the 2008 paper 1 Senior Secondary Certificate Examination (SSCE in Mathematics organized by National Examination Council (NECO. The item difficulty and item discrimination parameter estimates from CTT and IRT were tested for invariance using BLOG MG 3 and correlation analysis was achieved using SPSS version 20. The research findings were that two parameter model IRT item difficulty and discrimination parameter estimates exhibited invariance property consistently across different samples and that 2-parameter model was suitable for all samples of examinees unlike one-parameter model and 3-parameter model.

  14. Making theory: I. Producing physics and physicists in postwar America. II. Post-inflation reheating in an expanding universe

    Science.gov (United States)

    Kaiser, David Isaac

    2000-11-01

    This dissertation examines the reinvention of theoretical physics in the United States through pedagogical means after World War II. Physics graduate student enrollments ballooned immediately after the war. The unprecedented enrollments forced questions of procedures and standards for graduate training as never before. At the same time, the crush of numbers spurred an increased bureaucratization and, at least some American physicists feared, a different system of values than what had prevailed during the quieter interwar period. Out of these new bureaucratic and pedagogical developments, theoretical physics became a recognized specialty within American physics, surrounded by new ideas about what theory was for and how students should be trained to do it. Two case studies focus on developments within theoretical physics after the war, using pedagogy as a lens through which to understand the links between practices and practitioners. Within nuclear and particle physics, as Part II discusses, young graduate students and postdoctoral fellows puzzled over how to calculate with, and how to interpret, the simple line-drawings introduced by Richard Feynman in 1948. The number of distinct pictorial forms, calculational roles, and attributed meanings for the simple stick-figures quickly multiplied: rather than commanding a single use or interpretation, the diagrams came to be used for a wide variety of distinct tasks. Some theorists clung to the diagrams even as they declared the original theoretical framework from which the diagrams had sprung to be ``sterile'' and ``dead.'' These young theorists drew the diagrams much the same way as Feynman had, yet read content into them which had no correlate in the older approaches. Part III uses pedagogy to make sense of a similar series of changes within the long-dormant field of gravitational physics. Einstein's gravitational field equations proved to be no more obvious or auto-interpreting than Feynman's diagrams had been

  15. Bipolar outflows as a repulsive gravitational phenomenon - Azimuthally Symmetric Theory of Gravitation (II)

    International Nuclear Information System (INIS)

    Nyambuya, Golden Gadzirayi

    2010-01-01

    This paper is part of a series on the Azimuthally Symmetric Theory of Gravitation (ASTG). This theory is built on Laplace-Poisson's well known equation and it has been shown that the ASTG is capable of explaining, from a purely classical physics standpoint, the precession of the perihelion of solar planets as a consequence of the azimuthal symmetry emerging from the spin of the Sun. This symmetry has and must have an influence on the emergent gravitational field. We show herein that the emergent equations from the ASTG, under some critical conditions determined by the spin, do possess repulsive gravitational fields in the polar regions of the gravitating body in question. This places the ASTG on an interesting pedestal to infer the origins of outflows as a repulsive gravitational phenomenon. Outflows are a ubiquitous phenomenon found in star forming systems and their true origin is a question yet to be settled. Given the current thinking on their origin, the direction that the present paper takes is nothing short of an asymptotic break from conventional wisdom; at the very least, it is a complete paradigm shift because gravitation is not at all associated with this process, but rather it is thought to be an all-attractive force that only tries to squash matter together onto a single point. Additionally, we show that the emergent Azimuthally Symmetric Gravitational Field from the ASTG strongly suggests a solution to the supposed Radiation Problem that is thought to be faced by massive stars in their process of formation. That is, at ∼ 8-10 M sun , radiation from the nascent star is expected to halt the accretion of matter. We show that in-falling material will fall onto the equatorial disk and from there, this material will be channeled onto the forming star via the equatorial plane, thus accretion of mass continues well past the value of ∼ 8-10 M sun , albeit via the disk. Along the equatorial plane, the net force (with the radiation force included) on any

  16. Horonobe Underground Research Laboratory project. Plans of investigations during shaft and drift excavation (Construction of underground facilities: Phase II)

    International Nuclear Information System (INIS)

    2005-06-01

    Horonobe Underground Research Laboratory Project is planned for over 20 years to establish the scientific and technical basis for the underground disposal of high-level radioactive wastes in Japan. The investigations are conducted by JNC in three phases, from the surface (Phase I), during the construction of the underground facilities (Phase II), and using the facilities (Phase III). This report concerns the investigation plans for Phase II. During excavation of shafts and drifts, detailed geological and borehole investigation will be conducted and the geological model constructed in Phase I is evaluated and revised by newly acquired data of geophysical and geological environment. Detailed in-situ experiments, as well as the effects of shaft excavation, are also done to study long-term changes, rock properties, groundwater flow and chemistry to ensure the reliability of repository technology and establish safety assessment methodology. (S. Ohno)

  17. A theory of drug tolerance and dependence II: the mathematical model.

    Science.gov (United States)

    Peper, Abraham

    2004-08-21

    The preceding paper presented a model of drug tolerance and dependence. The model assumes the development of tolerance to a repeatedly administered drug to be the result of a regulated adaptive process. The oral detection and analysis of exogenous substances is proposed to be the primary stimulus for the mechanism of drug tolerance. Anticipation and environmental cues are in the model considered secondary stimuli, becoming primary in dependence and addiction or when the drug administration bypasses the natural-oral-route, as is the case when drugs are administered intravenously. The model considers adaptation to the effect of a drug and adaptation to the interval between drug taking autonomous tolerance processes. Simulations with the mathematical model demonstrate the model's behaviour to be consistent with important characteristics of the development of tolerance to repeatedly administered drugs: the gradual decrease in drug effect when tolerance develops, the high sensitivity to small changes in drug dose, the rebound phenomenon and the large reactions following withdrawal in dependence. The present paper discusses the mathematical model in terms of its design. The model is a nonlinear, learning feedback system, fully satisfying control theoretical principles. It accepts any form of the stimulus-the drug intake-and describes how the physiological processes involved affect the distribution of the drug through the body and the stability of the regulation loop. The mathematical model verifies the proposed theory and provides a basis for the implementation of mathematical models of specific physiological processes.

  18. Occipital plagiocephaly: deformation or lambdoid synostosis ? II. a unifying theory regarding pathogenesis

    International Nuclear Information System (INIS)

    Dias, M.S.; Klein, D.M.

    1997-01-01

    Occipital plagiocephaly is characterized by both unilateral occipital flattening and ipsilateral frontal prominence with anterior deviation of the ipsilateral ear, yielding a characteristic parallelogram shape to the cranium. Radiographic changes in the lambdoid suture are often evident, but the lambdoid suture is usually patent over most or all of its length on skull X-rays and/or CT scans. Both lambdoid synostosis and deformational forces have been implicated as potentially causal in the pathogenesis of this deformity. We propose a unifying theory which incorporates a common pathogenesis for both deformational plagiocephaly and most cases of lambdoid ''synostosis''. According to this hypothesis, intrauterine and/or postnatal deformational forces are responsible for the primary calvarial deformation. These forces initially act in a reversible manner to produce the typical parallelogram-shaped skull deformity. How-ever, with continued deformation, more enduring secondary pathological changes may eventually occur in the lambdoid suture and basicranium which are more difficult to correct even if the offending deformational forces are subsequently removed or reversed. (authors)

  19. Spectroscopic investigation of new water soluble Mn(II)(2) and Mg(II)(2) complexes for the substrate binding models of xylose/glucose isomerases.

    Science.gov (United States)

    Patra, Ayan; Bera, Manindranath

    2014-01-30

    In methanol, the reaction of stoichiometric amounts of Mn(OAc)(2)·4H(2)O and the ligand H(3)hpnbpda [H(3)hpnbpda=N,N'-bis(2-pyridylmethyl)-2-hydroxy-1,3-propanediamine-N,N'-diacetic acid] in the presence of NaOH, afforded a new water soluble dinuclear manganese(II) complex, [Mn2(hpnbpda)(μ-OAc)] (1). Similarly, the reaction of Mg(OAc)(2)·4H(2)O and the ligand H3hpnbpda in the presence of NaOH, in methanol, yielded a new water soluble dinuclear magnesium(II) complex, [Mg2(hpnbpda)(μ-OAc)(H2O)2] (2). DFT calculations have been performed for the structural optimization of complexes 1 and 2. The DFT optimized structure of complex 1 shows that two manganese(II) centers are in a distorted square pyramidal geometry, whereas the DFT optimized structure of complex 2 reveals that two magnesium(II) centers adopt a six-coordinate distorted octahedral geometry. To understand the mode of substrate binding and the mechanistic details of the active site metals in xylose/glucose isomerases (XGI), we have investigated the binding interactions of biologically important monosaccharides d-glucose and d-xylose with complexes 1 and 2, in aqueous alkaline solution by a combined approach of FTIR, UV-vis, fluorescence, and (13)C NMR spectroscopic techniques. Fluorescence spectra show the binding-induced gradual decrease in emission of complexes 1 and 2 accompanied by a significant blue shift upon increasing the concentration of sugar substrates. The binding modes of d-glucose and d-xylose with complex 2 are indicated by their characteristic coordination induced shift (CIS) values in (13)C NMR spectra for C1 and C2 carbon atoms. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. School Choice: Education's Trickle Down Theory for Urban Students Attending Private Schools? Study II.

    Science.gov (United States)

    Kapel, David E.; And Others

    This study investigated possible effects of school choice programs by surveying 200 private schools in large urban areas. The survey instrument requested information on school demography, possible effects of participation in a Choice program, costs, selection of students participating in Choice, and climate and parental involvement. Analysis of…

  1. Theoretical and Experimental Investigation of Pyridyl thiourea Derivatives As Ionophores For Cu(II) Ion Detection

    International Nuclear Information System (INIS)

    Wan Mohd Khairul; Mohd Faizuddin Abu Hasan; Adibah Izzati Daud; Adibah Izzati Daud; Hafiza Mohamed Zuki; Ku Halim Ku Bulat; Maisara Abdul Kadir

    2016-01-01

    Copper (II) ion chemical sensors based on pyridine-thiourea derivatives; N-pyridyl-N ' -(biphenyl-4-carbonyl)thiourea (L1), and N-pyridyl-N ' -(3,5-dimethy oxybenzoyl)thiourea (L2) were synthesised, characterised, and studied as ionophores in the form of thin-films PVC membranes. The ionophores exhibited good responses towards copper (II) ion over the concentration range of 2 x 10 -4 to 10 x 10 -4 M with a limit of detection 1.34 x 10 -5 to 1.48 x 10 -5 M. The proposed sensors L1 and L2 revealed good performance in term of reproducibility and regeneration of the ionophores with low relative standard deviation (RSD) values 4.17 % and 2.74 % respectively. Besides, quantum chemical calculation performed using Gaussian 09 program indicated the oxygen (O) atom from carbonyl moiety (C=O) was the most favourite reactive site and mainly responsible for ionophore Cu(II) interaction. The obtained data revealed pyridine-thiourea derivatives offered great potential as ionophore for the detection of Cu (II) ion. (author)

  2. Investigation of the proteins relaxation time in human blood serum; Badania relaksacyjne bialek surowicy krwi II

    Energy Technology Data Exchange (ETDEWEB)

    Blicharska, B.; Klauza, M. [Inst. Fizyki, Uniwersytet Jagiellonski, Cracow (Poland); Kuliszkiewicz-Janus, M. [Akademia Medyczna, Wroclaw (Poland)

    1994-12-31

    In this paper the results of human blood serum proteins relaxation time measurements by means of NMR method are presented. The measurements have been done for three samples of human blood: i/laudably ii/leukemia iii/granulomas. The dependences of the relaxation time on the temperature are also presented. 3 refs, 4 figs.

  3. Investigation on Pleurotus ferulae potential for the sorption of Pb(II ...

    African Journals Online (AJOL)

    Pleurotus ferulae obtained from rotten tree was collected, washed, dried, ground and sieved to appropriate particle size. Infra-red spectrometry was used to determine functional groups on the biomass while biosorption of Pb(II) from aqueous solution was studied using the biomass in a batch system. The effect of pH (1-7.5), ...

  4. Investigating the Theoretical Structure of the DAS-II Core Battery at School Age Using Bayesian Structural Equation Modeling

    Science.gov (United States)

    Dombrowski, Stefan C.; Golay, Philippe; McGill, Ryan J.; Canivez, Gary L.

    2018-01-01

    Bayesian structural equation modeling (BSEM) was used to investigate the latent structure of the Differential Ability Scales-Second Edition core battery using the standardization sample normative data for ages 7-17. Results revealed plausibility of a three-factor model, consistent with publisher theory, expressed as either a higher-order (HO) or a…

  5. An Investigation of the Mechanism Underlying Teacher Aggression: Testing I[superscript 3] Theory and the General Aggression Model

    Science.gov (United States)

    Montuoro, Paul; Mainhard, Tim

    2017-01-01

    Background: Considerable research has investigated the deleterious effects of teachers responding aggressively to students who misbehave, but the mechanism underlying this dysfunctional behaviour remains unknown. Aims: This study investigated whether the mechanism underlying teacher aggression follows I[superscript 3] theory or General Aggression…

  6. Nucleon form factors in dispersively improved chiral effective field theory. II. Electromagnetic form factors

    Science.gov (United States)

    Alarcón, J. M.; Weiss, C.

    2018-05-01

    We study the nucleon electromagnetic form factors (EM FFs) using a recently developed method combining chiral effective field theory (χ EFT ) and dispersion analysis. The spectral functions on the two-pion cut at t >4 Mπ2 are constructed using the elastic unitarity relation and an N /D representation. χ EFT is used to calculate the real functions J±1(t ) =f±1(t ) /Fπ(t ) (ratios of the complex π π →N N ¯ partial-wave amplitudes and the timelike pion FF), which are free of π π rescattering. Rescattering effects are included through the empirical timelike pion FF | Fπ(t) | 2 . The method allows us to compute the isovector EM spectral functions up to t ˜1 GeV2 with controlled accuracy (leading order, next-to-leading order, and partial next-to-next-to-leading order). With the spectral functions we calculate the isovector nucleon EM FFs and their derivatives at t =0 (EM radii, moments) using subtracted dispersion relations. We predict the values of higher FF derivatives, which are not affected by higher-order chiral corrections and are obtained almost parameter-free in our approach, and explain their collective behavior. We estimate the individual proton and neutron FFs by adding an empirical parametrization of the isoscalar sector. Excellent agreement with the present low-Q2 FF data is achieved up to ˜0.5 GeV2 for GE, and up to ˜0.2 GeV2 for GM. Our results can be used to guide the analysis of low-Q2 elastic scattering data and the extraction of the proton charge radius.

  7. GUTs and exceptional branes in F-theory - II. Experimental predictions

    International Nuclear Information System (INIS)

    Beasley, Chris; Heckman, Jonathan J.; Vafa, Cumrun

    2009-01-01

    We consider realizations of GUT models in F-theory. Adopting a bottom up approach, the assumption that the dynamics of the GUT model can in principle decouple from Planck scale physics leads to a surprisingly predictive framework. An internal U(1) hypercharge flux Higgses the GUT group directly to the MSSM or to a flipped GUT model, a mechanism unavailable in heterotic models. This new ingredient automatically addresses a number of puzzles present in traditional GUT models. The internal U(1) hyperflux allows us to solve the doublet-triplet splitting problem, and explains the qualitative features of the distorted GUT mass relations for lighter generations due to the Aharanov-Bohm effect. These models typically come with nearly exact global symmetries which prevent bare μ terms and also forbid dangerous baryon number violating operators. Strong curvature around our brane leads to a repulsion mechanism for Landau wave functions for neutral fields. This leads to large hierarchies of the form exp(-c/ε 2γ ) where c and γ are order one parameters and ε ∼ α GUT -1 M GUT /M pl . This effect can simultaneously generate a viably small μ term as well as an acceptable Dirac neutrino mass on the order of 0.5 x 10 -2±0.5 eV. In another scenario, we find a modified seesaw mechanism which predicts that the light neutrinos have masses in the expected range while the Majorana mass term for the heavy neutrinos is ∼ 3 x 10 12±1.5 GeV. Communicating supersymmetry breaking to the MSSM can be elegantly realized through gauge mediation. In one scenario, the same repulsion mechanism also leads to messenger masses which are naturally much lighter than the GUT scale.

  8. Inorganic arsenic and iron(II) distributions in sediment porewaters investigated by a combined DGTcolourimetric DET technique

    DEFF Research Database (Denmark)

    Bennett, William W.; Teasdale, Peter R.; Welsh, David T.

    2012-01-01

    A new approach for investigating the biogeochemistry of inorganic arsenic and iron(II) in freshwater, estuarine and marine sediments is reported. The recently developed Metsorb diffusive gradients in thin films (DGT) technique for the measurement of total inorganic arsenic and the colourimetric d...... highly representative assessment of the biogeochemical status of arsenic and iron in a variety of natural sediments, including groundwater sediments where mobilised arsenic is responsible for significant human health risks.......A new approach for investigating the biogeochemistry of inorganic arsenic and iron(II) in freshwater, estuarine and marine sediments is reported. The recently developed Metsorb diffusive gradients in thin films (DGT) technique for the measurement of total inorganic arsenic and the colourimetric...... diffusive equilibration in thin films (DET) technique for the measurement of iron(II), were utilised in combination to determine co-located depth profiles of both solutes in sediment porewaters. DGT-measured porewater arsenic concentrations were typically less than 40nM, whereas iron(II) concentrations...

  9. Localized multi-scale energy and vorticity analysis. II. Finite-amplitude instability theory and validation

    Science.gov (United States)

    San Liang, X.; Robinson, Allan R.

    2007-12-01

    Reynolds stress framework. Using the techniques of marginalization and localization, this work sets up an example for the generalization of certain geophysical fluid dynamics theories for more generic purposes.

  10. Using Multiple Ways to Investigate Cognitive Load Theory in the Context of Physics Instruction

    Science.gov (United States)

    Zu, Tianlong

    Cognitive load theory (CLT) (Sweller 1988, 1998, 2010) provides us a guiding framework for designing instructional materials. CLT differentiates three subtypes of cognitive load: intrinsic, extraneous, and germane cognitive load. The three cognitive loads are theorized based on the number of simultaneously processed elements in working memory. Intrinsic cognitive load depends upon the number of interacting elements in the instructional material that are related to the learning objective. Extraneous cognitive load is the mental resources allocated to processing unnecessary information which does not contribute to learning as caused by non- optimal instructional procedure. It is determined by the number of interacting elements which are not related to learning goal. Both intrinsic and extraneous load vary according to prior knowledge of learners. Germane cognitive load is indirectly related to interacting elements. It represents the cognitive resources deployed for processing intrinsic load, chunking information and constructing and automating schema. Germane cognitive load is related to level of motivation of the learner. Given this triarchic model of cognitive load and their different roles in learning activities, different learning outcomes can be expected depending upon the characteristics of the educational materials, learner characteristics, and instructional setting. In three experiments, we investigated cognitive load theory following different approaches. Given the triarchic nature of cognitive load construct, it is critical to find non- intrusive ways to measure cognitive load. In study one, we replicated and extended a previous landmark study to investigate the use of eye movements related metrics to measure the three kinds of cognitive load independently. We also collected working memory capacity of students using a cognitive operation-span task. Two of the three types of cognitive load (intrinsic and extraneous) were directly manipulated, and the third

  11. Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory

    International Nuclear Information System (INIS)

    Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjørk

    2016-01-01

    The adsorption, diffusion, and dissociation of pyridine, C 5 H 5 N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local minima in the energy landscape reveal that the most favourable diffusion path for pyridine has a barrier of 0.53 eV. In the preferred path, the pyridine remains parallel to the surface while performing small single rotational steps with a carbon-carbon double bond hinged above a single Pt atom. The origin of the diffusion pathway is discussed in terms of the C 2 –Pt π-bond being stronger than the corresponding CN–Pt π-bond. The energy barrier and reaction enthalpy for dehydrogenation of adsorbed pyridine into an adsorbed, upright bound α-pyridyl species are calculated to 0.71 eV and 0.18 eV, respectively (both zero-point energy corrected). The calculations are used to rationalize previous experimental observations from the literature for pyridine on Pt(111).

  12. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on Lornoxicam by density functional theory

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-11-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of Lornoxicam were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p) and 6-31++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the Vibrational modes calculated using Vibrational Energy Distribution Analysis (VEDA 4) program. The oscillator's strength calculated by TD-DFT and Lornoxicam is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis and the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like Entropy, Enthalpy, Specific heat capacity and zero vibrational energy have been calculated. Besides, molecular electrostatic potential (MEP) was investigated using theoretical calculations.

  13. A longitudinal investigation of the relationship between maternal mind-mindedness and theory of mind.

    Science.gov (United States)

    Kirk, Elizabeth; Pine, Karen; Wheatley, Lisa; Howlett, Neil; Schulz, Joerg; Fletcher, Ben C

    2015-11-01

    Data are presented from a longitudinal investigation examining the relationship between maternal mind-mindedness (MM) in infancy and socio-cognitive development in childhood. We revisited children (n = 18) who had taken part in a longitudinal study as infants. MM had been assessed at 10, 12, 16, and 20 months of age. We followed up these children at 5-6 years of age to test their higher order theory of mind (ToM) (using the strange stories task). The convergent validity, temporal stability, and predictive validity of the construct of MM were examined in a longitudinal data set. The five measures of MM were not significantly correlated. Mother's production of appropriate mind-related comments (but no other measures) showed evidence of temporal stability throughout infancy. Thus, MM (as measured by appropriate mind-related comments) was confirmed as a stable construct. Children's ToM at 5-6 years of age was significantly predicted by their mother's MM up to 4 years earlier, with MM accounting for 40% of the variance of the strange stories task scores. These findings identify a relationship between MM across a protracted period of infancy and socio-cognitive development at 5-6 years of age. © 2015 The British Psychological Society.

  14. An Investigation of Emotion Recognition and Theory of Mind in People with Chronic Heart Failure

    Science.gov (United States)

    Habota, Tina; McLennan, Skye N.; Cameron, Jan; Ski, Chantal F.; Thompson, David R.; Rendell, Peter G.

    2015-01-01

    Objectives Cognitive deficits are common in patients with chronic heart failure (CHF), but no study has investigated whether these deficits extend to social cognition. The present study provided the first empirical assessment of emotion recognition and theory of mind (ToM) in patients with CHF. In addition, it assessed whether each of these social cognitive constructs was associated with more general cognitive impairment. Methods A group comparison design was used, with 31 CHF patients compared to 38 demographically matched controls. The Ekman Faces test was used to assess emotion recognition, and the Mind in the Eyes test to measure ToM. Measures assessing global cognition, executive functions, and verbal memory were also administered. Results There were no differences between groups on emotion recognition or ToM. The CHF group’s performance was poorer on some executive measures, but memory was relatively preserved. In the CHF group, both emotion recognition performance and ToM ability correlated moderately with global cognition (r = .38, p = .034; r = .49, p = .005, respectively), but not with executive function or verbal memory. Conclusion CHF patients with lower cognitive ability were more likely to have difficulty recognizing emotions and inferring the mental states of others. Clinical implications of these findings are discussed. PMID:26529409

  15. CO interaction with Cu(I)-MCM-22 zeolite: density function theory investigation

    International Nuclear Information System (INIS)

    Viet Thang Ho; Petr Nachtigall

    2014-01-01

    MCM-22 zeolite has been widely used in many applications for catalysis and adsorption. Especially, this material exchanged with Cu + cation (Cu(I)-MCM-22) is an active catalyst in green chemical reaction, such as decomposition of NO and N 2 O. The local geometry of Cu + in vicinity of Al (III) replacement in six different Si (IV) sites and CO interaction with the most stable Cu + in each Al site were explored using periodic density functional theory (DFT) method. Th CO stretching frequencies were computed applying the ω/r scaling method in which frequencies were determined at high quantum level (couple cluster) and CO bond length calculated at DFT level. The results showed that Cu + cation located in the channel wall position and intersection position coordinated with 3 or 2 framework oxygen atoms, respectively, before CO adsorption and Cu + cation coordinated with 2 framework oxygen atoms after CO adsorption. The interaction energies between CO and Cu + cation were in range -148 to -195 kJ/mol -1 and CO frequencies exhibit two peak at 2151 and 2159 cm -1 in good agreement with experimental data. This investigation allows to understand the Cu + location in MCM-22 and CO adsorption in Cu(I)-MCM-22 zeolite. (author)

  16. Density functional theory investigation of oxygen interaction with boron-doped graphite

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Juan; Wang, Chen [State Key Lab of New Ceramic and Fine Processing, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Liang, Tongxiang, E-mail: txliang@tsinghua.edu.cn [State Key Lab of New Ceramic and Fine Processing, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Lai, Wensheng [Advanced Material Laboratory, School of Materials Science & Engineering, Tsinghua University, Beijing, 100084 (China)

    2016-12-30

    Highlights: • Density-functional approach is applied to study the interaction of oxygen with boron-doped graphite. • Adsorption and diffusion of oxygen atoms on boron doped graphite surfaces are studied. • Recombination of oxygen is investigated by ER and LH mechanisms. • Low boron concentration facilitates O{sub 2} formation while high boron loading inhibits the recombination. • The presence of B−B bonds due to boron accumulation makes it impossible for oxygen recombination. - Abstract: Boron inserted as impurity by substitution of carbon atoms in graphite is known to change (improve or deteriorate) oxidation resistance of nuclear graphite, but the reason for both catalytic and inhibiting oxidation is still uncertain. As a first step, this work is more specially devoted to the adsorption and diffusion of oxygen atoms on the surface and related to the problem of oxygen retention on the pure and boron-containing graphite surfaces. Adsorption energies and energy barriers associated to the diffusion for molecular oxygen recombination are calculated in the density functional theory framework. The existence of boron modifies the electronic structure of the surface, which results in an increase of the adsorption energy for O. However, low boron loading makes it easier for the recombination into molecular oxygen. For high boron concentration, it induces a better O retention capability in graphite because the presence of B-B bonds decreases recombination of the adsorbed oxygen atoms. A possible explanation for both catalytic and inhibiting effects of boron in graphite is proposed.

  17. Investigating the Impact of Item Parameter Drift for Item Response Theory Models with Mixture Distributions.

    Science.gov (United States)

    Park, Yoon Soo; Lee, Young-Sun; Xing, Kuan

    2016-01-01

    This study investigates the impact of item parameter drift (IPD) on parameter and ability estimation when the underlying measurement model fits a mixture distribution, thereby violating the item invariance property of unidimensional item response theory (IRT) models. An empirical study was conducted to demonstrate the occurrence of both IPD and an underlying mixture distribution using real-world data. Twenty-one trended anchor items from the 1999, 2003, and 2007 administrations of Trends in International Mathematics and Science Study (TIMSS) were analyzed using unidimensional and mixture IRT models. TIMSS treats trended anchor items as invariant over testing administrations and uses pre-calibrated item parameters based on unidimensional IRT. However, empirical results showed evidence of two latent subgroups with IPD. Results also showed changes in the distribution of examinee ability between latent classes over the three administrations. A simulation study was conducted to examine the impact of IPD on the estimation of ability and item parameters, when data have underlying mixture distributions. Simulations used data generated from a mixture IRT model and estimated using unidimensional IRT. Results showed that data reflecting IPD using mixture IRT model led to IPD in the unidimensional IRT model. Changes in the distribution of examinee ability also affected item parameters. Moreover, drift with respect to item discrimination and distribution of examinee ability affected estimates of examinee ability. These findings demonstrate the need to caution and evaluate IPD using a mixture IRT framework to understand its effects on item parameters and examinee ability.

  18. Investigating the Impact of Item Parameter Drift for Item Response Theory Models with Mixture Distributions

    Directory of Open Access Journals (Sweden)

    Yoon Soo ePark

    2016-02-01

    Full Text Available This study investigates the impact of item parameter drift (IPD on parameter and ability estimation when the underlying measurement model fits a mixture distribution, thereby violating the item invariance property of unidimensional item response theory (IRT models. An empirical study was conducted to demonstrate the occurrence of both IPD and an underlying mixture distribution using real-world data. Twenty-one trended anchor items from the 1999, 2003, and 2007 administrations of Trends in International Mathematics and Science Study (TIMSS were analyzed using unidimensional and mixture IRT models. TIMSS treats trended anchor items as invariant over testing administrations and uses pre-calibrated item parameters based on unidimensional IRT. However, empirical results showed evidence of two latent subgroups with IPD. Results showed changes in the distribution of examinee ability between latent classes over the three administrations. A simulation study was conducted to examine the impact of IPD on the estimation of ability and item parameters, when data have underlying mixture distributions. Simulations used data generated from a mixture IRT model and estimated using unidimensional IRT. Results showed that data reflecting IPD using mixture IRT model led to IPD in the unidimensional IRT model. Changes in the distribution of examinee ability also affected item parameters. Moreover, drift with respect to item discrimination and distribution of examinee ability affected estimates of examinee ability. These findings demonstrate the need to caution and evaluate IPD using a mixture IRT framework to understand its effect on item parameters and examinee ability.

  19. Investigation for the sodium leak Monju. Sodium fire test-II

    International Nuclear Information System (INIS)

    Uchiyama, Naoki; Takai, Toshihide; Nishimura, Masahiro; Miyahara, Shinya; Miyake, Osamu; Tanabe, Hiromi

    2000-08-01

    As a part of the work for investigating the sodium leak accident which occurred in the Monju reactor (hereinafter referred to as Monju), sodium fire test-II was carried out using the SOLFA-1 (Sodium Leak, Fire and Aerosol) facility at OEC/PNC. In the test, the piping, ventilation duct, grating and floor liner were all full-sized and arranged in a rectangular concrete cell in the same manner as in Monju. The main objectives of the test were to confirm the leak and burning behavior of sodium from the damaged thermometer, and the effects of the sodium fire on the integrity of the surrounding structure. The main conclusions obtained from the test are shown below: (1) Burning Behavior of Leaked Sodium : Images taken with a cameras in the test reveal that in the early stages of the sodium leak, the sodium dropped down out of the flexible tube in drips. (2) Damage to the Ventilation Duct and Grating : The temperature of the ventilation duct's inner surface fluctuated between approximately 600degC and 700degC. The temperature of the grating began rising at the outset of the test, then fluctuated between roughly 600degC and 900degC. The maximum temperature was about 1000degC. After the test, damage to the ventilation duct and the grating was found. Damage to the duct was greater than that at Monju. (3) Effects on the Floor Liner : The temperature of the floor liner under the leak point exceed 1,000degC at 3 hours and 20 minutes into the test. A post test inspection of the liner revealed five holes in an area about 1m x 1m square under the leak point. There was also a decrease of the liner thickness on the north and west side of the leak point. (4) Effects on Concrete : The post test inspection revealed no surface damage on either the concrete side walls or the ceiling. However, the floor concrete was eroded to a maximum depth 8 cm due to a sodium-concrete reaction. The compressive strength of the concrete was not degraded in spite of the thermal effect. (5) Chemical

  20. Evolutionary behaviour of AGN: Investigations on BL Lac objects and Seyfert II galaxies

    Science.gov (United States)

    Beckmann, V.

    2000-12-01

    The evolution and nature of AGN is still one of the enigmatic questions in astrophysics. While large and complete Quasar samples are available, special classes of AGN, like BL Lac objects and Seyfert II galaxies, are still rare objects. In this work I present two new AGN samples. The first one is the HRX-BL Lac survey, resulting in a sample of X-ray selected BL Lac objects. This sample results from 223 BL Lac candidates based on a correlation of X-ray sources with radio sources. The identification of this sample is 98% complete. 77 objects have been identified as BL Lac objects and form the HRX-BL Lac complete sample, the largest homogeneous sample of BL Lac objects existing today. For this sample, redshifts are now known for 62 objects (81 %). In total I present 101 BL Lac objects in the enlarged HRX-BL Lac survey, for which redshift information is available for 84 objects. During the HRX-BL Lac survey I found several objects of special interest. 1ES 1517+656 turned out to be the brightest known BL Lac object in the universe. 1ES 0927+500 could be the first BL Lac object with a line detected in the X-ray region. RX J1211+2242 is probably the the counterpart of the up to now unidentified gamma-ray source 3EG J1212+2304. Additionally I present seven candidates for ultra high frequency peaked BL Lac objects. RX J1054+3855 and RX J1153+3517 are rare high redshift X-ray bright QSO or accreting binary systems with huge magnetic fields. For the BL Lac objects I suggest an unified scenario in which giant elliptical galaxies, formed by merging events of spiral galaxies at z > 2, start as powerful, radio dominated BL Lacs. As the jet gets less powerful, the BL Lacs start to get more X-ray dominated, showing less total luminosities (for z definition to objects with a calcium break up to 40%, but do not support for the HBL the idea of allowing emission lines in the spectra of BL Lac galaxies. A way to find high redshift BL Lac objects might be the identification of faint X

  1. Metal based pharmacologically active complexes of Cu(II), Ni(II) and Zn(II): synthesis, spectral, XRD, antimicrobial screening, DNA interaction and cleavage investigation.

    Science.gov (United States)

    Raman, Natarajan; Mahalakshmi, Rajkumar; Arun, T; Packianathan, S; Rajkumar, R

    2014-09-05

    The present contribution reports a thorough characterization of newly obtained metallointercalators incorporating Schiff bases, formed by the condensation of N-acetoacetyl-o-toluidine with 1-amino-4-nitrobenzene (L(1))/1-amino-4-chlorobenzene (L(2)) as main ligand and 1,10-phenanthroline as co-ligand respectively. The characterization of newly formed metallointercalators has been done by (1)H NMR, UV-Vis, IR, EPR spectroscopy and molar conductivity studies. X-ray powder diffraction illustrates that they are crystalline nature. Binding interaction of these complexes with calf thymus (CT-DNA) has been investigated by emission, absorption, viscosity, cyclic voltammetry and differential pulse voltammetry. DNA binding experiments results reveal that the synthesized complexes interact with DNA through intercalative mode. The in vitro antibacterial and antifungal assay indicate that these complexes are good antimicrobial agents against various pathogens. The DNA cleavage exhibits that they act as efficient cleaving agents. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Cultural Resources Investigations at Redstone Arsenal, Madison County, Alabama. Volume II.

    Science.gov (United States)

    1980-01-01

    was an infant or child . Parts of broken pottery vessels were found with two of the burials. I As mentioned above, ceramics were relatively infrequent...ai-j- IL is also due to a certain amiount of I tI ’rt ie 1(a ao -- tilit- iV! t-ri i process does not porn i t an extant I ii tfel to !, -,I) Ip it

  3. Experimental investigation of edge sheared flow development and configuration effects in the TJ-II stellarator

    International Nuclear Information System (INIS)

    Pedrosa, M.A.; Hidalgo, C.; Alonso, A.; Calderon, E.; Orozco, O.; Pablos, J.L. de

    2005-01-01

    Experimental results have shown that the generation of spontaneous perpendicular sheared flow (i.e. the naturally occurring shear layer) requires a minimum plasma density or gradient in the TJ-II stellarator. This finding has been observed by means of multiple plasma diagnostics, including probes, fast cameras, reflectometry and HIBP. The obtained shearing rate of the naturally occurring shear layer results in general comparable to the one observed during biasing-improved confinement regimes. It has been found that there is a coupling between the onset of sheared flow development and an increase in the level of plasma edge fluctuations pointing to turbulence as the main ingredient of the radial electric field drive; once the shear flow develops the level of turbulence tends to decrease. The link between the development of sheared flows and plasma density in TJ-II has been observed in different magnetic configurations and plasma regimes. Preliminary results show that the threshold density value depends on the iota value and on the magnetic ripple (plasma volume). Recent experiments carried out in the LHD stellarator have shown that edge sheared flows are also affected by the magnitude of edge magnetic ripple: the threshold density to trigger edge sheared flows increases with magnetic ripple . Those results have been interpreted as an evidence of the importance of neoclassical effect in the physics of ExB sheared flows. For some TJ-II magnetic configurations with higher edge iota (ι/2π≥ 1.8) there is a sharp increase in the edge density gradient simultaneous to a strong reduction of fluctuations and transport and a slight increase of the shearing rate and perpendicular rotation (≥2 km/s) as density increases above the threshold. The role of the edge ripple, the presence of edge rational surfaces and properties of turbulent transport are considered as possible ingredients to explain the spontaneous development of edge sheared flows in TJ-II. (author)

  4. The Life Mission Theory II. The Structure of the Life Purpose and the Ego

    Directory of Open Access Journals (Sweden)

    Soren Ventegodt

    2003-01-01

    Full Text Available Pursuing your life mission is often very difficult, and many frustrations are experienced along the way. Major failures to bring out our potential can cause us considerable emotional pain. When this pain is unbearable, we are induced to shift from one intention and talent to another that better allows us to adapt and survive. Thus, we become set on a course that brings out a secondary or tertiary talent instead of the primary talent. This talent displacement may be expressed as a loss of our true nature or true self. The new purpose in life now functions as the core of a new personality: the ego. The ego has a structure similar to that of the true self. It is anchored in a talent and it draws on subtalents. But the person who is centered in his or her ego is not as powerful or talented as the person he or she originally was, living the primary purpose of life. This is because the original personality (the true self or “higher self” is still there, active and alive, behind the ego. Symptoms, disorders, and diseases may be explained by the loss of energy, joy in life, and intuitive competence because of inner conflicts, which may be alleviated or cured in the salutogenetic process of Antonovsky that helps patients find their sense of coherence or their primary purpose in life. Many cases of reduced ability to function, physically as well as psychologically, socially or sexually, can also be explained and alleviated in this way. When a person discovers his true talent and begins to use it with dedication, privately as well as professionally, his life will flourish and he may overcome even serious disease and great adversity in life. The salutogenetic process can also be called personal development or “quality of life as medicine”. It is important to note that the plan for personal development laid out by this theory is a plan not for the elimination of the ego, but for its cultivation. An existentially sound person still has a mental ego of

  5. Investigation on biomolecular interactions of nickel(II) complexes with monoanionic bidentate ligands

    Science.gov (United States)

    Jayamani, Arumugam; Sethupathi, Murugan; Ojwach, Stephen O.; Sengottuvelan, Nallathambi

    2018-01-01

    Reactions of monoanionic bidentate ligands 5-methylsalicylaldehyde (5-msal), 5-bromosalicylaldehyde (5-brsal), 5-nitrosalicylaldehyde (5-nsal) and 2-hydroxy-1-naphthaldehyde (2-hnap) with nickel perchlorate hexahydrate produced nickel(II) complexes 1-4, respectively. Single crystal X-ray analyses of complexes 1 and 2 confirmed bidentate mode of the ligands with O˄O coordination to give square planar geometry around nickel atoms. Complexes 1-4 showed one quasi-reversible redox peak at cathodic region (-0.67 to -0.80 V) and one redox peak at anodic region (+1.08 to +1.44 V) assignable to the Ni(II)/Ni(I) and Ni(II)/Ni(III) redox couples, respectively. The complexes exhibited good bovine serum albumin (BSA) binding abilities with a maximum binding constant of 1.96 × 105 M-1. The binding of complexes with calf thymus DNA (ctDNA) showed that the binding affinity is consistent with an increase in steric bulk of the ligands. The nuclease activity of the complexes showed efficient oxidative cleavage in the presence of hydrogen peroxide as an oxidizing agent. The complexes showed higher zone of inhibition when screened for antimicrobial activity against bacteria and human pathogenic fungi.

  6. Investigation of the utility of colorectal function tests and Rome II criteria in dyssynergic defecation (Anismus).

    Science.gov (United States)

    Rao, S S C; Mudipalli, R S; Stessman, M; Zimmerman, B

    2004-10-01

    Although 30-50% of constipated patients exhibit dyssynergia, an optimal method of diagnosis is unclear. Recently, consensus criteria have been proposed but their utility is unknown. To examine the diagnostic yield of colorectal tests, reproducibility of manometry and utility of Rome II criteria. A total of 100 patients with difficult defecation were prospectively evaluated with anorectal manometry, balloon expulsion, colonic transit and defecography. Fifty-three patients had repeat manometry. During attempted defecation, 30 showed normal and 70 one of three abnormal manometric patterns. Forty-six patients fulfilled Rome criteria and showed paradoxical anal contraction (type I) or impaired anal relaxation (type III) with adequate propulsion. However, 24 (34%) showed impaired propulsion (type II). Forty-five (64%) had slow transit, 42 (60%) impaired balloon expulsion and 26 (37%) abnormal defecography. Defecography provided no additional discriminant utility. Evidence of dyssynergia was reproducible in 51 of 53 patients. Symptoms alone could not differentiate dyssynergic subtypes or patients. Dyssynergic patients exhibited three patterns that were reproducible: paradoxical contraction, impaired propulsion and impaired relaxation. Although useful, Rome II criteria may be insufficient to identify or subclassify dyssynergic defecation. Symptoms together with abnormal manometry, abnormal balloon expulsion or colonic marker retention are necessary to optimally identify patients with difficult defecation.

  7. Investigation on the electrode process of the Mn(II)/Mn(III) couple in redox flow battery

    International Nuclear Information System (INIS)

    Xue Fangqin; Wang Yongliang; Wang Wenhong; Wang Xindong

    2008-01-01

    The Mn(II)/Mn(III) couple has been recognized as a potential anode for redox flow batteries to take the place of the V(IV)/V(V) in all-vanadium redox battery (VRB) and the Br 2 /Br - in sodium polysulfide/bromine (PSB) because it has higher standard electrode potential. In this study, the electrochemical behavior of the Mn(II)/Mn(III) couple on carbon felt and spectral pure graphite were investigated by cyclic voltammetry, steady polarization curve, electrochemical impedance spectroscopy, transient potential-step experiment, X-ray diffraction and charge-discharge experiments. Results show that the Mn(III) disproportionation reaction phenomena is obvious on the carbon felt electrode while it is weak on the graphite electrode owing to its fewer active sites. The reaction mechanism on carbon felt was discussed in detail. The reversibility of Mn(II)/Mn(III) is best when the sulfuric acid concentration is 5 M on the graphite electrode. Performance of a RFB employing Mn(II)/Mn(III) couple as anolyte active species and V(III)/V(II) as catholyte ones was evaluated with constant-current charge-discharge tests. The average columbic efficiency is 69.4% and the voltage efficiency is 90.4% at a current density of 20 mA cm -2 . The whole energy efficiency is 62.7% close to that of the all-vanadium battery and the average discharge voltage is about 14% higher than that of an all-vanadium battery. The preliminary exploration shows that the Mn(II)/Mn(III) couple is electrochemically promising for redox flow battery

  8. An Investigation of the Mathematical Models of Piaget's Psychological Theory of Cognitive Learning. Final Report.

    Science.gov (United States)

    Kalechofsky, Robert

    This research paper proposes several mathematical models which help clarify Piaget's theory of cognition on the concrete and formal operational stages. Some modified lattice models were used for the concrete stage and a combined Boolean Algebra and group theory model was used for the formal stage. The researcher used experiments cited in the…

  9. Investigation of the transition from forced to natural convection in the research reactor Munich II

    International Nuclear Information System (INIS)

    Skreba, S.; Adamek, J.; Unger, H.

    1999-01-01

    The new research reactor Munich II (FRM-II), which is under construction at the Technical University Munich, Germany, makes use of a newly developed compact reactor core consisting of a single fuel element, which is assembled of two concentric pipes. Between the fuel element's inner and outer pipe 113 involutely bent fuel plates are placed rotationally symmetric, forming 113 cooling channels of a constant width of 2.2 mm. After a shut down of the reactor, battery supported cooling pumps are started by the reactor safety system in order to remove the decay heat by a downwards directed forced flow. Three hours after they have been started, the cooling pumps are shut down and so-called 'natural convection flaps' are opened by their own weight. Through a flow path, which is provided by the opening of the natural convection flaps, the decay heat is given off to the water in the reactor pool after the direction of the flow has changed and an upwards directed natural convection flow has developed. At the Department for Nuclear and New Energy Systems of the Ruhr-University Bochum, Germany, a test facility has been built in order to confirm the concept of the decay heat removal in the FRM-II, to acquire data of single and two phase natural convection flows and to detect the dry out in a narrow channel. The thermohydraulics of the FRM-II are simulated by an electrically heated test section, which represents one cooling channel of the fuel element. At first experiments have been performed, which simulated the transition from forced to natural convection in the core of the FRM-II, both at normal operation and at a complete loss of the decay heat removal pumps. In case of normal operation, the transition from forced to natural convection takes place single phased. If a complete loss of the active decay heat removal system occurs, the decay heat removal is ensured by a quasi-steady two phase flow. In a second test series minimum heat flux densities leading to pressure pulsations

  10. Theory of the pulsar atmosphere. II. arbitrary magnetic and rotational axes; qualitative features

    International Nuclear Information System (INIS)

    Jackson, E.A.

    1978-01-01

    An investigation is made of the dominant guiding center motions of particles in the vacuum near-field region (r 2 ) =Ωr sin theta, which are stationary relative to the star. In general the star acquires a charge, q/sub s/(X), which ensures that the net current from the star to the nebula is zero. This charge has a major influence on both the FFS and CDS, which is determined for arbitrary q/sub s/ and x. The emission regions for electrons and ions on the surface of the star are also determined in general. Since neither this emission process nor the E x B drift can produce charge mixing, this ''magnetoelectric'' atmosphere has the unique property of being charge separated, with each component associated with a spatially distinct FFS. Assuming that all particles which reach an ''emission cylinder' 7 (or similar surface), with a radius r/sub e/ 3 B 0 /3c) cos x, where B 0 is the polar field strength and R is the stellar radius. It is found that the star will probably produce no significant particle flux to the nebula if vertical-barx - π/2vertical-bar is much greater than 5 0 , provided that r/sub e/<100 R, and that this angular range decreases roughly as r/sub e//sup -1/2/

  11. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel alpha-phenylazo- and alpha-phenylhydrazono-beta-ketosulfones.

    Science.gov (United States)

    Wolf , W M

    2001-02-01

    The crystal and molecular structures of four novel beta-ketosulfones, phenyl benzoyl(phenylhydrazono)methyl sulfone (I), phenyl benzoyl(4-nitrophenylhydrazono)methyl sulfone (II), (benzoyl)(phenyl)(phenylazo)methyl phenyl sulfone (III) and (benzoyl)(phenyl)(3-chlorophenylazo)methyl 4-tolyl sulfone (IV), have been investigated using X-ray analysis and density functional theory supplemented by ab initio Hartree-Fock calculations. The conformations of (I) and (II) are stabilized by strong intramolecular resonance-assisted hydrogen bonds formed between the sulfonyl and the alpha-hydrazono moieties. The following increase of a positive charge on the S atoms is compensated via pi-conjugation and stereoelectronic back-donation from the nearby beta-carbonyl group. Compounds (III) and (IV) adopt a strongly distorted propeller shape with pivotal tetrahedral C1 atoms. Distortion mostly follows from the approximate coplanarity of the alpha-azophenyl and alpha-phenyl moieties opposite each other. The main stereoelectronic interactions involve the donation of electron density from the alpha-azo N2 towards the sulfonyl S and the beta-carbonyl C2 atoms.

  12. The investigation of CP violation through the decay of polarized tau leptons II

    International Nuclear Information System (INIS)

    Tsai, Y.S.

    1996-05-01

    Under the assumption that CP violation is caused by exchange of anew boson, the authors propose to measure the magnitudes and CP-violating phases of the coupling constants of this boson to five different vertices in tau decay. This can be accomplished by studying the decay of polarized tau leptons produced at an e + e - collider whose beams are polarized. These five coupling constants could be used to construct a future theory of CP violation. If CP is violated in any channel of tau decay, it will imply that there exists a new charged boson other than the W boson responsible for CP violation. It will also imply that CP violation is much more prevalent than the standard theory predicts and this may enable one to understand the preponderance of matter over antimatter in the present universe

  13. A fluorescence detected magnetic resonance investigation of the carotenoid triplet states associated with Photosystem II of isolated spinach thylakoid membranes

    CERN Document Server

    Santabarbara, S; Carbonera, D; Heathcote, P

    2005-01-01

    The carotenoid triplet populations associated with the fluorescence emission chlorophyll forms of Photosystem II have been investigated in isolated spinach thylakoid membranes by means of fluorescence detected magnetic resonance in zero field (FDMR). The spectra collected in the 680-690 nm emission range, have been fitted by a global analysis procedure. At least five different carotenoid triplet states coupled to the terminal emitting chlorophyll forms of PS II, peaking at 682 nm, 687 nm and 692 nm, have been characterised. The triplets associated with the outer antenna emission forms, at 682 nm, have zero field splitting parameters D = 0.0385 cm/sup -1/, E = 0.00367 cm/sup -1/; D = 0.0404 cm/sup -1/, E = 0.00379 cm/sup -1/ and D = 0.0386 cm/sup -1/, E = 0.00406 cm/sup -1/ which are very similar to those previously reported for the xanthophylls of the isolated LHC II complex. Therefore the FDMR spectra recorded in this work provide insights into the organisation of the LHC II complex in the unperturbed enviro...

  14. Investigation of Pb(II Removal from Aqueous Solutions Using Modified Nano Zero-Valent Iron Particles

    Directory of Open Access Journals (Sweden)

    Amirhossein Ramezanpoor

    2014-05-01

    Full Text Available This research was conducted in experimental scale with the aim of investigation effect of polyacrylic acid-stabilized zero-valent iron nanoparticles (PAA-nZVI on lead removal from aqueous solution. In this regards, NZVI was synthesized with polyacrylic acid and their size and morphological characteristics were examined via X-ray diffraction (XRD, Scanning Electron Microscopy (SEM and Fourier Transmission Infrared Spectroscopy (FTIR. To study the effect of PAA-nZVI on lead removal, pH of aqueous solution, contact time, PAA-NZVI concentration  and initial Pb(II concentration were considered as variables. Furthermore, the experimental data of Pb(II  removal were fitted using three kinetic models, namely Zero-order, First-order and Second-order.The results of experiments showed that maximum Pb(II removal efficiency was observed at pH=5, 15 min contact time and 5 g/L PAA-nZVI concentration. Moreover, the results of kinetic studies indicated that among all applied kinetic models, First-order kinetic model had more better prediction than other kinetic models ofPb(II removal. Based on the results of present research, PAA-NZVI is an efficient agent to remove Pb(II from aqueous solutions.

  15. Investigation of possible observable e ects in a proposed theory of physics

    Energy Technology Data Exchange (ETDEWEB)

    Freidan, Daniel [State Univ. of New Jersey, Piscataway, NJ (United States)

    2015-03-31

    The work supported by this grant produced rigorous mathematical results on what is possible in quantum field theory. Quantum field theory is the well-established mathematical language for fundamental particle physics, for critical phenomena in condensed matter physics, and for Physical Mathematics (the numerous branches of Mathematics that have benefitted from ideas, constructions, and conjectures imported from Theoretical Physics). Proving rigorous constraints on what is possible in quantum field theories thus guides the field, puts actual constraints on what is physically possible in physical or mathematical systems described by quantum field theories, and saves the community the effort of trying to do what is proved impossible. Results were obtained in two dimensional qft (describing, e.g., quantum circuits) and in higher dimensional qft. Rigorous bounds were derived on basic quantities in 2d conformal field theories, i.e., in 2d critical phenomena. Conformal field theories are the basic objects in quantum field theory, the scale invariant theories describing renormalization group fixed points from which all qfts flow. The first known lower bounds on the 2d boundary entropy were found. This is the entropy- information content- in junctions in critical quantum circuits. For dimensions d > 2, a no-go theorem was proved on the possibilities of Cauchy fields, which are the analogs of the holomorphic fields in d = 2 dimensions, which have had enormously useful applications in Physics and Mathematics over the last four decades. This closed o the possibility of finding analogously rich theories in dimensions above 2. The work of two postdoctoral research fellows was partially supported by this grant. Both have gone on to tenure track positions.

  16. Investigation of Size-Dependency in Free-Vibration of Micro-Resonators Based on the Strain Gradient Theory

    Directory of Open Access Journals (Sweden)

    R. Vatankhah

    Full Text Available Abstract This paper investigates the vibration behavior of micro-resonators based on the strain gradient theory, a non-classical continuum theory capable of capturing the size effect appearing in micro-scale structures. The micro-resonator is modeled as a clamped-clamped micro-beam with an attached mass subjected to an axial force. The governing equations of motion and both classical and non-classical sets of boundary conditions are developed based on the strain gradient theory. The normalized natural frequency of the micro-resonator is evaluated and the influences of various parameters are assessed. In addition, the current results are compared to those of the classical and modified couple stress continuum theories.

  17. Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation Analysis.

    Science.gov (United States)

    Geitner, Robert; Götz, Stefan; Stach, Robert; Siegmann, Michael; Krebs, Patrick; Zechel, Stefan; Schreyer, Kristin; Winter, Andreas; Hager, Martin D; Schubert, Ulrich S; Gräfe, Stefanie; Dietzek, Benjamin; Mizaikoff, Boris; Schmitt, Michael; Popp, Jürgen

    2018-03-15

    The presented study reports the synthesis and the vibrational spectroscopic characterization of different matrix-embedded model photocatalysts. The goal of the study is to investigate the interaction of a polymer matrix with photosensitizing dyes and metal complexes for potential future photocatalytic applications. The synthesis focuses on a new rhodamine B derivate and a Pt(II) terpyridine complex, which both contain a polymerizable methacrylate moiety and an acid labile acylhydrazone group. The methacrylate moieties are afterward utilized to synthesize functional model hydrogels mainly consisting of poly(ethylene glycol) methacrylate units. The pH-dependent and temperature-dependent behavior of the hydrogels is investigated by means of Raman and IR spectroscopy assisted by density functional theory calculations and two-dimensional correlation spectroscopy. The spectroscopic results reveal that the Pt(II) terpyridine complex can be released from the polymer matrix by cleaving the C═N bond in an acid environment. The same behavior could not be observed in the case of the rhodamine B dye although it features a comparable C═N bond. The temperature-dependent study shows that the water evaporation has a significant influence neither on the molecular structure of the hydrogel nor on the model photocatalytic moieties.

  18. Investigation of fourth sound propagation in HeII in the presence of superflow

    International Nuclear Information System (INIS)

    Andrei, Y.E.

    1980-01-01

    The temperature dependence of a superflow-induced downshift of the fourth sound velocity in HeII confined in various restrictive media was measured. We found that the magnitude of the downshift strongly depends on the restrictive medium, whereas the temperature dependence is universal. The results are interpreted in terms of local superflow velocities approaching the Landau critical velocity. This model provides and understanding of the nature of the downshift and correctly predicts temperature dependence. The results show that the Landau excitation model, even when used at high velocities, where interactions between elementary excitations are substantial, hield good agreement with experiment when a first order correction is introduced to account for these interactions. In a separate series of experiments, fourth sound-like propagation in HeII in a grafoil-filled resonator was observed. The sound velocity was found to be more than an order of magnitude smaller than that of ordinary fourth sound. This significant reduction is explained in terms of a model in which the pore structure in grafoil is pictured as an ensemble of coupled Helmholz resonators

  19. Ab Initio investigation of chloroaqualead (II) complexes as possible corrosion products in Super Critical Water Cooled Reactor (SCWR)

    Energy Technology Data Exchange (ETDEWEB)

    Anzelj, D.; Pye, C.C., E-mail: diki1979@hotmail.com, E-mail: cory.pye@smu.ca [Saint Mary' s University, Halifax, NS (Canada)

    2015-07-01

    One of the undesirable processes hindering development of Generation IV SCWR is the possibility of corrosion of construction material. Formation of corrosion products such as metal-ligand complexes is poorly understood both experimentally and computationally. It is essential to predict and control its water chemistry to ensure sustainability of SCWR. Pressurized and heated solutions are challenging for experimental research; computational method becomes an important research tool. A series of ab initio calculations of chloroaqualead (II) complexes have been performed at HF, MP2 and B3LYP levels of theory with CEP-121G, LANL2DZ, SDD basis sets for Pb and 6-31G*, 6-31+G*, 6-311+G* for water. (author)

  20. Ab Initio investigation of chloroaqualead (II) complexes as possible corrosion products in Super Critical Water Cooled Reactor (SCWR)

    International Nuclear Information System (INIS)

    Anzelj, D.; Pye, C.C.

    2015-01-01

    One of the undesirable processes hindering development of Generation IV SCWR is the possibility of corrosion of construction material. Formation of corrosion products such as metal-ligand complexes is poorly understood both experimentally and computationally. It is essential to predict and control its water chemistry to ensure sustainability of SCWR. Pressurized and heated solutions are challenging for experimental research; computational method becomes an important research tool. A series of ab initio calculations of chloroaqualead (II) complexes have been performed at HF, MP2 and B3LYP levels of theory with CEP-121G, LANL2DZ, SDD basis sets for Pb and 6-31G*, 6-31+G*, 6-311+G* for water. (author)

  1. Optical investigations and control of spindynamics in Mn doped II-VI quantum dots; Optische Untersuchung und Kontrolle der Spindynamik in Mn dotierten II-VI Quantenpunkten

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, Thomas

    2009-05-13

    The present thesis deals with the spin of charge carriers confined in CdSe/ZnSe quantum dots (QDs) closely linked to the polarization of emitted photons. II-VI material systems can be adequately mixed with the B-group element manganese. Such semimagnetic nanostructures offer a number of characteristic optical and electronic features. This is caused by an exchange interaction between the spin of optically excited carriers and the 3d electrons of the Mn ions. Within the framework of this thesis addressing of well defined spin states was realized by optical excitation of charge carriers. The occupation of different spin states was detected by the degree of polarization of the emitted photoluminescence (PL) light. For that purpose different optical methods of time-resolved and time-integrated spectroscopy as well as investigations in magnetic fields were applied. (orig.)

  2. Strong copper(II) species in estuarine and sea waters investigated by a method with high detection window.

    Science.gov (United States)

    Alberti, Giancarla; Biesuz, Raffaela; D'Agostino, Girolamo; Scarponi, Giuseppe; Pesavento, Maria

    2007-02-15

    The distribution of copper(II) in species of different stability in some estuarine and sea water samples (Adriatic Sea) was investigated by a method based on the sorption of the metal ion on a strongly sorbing resin, Chelex 100, whose sorbing properties have been previously characterized. From them, it is possible to predict very high values of detection windows at the considered conditions, for example side reaction coefficient as high as 10(10) at pH 7.5. Strong copper(II) species in equilibrium with Chelex 100 were detected, at concentration 2-20nM, with a reaction coefficient approximately 10(10.6) at pH 7.45 in sea water, strictly depending on the acidity. They represent 50-70% of the total metal ion and are the strongest copper(II) complexes found in sea water. Weak complexes too were detected in all the samples, with reaction coefficient lower than ca. 10(9) at the same pH. The method applied, named resin titration (RT), was described in a previous investigation, and is here modified in order to be carried out on oceanographic boat during a cruise in the Adriatic Sea.

  3. Internationalisation theory and technological accumulation - an investigation of multinational affiliates in East Germany

    OpenAIRE

    Jindra, Bjorn

    2010-01-01

    This dissertation applies the theory of technology accumulation to explain the internationalisation of foreign and West German multinational enterprises (MNEs) into East Germany. This theory shifts the focus from technology transfer to the international diffusion of innovation within the MNE. It rejects the position that all MNEs offer the same technological opportunities to host economies. Yet, most of the existing empirical research on postcommunist transition economies including East Germa...

  4. The Price Is Right, but Are the Bids? An Investigation of Rational Decision Theory.

    OpenAIRE

    Berk, Jonathan B; Hughson, Eric; Vandezande, Kirk

    1996-01-01

    The television game show The Price Is Right is used as a laboratory to conduct a preference-free test of rational decision theory in an environment with substantial economic incentives. It is found that contestants' strategies are transparently suboptimal. In response to this evidence, simple rules of thumb are developed that are shown to explain observed bidding patterns better than rational decision theory. Further, learning during the show reduces the frequency of strategic errors. This is...

  5. Investigating uncertainty and emotions in conversations about family health history: a test of the theory of motivated information management.

    Science.gov (United States)

    Rauscher, Emily A; Hesse, Colin

    2014-01-01

    Although the importance of being knowledgeable of one's family health history is widely known, very little research has investigated how families communicate about this important topic. This study investigated how young adults seek information from parents about family health history. The authors used the Theory of Motivated Information Management as a framework to understand the process of uncertainty discrepancy and emotion in seeking information about family health history. Results of this study show the Theory of Motivated Information Management to be a good model to explain the process young adults go through in deciding to seek information from parents about family health history. Results also show that emotions other than anxiety can be used with success in the Theory of Motivated Information Management framework.

  6. Experimental investigation of edge sheared flow development and configuration effects in the TJ-II stellarator

    Energy Technology Data Exchange (ETDEWEB)

    Pedrosa, M. A.; Hidalgo, C.; Alonso, A.; Calderon, E.; Orozco, R. O.; Pablos, J. L. de

    2005-07-01

    It is well known the importance of the shear as a stabilizing mechanism to control plasma fluctuations in magnetically confined plasmas [1]. It has been clearly established that Ex B shear stabilization mechanisms are an important piece for the improvement of confinement on fusion devices. In particular both edge and core transport barriers are related to a large increase in the Ex B sheared flow. As a consequence clarifying the driving mechanisms of sheared flow in fusion plasmas is a main issue. The existence of parallel and perpendicular sheared flows at the plasma edge, and the interplay between them in different plasma conditions has been studied in the TJ-II [2]. Recent experiments carried out by means of different approaches in the TJ-II stellarator have shown that the generation of spontaneous edge perpendicular sheared flow can be externally controlled by means of plasma density with good reproducibility and reliability [3, 4]. Although experimentally the plasma density has been used as an external control knob, it would be more appropriate to characterize experimental results in terms of edge plasma gradient (e.g. ion saturation current gradient) [3]. It has also been found that there exists a coupling between the onset of sheared flow development and an increase in the level of plasma edge turbulence; once sheared flow is fully developed the level of fluctuations and turbulent transport slightly decreases whereas edge gradients and plasma density increase. It has been experimentally established that the minimum plasma density (or/and minimum level of plasma turbulence) essential for the development of the shear layer depends on the plasma magnetic configuration [5, 6]. For some plasma magnetic configurations with high iota value a sheared flow-induced regime with characteristics resembling those of an improved confinement one has been found. The similarity in the structure of the velocity shear layer and in the turbulence characteristics [7] in different

  7. Saturn - lord of the rings. [Pioneer II investigation of Saturn reviewed

    Energy Technology Data Exchange (ETDEWEB)

    Hunt, G [University Coll., London (UK); Burgess, E

    1979-12-13

    Much new information has been obtained about Saturn and its system of rings by the spacecraft Pioneer II. One of the major discoveries was that Saturn has a magnetic field whose axis was found to correspond almost exactly with the axis of rotation of the planet. The planet was also found to be surrounded by belts of trapped energetic particles (radiation belts) which are effected by the planet's rings. It was not only discovered that Saturn has at least 10 satellites but also new information was provided by Pioneer about the Planet's ring system that would have been impossible to obtain from Earth-based observations. Analysis of Saturn's gravitational field, coupled with a temperature profile calculated from infrared measurements of the heat emitted by the clouds in excess of that received from the Sun, has allowed a new view of the interior of the planet to be developed.

  8. Investigating Business Schools' Intentions about Offering E-Commerce Education Using an Extended Theory of Planned Behavior

    Science.gov (United States)

    Dodor, Jean Baptiste K.; Rana, Dharam S.

    2009-01-01

    This study investigates business schools' intentions about offering e-commerce education (ECE) using an extended theory of planned behavior (ETPB). The need for an adequate match between future supply and demand of e-commerce skills constitutes the main motivation for the study. The results show that most business schools consider ECE important…

  9. Guidelines for conducting bulletproof workplace investigations: Part II--searches, surveillance, and other legal issues.

    Science.gov (United States)

    Koen, Clifford M; Mitchell, Michael S

    2012-01-01

    A proper and thorough investigation can help avoid or successfully defend lawsuits. When conducting workplace investigations, employers must take care to conduct reasonable searches and not violate employees' rights to privacy. This article addresses privacy and other legal issues surrounding the use of various types of electronic surveillance including wiretapping, video/photography, and monitoring of e-mail. While conducting such searches, employers must be vigilant in their efforts to avoid liability for defamation and to properly document the investigation. Guidance is provided on these issues along with advice on the recommendation and/or remedial action that may result from the investigation and a checklist of additional considerations when conducting investigations resulting from harassment.

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

    Science.gov (United States)

    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.

  11. Investigating the Perceptions of Care Coordinators on Using Behavior Theory-Based Mobile Health Technology With Medicaid Populations: A Grounded Theory Study.

    Science.gov (United States)

    Sigler, Brittany Erika

    2017-03-21

    Medicaid populations are less engaged in their health care than the rest of the population, translating to worse health outcomes and increased health care costs. Since theory-based mobile health (mHealth) interventions have been shown to increase patient engagement, mobile phones may be an optimal strategy to reach this population. With increased development of theory-based mHealth technology, these interventions must now be evaluated with these medically underserved populations in a real-world setting. The aim of our study was to investigate care coordinators' perceived value of using a health behavior theory-based mHealth platform with Medicaid clients. In particular, attention was paid to the perceived impact on patient engagement. This research was conducted using the patient-provider text messaging (short message service, SMS) platform, Sense Health (now Wellpass), which integrates the transtheoretical model (TTM), also called the stages of change model; social cognitive theory (SCT); supportive accountability; and motivational interviewing (MI). Interviews based in grounded theory methodology were conducted with 10 care managers to understand perceptions of the relationship between mHealth and patient engagement. The interviews with care managers yielded a foundation for a grounded theory model, presenting themes that suggested 4 intertwined correlative relationships revolving around patient engagement: (1) A text messaging (short message service, SMS) platform supplements the client-care manager dynamic, which is grounded in high quality, reciprocal-communication to increase patient engagement; (2) Texting enhances the relationship between literacy and access to care for Medicaid patients, increasing low-literacy patients' agency to access services; (3) Texting enhances communication, providing care managers with a new means to support their clients; and (4) Reminders augment client accountability, leading to both increased motivation and readiness to change

  12. Actor Network Theory Approach and its Application in Investigating Agricultural Climate Information System

    Directory of Open Access Journals (Sweden)

    Maryam Sharifzadeh

    2013-03-01

    Full Text Available Actor network theory as a qualitative approach to study complex social factors and process of socio-technical interaction provides new concepts and ideas to understand socio-technical nature of information systems. From the actor network theory viewpoint, agricultural climate information system is a network consisting of actors, actions and information related processes (production, transformation, storage, retrieval, integration, diffusion and utilization, control and management, and system mechanisms (interfaces and networks. Analysis of such systemsembody the identification of basic components and structure of the system (nodes –thedifferent sources of information production, extension, and users, and the understanding of how successfully the system works (interaction and links – in order to promote climate knowledge content and improve system performance to reach agricultural development. The present research attempted to introduce actor network theory as research framework based on network view of agricultural climate information system.

  13. Using prospect theory to investigate the low value of travel time for small time changes

    DEFF Research Database (Denmark)

    Hjorth, Katrine; Fosgerau, Mogens

    A common finding in stated preference studies that measure the value of travel time (VTT), is that the measured per-minute VTT increases with the size of the time change considered, in conflict with standard neoclassical theory. The current paper tests prospect theory as a possible explanation......: More specifically, whether the phenomenon is generated by preferences being reference-dependent and exhibiting diminishing sensitivity for gains and losses, with a stronger degree of diminishing sensitivity for money than for travel time. We use stated preference data with trade-offs between travel...... time and money that pro- vide identification of the degrees of diminishing sensitivity for time and money gains and losses, thus enabling us to test and potentially falsify the prospect theory explanation. We apply a discrete choice model, in which choice depends on a reference-free value of travel...

  14. Improved numerical methods for quantum field theory (Outstanding junior investigator award)

    International Nuclear Information System (INIS)

    Sokal, A.D.

    1992-01-01

    We are developing new and more efficient numerical methods for problems in quantum field theory. Our principal goal is to achieve radical reductions in critical slowing-down. We are concentrating at present on three new families of algorithms: multi-grid Monte Carlo, Swendsen-Wang and generalized Wolff-type embedding algorithms. In addition, we are making a high-precision numerical study of the hyperscaling conjecture for the self-avoiding walk, which is closely related to the triviality problem for var-phi 4 quantum field theory

  15. Improved numerical methods for quantum field theory (Outstanding junior investigator award)

    International Nuclear Information System (INIS)

    Sokal, A.D.

    1993-01-01

    We are developing new and more efficient numerical methods for problems in quantum field theory. Our principal goal is to achieve radical reductions in critical slowing-down. We are concentrating at present on three new families of algorithms: multi-grid Monte Carlo (MGMC), Swendsen-Wang (SW) and generalized Wolff-type embedding algorithms. In addition, we are making a high-precision numerical study of the hyperscaling conjecture for the self-avoiding walk, which is closely related to the triviality problem for var-phi 4 quantum field theory

  16. Using prospect theory to investigate the low marginal value of travel time for small time changes

    DEFF Research Database (Denmark)

    Hjorth, Katrine; Fosgerau, Mogens

    2012-01-01

    A common finding in stated preference studies that measure the value of travel time (VTT) is that the measured VTT increases with the size of the time change considered, in conflict with standard neoclassical economic theory. We present a new test of a possible explanation for the phenomenon...... that builds on the diminishing or constant sensitivity of the value functions in prospect theory.We use stated preference data with trade-offs between travel time and money that provide separate identification of the degrees of diminishing sensitivity for time and money gains and losses. This enables us...

  17. Synthesis and characterization of ultrasound assisted “graphene oxide–magnetite” hybrid, and investigation of its adsorption properties for Sr(II) and Co(II) ions

    Energy Technology Data Exchange (ETDEWEB)

    Tayyebi, Ahmad; Outokesh, Mohammad, E-mail: Outokesh@sharif.edu; Moradi, Shahab; Doram, Amir

    2015-10-30

    Graphical abstract: - Highlights: • Narrow size magnetite NPs were synthesized by ultrasound assisted coprecipitaion method. • A formation mechanism for deposition of magnetite NPs on graphene oxide is proposed. • The formation mechanism supported using X-ray photoelectron spectroscopy analysis. • The modified Langevin equation was used for size estimation of magnetite NPs on M–GO. • Adsorption properties of M–GO for Co(II) and Sr(II) were investigated. - Abstract: Magnetite nanoparticles with a size distribution of 15–21 nm were synthesized and decorated onto surface of graphene oxide by ultrasound assisted precipitation. Size and size distribution of the obtained M–GO hybrid were appreciably finer than the hybrids prepared by stirring method. M–GO is a superparamagnetic material with saturation magnetization of 31 emu g{sup −1}. The Langevin equation was successfully applied for estimation of size of Fe{sub 3}O{sub 4} nanoparticles in M–GO hybrid, with maximum error of 17.5%. The study put forward a formation mechanism for M–GO, based on instrumental analyses. Adsorption isotherms of Sr{sup 2+} and Co{sup 2+} ions, which were fitted by Langmuir monolayer model, displayed two-fold higher capacity for Co{sup 2+} ions, presumably due to its similarity to Fe{sup 2+} (of Fe{sub 3}O{sub 4} component). Uptake of both Co{sup 2+} and Sr{sup 2+} ions were endothermic, and spontaneous, however the former proceeded through inner-shell complex formation, while the latter took place via ion exchange mechanism. Rate of adsorption of Co{sup 2+} was faster, but for both ions, chemical reaction was the rate determining step. Sorption of Sr{sup 2+} and Co{sup 2+} ions greatly increased at pHs above 5, where (1) surface zeta potential changed its sign, and (2) deprotonating reactions at the surface became complete.

  18. Liquid-crystalline dendrimer Cu(II) complexes and Cu(0) nanoclusters based on the Cu(II) complexes: An electron paramagnetic resonance investigation

    Science.gov (United States)

    Domracheva, N. E.; Mirea, A.; Schwoerer, M.; Torre-Lorente, L.; Lattermann, G.

    2007-07-01

    New nanostructured materials, namely, the liquid-crystalline copper(II) complexes that contain poly(propylene imine) dendrimer ligands of the first (ligand 1) and second (ligand 2) generations and which have a columnar mesophase and different copper contents (x = Cu/L), are investigated by EPR spectroscopy. The influence of water molecules and nitrate counterions on the magnetic properties of complex 2 (x = 7.3) is studied. It is demonstrated that water molecules can extract some of the copper ions from dendrimer complexes and form hexaaqua copper complexes with free ions. The dimer spectra of fully hydrated complex 2 (x = 7.3) are observed at temperatures T dendrimer copper(II) complex. The temperature-induced valence tautomerism attended by electron transport is revealed for the first time in blue dendrimer complexes 1 (x = 1.9) with a dimer structure. The activation energy for electron transport is estimated to be 0.35 meV. The coordination of the copper ion site (NO4) and the structural arrangement of green complexes 1 (x = 1.9) in the columnar mesophase are determined. Complexes of this type form linear chains in which nitrate counterions serve as bridges between copper centers. It is revealed that green complexes 1 (x = 1.9) dissolved in isotropic inert solvents can be oriented in the magnetic field (B 0 = 8000 G). The degree of orientation of these complexes is rather high (S z = 0.76) and close to that of systems with a complete ordering (S z = 1) in the magnetic field. Copper(0) nanoclusters prepared by reduction of complex 2 (x = 7.3) in two reducing agents (NaBH4, N2H4 · H2O) are examined. A model is proposed for a possible location of Cu(0) nanoclusters in a dendrimer matrix.

  19. Anticipative Criminal Investigation : Theory and Counterterrorism Practice in the Netherlands and the United States

    NARCIS (Netherlands)

    Hirsch Ballin, M.F.H.

    2012-01-01

    The book assesses the adoption of counterterrorism measures in the Netherlands and the United States, which facilitate criminal investigations with a preventive focus (anticipative criminal investigations), from the perspective of rule of law principles. Anticipative criminal investigation has

  20. Investigation of HV/HR-CMOS technology for the ATLAS Phase-II Strip Tracker Upgrade

    International Nuclear Information System (INIS)

    Fadeyev, V.; Galloway, Z.; Grabas, H.; Grillo, A.A.; Liang, Z.; Martinez-Mckinney, F.; Seiden, A.; Volk, J.; Affolder, A.; Buckland, M.; Meng, L.; Arndt, K.; Bortoletto, D.; Huffman, T.; John, J.; McMahon, S.; Nickerson, R.; Phillips, P.; Plackett, R.; Shipsey, I.

    2016-01-01

    ATLAS has formed strip CMOS project to study the use of CMOS MAPS devices as silicon strip sensors for the Phase-II Strip Tracker Upgrade. This choice of sensors promises several advantages over the conventional baseline design, such as better resolution, less material in the tracking volume, and faster construction speed. At the same time, many design features of the sensors are driven by the requirement of minimizing the impact on the rest of the detector. Hence the target devices feature long pixels which are grouped to form a virtual strip with binary-encoded z position. The key performance aspects are radiation hardness compatibility with HL-LHC environment, as well as extraction of the full hit position with full-reticle readout architecture. To date, several test chips have been submitted using two different CMOS technologies. The AMS 350 nm is a high voltage CMOS process (HV-CMOS), that features the sensor bias of up to 120 V. The TowerJazz 180 nm high resistivity CMOS process (HR-CMOS) uses a high resistivity epitaxial layer to provide the depletion region on top of the substrate. We have evaluated passive pixel performance, and charge collection projections. The results strongly support the radiation tolerance of these devices to radiation dose of the HL-LHC in the strip tracker region. We also describe design features for the next chip submission that are motivated by our technology evaluation.

  1. Investigation of HV/HR-CMOS technology for the ATLAS Phase-II Strip Tracker Upgrade

    Science.gov (United States)

    Fadeyev, V.; Galloway, Z.; Grabas, H.; Grillo, A. A.; Liang, Z.; Martinez-Mckinney, F.; Seiden, A.; Volk, J.; Affolder, A.; Buckland, M.; Meng, L.; Arndt, K.; Bortoletto, D.; Huffman, T.; John, J.; McMahon, S.; Nickerson, R.; Phillips, P.; Plackett, R.; Shipsey, I.; Vigani, L.; Bates, R.; Blue, A.; Buttar, C.; Kanisauskas, K.; Maneuski, D.; Benoit, M.; Di Bello, F.; Caragiulo, P.; Dragone, A.; Grenier, P.; Kenney, C.; Rubbo, F.; Segal, J.; Su, D.; Tamma, C.; Das, D.; Dopke, J.; Turchetta, R.; Wilson, F.; Worm, S.; Ehrler, F.; Peric, I.; Gregor, I. M.; Stanitzki, M.; Hoeferkamp, M.; Seidel, S.; Hommels, L. B. A.; Kramberger, G.; Mandić, I.; Mikuž, M.; Muenstermann, D.; Wang, R.; Zhang, J.; Warren, M.; Song, W.; Xiu, Q.; Zhu, H.

    2016-09-01

    ATLAS has formed strip CMOS project to study the use of CMOS MAPS devices as silicon strip sensors for the Phase-II Strip Tracker Upgrade. This choice of sensors promises several advantages over the conventional baseline design, such as better resolution, less material in the tracking volume, and faster construction speed. At the same time, many design features of the sensors are driven by the requirement of minimizing the impact on the rest of the detector. Hence the target devices feature long pixels which are grouped to form a virtual strip with binary-encoded z position. The key performance aspects are radiation hardness compatibility with HL-LHC environment, as well as extraction of the full hit position with full-reticle readout architecture. To date, several test chips have been submitted using two different CMOS technologies. The AMS 350 nm is a high voltage CMOS process (HV-CMOS), that features the sensor bias of up to 120 V. The TowerJazz 180 nm high resistivity CMOS process (HR-CMOS) uses a high resistivity epitaxial layer to provide the depletion region on top of the substrate. We have evaluated passive pixel performance, and charge collection projections. The results strongly support the radiation tolerance of these devices to radiation dose of the HL-LHC in the strip tracker region. We also describe design features for the next chip submission that are motivated by our technology evaluation.

  2. Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks

    Science.gov (United States)

    Singh, Sandeep K.; Srivastava, Ashish Kumar; Srivastava, Krishna; Banerjee, Rahul; Prasad, Jagdish

    2017-11-01

    Two mixed-ligand copper(II)-organic coordination compounds with 5,5‧-dimethyl-2,2‧-bipyridine (5,5‧-Me2bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5‧-Me2bpy)(H2O)](ClO4) 1 and [Cu2(2-OHNA)2(5,5‧-Me2bpy)2(NO3)](NO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi-reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase.

  3. Investigation of HV/HR-CMOS technology for the ATLAS Phase-II Strip Tracker Upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Fadeyev, V., E-mail: fadeyev@ucsc.edu [Santa Cruz Institute for Particle Physics, University of California, Santa Cruz, CA 95064 (United States); Galloway, Z.; Grabas, H.; Grillo, A.A.; Liang, Z.; Martinez-Mckinney, F.; Seiden, A.; Volk, J. [Santa Cruz Institute for Particle Physics, University of California, Santa Cruz, CA 95064 (United States); Affolder, A.; Buckland, M.; Meng, L. [Department of Physics, University of Liverpool, O. Lodge Laboratory, Oxford Street, Liverpool L69 7ZE (United Kingdom); Arndt, K.; Bortoletto, D.; Huffman, T.; John, J.; McMahon, S.; Nickerson, R.; Phillips, P.; Plackett, R.; Shipsey, I. [Department of Physics, Oxford University, Oxford (United Kingdom); and others

    2016-09-21

    ATLAS has formed strip CMOS project to study the use of CMOS MAPS devices as silicon strip sensors for the Phase-II Strip Tracker Upgrade. This choice of sensors promises several advantages over the conventional baseline design, such as better resolution, less material in the tracking volume, and faster construction speed. At the same time, many design features of the sensors are driven by the requirement of minimizing the impact on the rest of the detector. Hence the target devices feature long pixels which are grouped to form a virtual strip with binary-encoded z position. The key performance aspects are radiation hardness compatibility with HL-LHC environment, as well as extraction of the full hit position with full-reticle readout architecture. To date, several test chips have been submitted using two different CMOS technologies. The AMS 350 nm is a high voltage CMOS process (HV-CMOS), that features the sensor bias of up to 120 V. The TowerJazz 180 nm high resistivity CMOS process (HR-CMOS) uses a high resistivity epitaxial layer to provide the depletion region on top of the substrate. We have evaluated passive pixel performance, and charge collection projections. The results strongly support the radiation tolerance of these devices to radiation dose of the HL-LHC in the strip tracker region. We also describe design features for the next chip submission that are motivated by our technology evaluation.

  4. Quantum efficiency investigations of type-II InAs/GaSb midwave infrared superlattice photodetectors

    Energy Technology Data Exchange (ETDEWEB)

    Giard, E., E-mail: edouard.giard@onera.fr; Ribet-Mohamed, I.; Jaeck, J.; Viale, T.; Haïdar, R. [ONERA, DOTA, Chemin de la Hunière, 91761 Palaiseau Cedex (France); Taalat, R.; Delmas, M.; Rodriguez, J.-B.; Christol, P. [Institut d' Electronique du Sud, UMR-CNRS 5214, Université Montpellier 2, Place Eugène Bataillon, 34095 Montpellier Cedex 5 (France); Steveler, E.; Bardou, N. [Laboratoire de Photonique et de Nanostructures (LPN-CNRS), Route de Nozay, 91460 Marcoussis (France); Boulard, F. [CEA, LETI, MINATEC Campus, 17 Avenue des martyrs, 38054 Grenoble (France)

    2014-07-28

    We present in this paper a comparison between different type-II InAs/GaSb superlattice (T2SL) photodiodes and focal plane array (FPA) in the mid-wavelength infrared domain to understand which phenomenon drives the performances of the T2SL structure in terms of quantum efficiency (QE). Our measurements on test photodiodes suggest low minority carrier diffusion length in the “InAs-rich” design, which penalizes carriers' collection in this structure for low bias voltage and front side illumination. This analysis is completed by a comparison of the experimental data with a fully analytic model, which allows to infer a hole diffusion length shorter than 100 nm. In addition, measurements on a FPA with backside illumination are finally presented. Results show an average QE in the 3–4.7 μm window equal to 42% for U{sub bias} = −0.1 V, 77 K operating temperature and no anti-reflection coating. These measurements, completed by modulation transfer function and noise measurements, reveal that the InAs-rich design, despite a low hole diffusion length, is promising for high performance infrared imaging applications.

  5. 6d N=(1,0) theories on S{sup 1}/T{sup 2} and class S theories: part II

    Energy Technology Data Exchange (ETDEWEB)

    Ohmori, Kantaro; Shimizu, Hiroyuki [Department of Physics, Faculty of Science, University of Tokyo,Bunkyo-ku, Tokyo 133-0022 (Japan); Tachikawa, Yuji [Department of Physics, Faculty of Science, University of Tokyo,Bunkyo-ku, Tokyo 133-0022 (Japan); Institute for the Physics and Mathematics of the Universe, University of Tokyo,Kashiwa, Chiba 277-8583 (Japan); Yonekura, Kazuya [Institute for the Physics and Mathematics of the Universe, University of Tokyo,Kashiwa, Chiba 277-8583 (Japan); School of Natural Sciences, Institute for Advanced Study,Princeton, NJ 08540 (United States)

    2015-12-21

    We study the T{sup 2} compactification of a class of 6d N=(1,0) theories that is Higgsable to N=(2,0) theories. We show that the resulting 4d N=2 theory at the origin of the Coulomb branch and the parameter space is generically given by two superconformal matter sectors coupled by an infrared-free gauge multiplet and another conformal gauge multiplet. Our analysis utilizes the 5d theories obtained by putting the same class of 6d theories on S{sup 1}. Our class includes, among others, the 6d theories describing multiple M5 branes on an ALE singularity, and we analyze them in detail. The resulting 4d theory has manifestly both the SL(2,ℤ) and the full flavor symmetry. We also discuss in detail the special cases of 6d theories where the infrared-free gauge multiplet is absent. In an appendix, we give a field-theoretical argument for an F-theoretic constraint that forbids a particular 6d anomaly-free matter content, as an application of our analysis.

  6. New Pyrazole-Hydrazone Derivatives: X-ray Analysis, Molecular Structure Investigation via Density Functional Theory (DFT) and Their High In-Situ Catecholase Activity.

    Science.gov (United States)

    Karrouchi, Khalid; Yousfi, El Bekkaye; Sebbar, Nada Kheira; Ramli, Youssef; Taoufik, Jamal; Ouzidan, Younes; Ansar, M'hammed; Mabkhot, Yahia N; Ghabbour, Hazem A; Radi, Smaail

    2017-10-25

    The development of low-cost catalytic systems that mimic the activity of tyrosinase enzymes (Catechol oxidase) is of great promise for future biochemistry technologic demands. Herein, we report the synthesis of new biomolecules systems based on hydrazone derivatives containing a pyrazole moiety ( L1 - L6 ) with superior catecholase activity. Crystal structures of L1 and L2 biomolecules were determined by X-ray single crystal diffraction (XRD). Optimized geometrical parameters were calculated by density functional theory (DFT) at B3LYP/6-31G (d, p) level and were found to be in good agreement with single crystal XRD data. Copper (II) complexes of the compounds ( L1 - L6 ), generated in-situ, were investigated for their catalytic activities towards the oxidation reaction of catechol to ortho -quinone with the atmospheric dioxygen, in an attempt to model the activity of the copper containing enzyme tyrosinase. The studies showed that the activities depend on four parameters: the nature of the ligand, the nature of counter anion, the nature of solvent and the concentration of ligand. The Cu(II)-ligands, given here, present the highest catalytic activity (72.920 μmol·L -1 ·min -1 ) among the catalysts recently reported in the existing literature.

  7. Behavioural investigations into uncertainty perception in service exchanges: Lessons from dual-processing theory

    DEFF Research Database (Denmark)

    Kreye, Melanie

    2015-01-01

    by experience and knowledge. Based on dual-processing theory, this paper proposes an analysis method for assessing both explicit and implicit uncertainty perception depending on the individual’s use of tacit or explicit knowledge. Analysing two industrial case studies of service relationships, this paper...

  8. Aggregating imprecise or conflicting beliefs: An experimental investigation using modern ambiguity theories

    NARCIS (Netherlands)

    A. Baillon (Aurélien); L. Cabantous (Laure); P.P. Wakker (Peter)

    2012-01-01

    textabstractTwo experiments show that violations of expected utility due to ambiguity, found in general decision experiments, also affect belief aggregation. Hence we use modern ambiguity theories to analyze belief aggregation, thus obtaining more refined and empirically more valid results than

  9. Using IBMs to Investigate Spatially-dependent Processes in Landscape Genetics Theory

    Science.gov (United States)

    Much of landscape and conservation genetics theory has been derived using non-spatialmathematical models. Here, we use a mechanistic, spatially-explicit, eco-evolutionary IBM to examine the utility of this theoretical framework in landscapes with spatial structure. Our analysis...

  10. A conceptual perspective for investigating motive in cultural-historical theory

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2012-01-01

    This chapter provides a brief discussion of the other chapters in this edited volume, and then presents a brief introduction to the concept of motive within cultural-historical theory. This discussion includes a discussion of why the concept is needed, the ontological shift in the explanatory log...

  11. Investigating Separate and Concurrent Approaches for Item Parameter Drift in 3PL Item Response Theory Equating

    Science.gov (United States)

    Arce-Ferrer, Alvaro J.; Bulut, Okan

    2017-01-01

    This study examines separate and concurrent approaches to combine the detection of item parameter drift (IPD) and the estimation of scale transformation coefficients in the context of the common item nonequivalent groups design with the three-parameter item response theory equating. The study uses real and synthetic data sets to compare the two…

  12. Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics.

    Science.gov (United States)

    Hayakawa, Daichi; Nishiyama, Yoshiharu; Mazeau, Karim; Ueda, Kazuyoshi

    2017-09-08

    Crystal models of cellulose Iβ and II, which contain various hydrogen bonding (HB) networks, were analyzed using density functional theory and Car-Parrinello molecular dynamics (CPMD) simulations. From the CPMD trajectories, the power spectra of the velocity correlation functions of hydroxyl groups involved in hydrogen bonds were calculated. For the Iβ allomorph, HB network A, which is dominant according to the neutron diffraction data, was stable, and the power spectrum represented the essential features of the experimental IR spectra. In contrast, network B, which is a minor structure, was unstable because its hydroxymethyl groups reoriented during the CPMD simulation, yielding a different crystal structure to that determined by experiments. For the II allomorph, a HB network A is proposed based on diffraction data, whereas molecular modeling identifies an alternative network B. Our simulations showed that the interaction energies of the cellulose II (B) model are slightly more favorable than model II(A). However, the evaluation of the free energy should be waited for the accurate determination from the energy point of view. For the IR calculation, cellulose II (B) model reproduces the spectra better than model II (A). Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Investigations on the renormalizability of a non-commutative u(1) gauge theory

    International Nuclear Information System (INIS)

    Rofner, A.

    2009-01-01

    When considering very small scales near the Planck-length, or equivalently very high energies (far from being reached by today's particle accelerators), space-time is expected to be quantized. Today, all but one forces governing nature (i.e. gravitation) are described via Quantum Field Theories (short QFTs) and more precisely gauge field theories (GFTs). Their heart is the art of renormalization, which allows to handle the divergences for high internal momenta appearing in the course of the perturbative development of the action in a consistent manner. Over the last years numerous attempts have been made to formulate consistent and renormalizable theories also on non-commutative spaces. Yet, it is the latter that represents a major problem for non-commutative QFTs: generally, the non-commutativity is implemented via the so-called star product, which in the simplest case is given by the Moyal-Weyl product, and which leads to a modification of the interaction terms of the theories by introducing additional phase factors depending on the non-commutative parameter theta. Then, this phase leads to a mixing of high and low energies, which is directly linked to the appearance of a new class of divergences for small momenta. While there exist various traditional renormalization schemes in order to handle uV divergences, their counterparts in the IR sector form a major obstacle in formulating consistent non-commutative QFTs. However, a first way out of this misery could be achieved by Grosse and Wulkenhaar for a scalar model. The idea was to add a suitable term to the action, in their case an oscillator term, leading to a decoupling of the high and low energy sectors. Later, the same philosophy has been followed by Gurau et. al. by adding a 1/p 2 like term to the scalar action. Both models have been shown to be renormalizable, and additionally, the latter model leads to a translation invariant propagator, which implies momentum conservation in all space points. Now, the

  14. Investigation of some formal aspects of the boson expansion technique in nuclear theory

    International Nuclear Information System (INIS)

    Pedrocchi, V.G.

    1982-01-01

    The use of the boson expansion theory (BET) in nuclear physics now has about twenty years history, and a large number of papers is available in the literature. Some of them emphasize BET's practical use, successfully showing that it is in fact a very powerful, practical tool to understand the collective properties in nuclei. Others, on the other hand, concentrated more on formal aspects of the BET, and it is these formal aspects we deal with in this dissertation. The BET is not unique, and thus a variety of methods has been proposed. It was felt that it was desirable to see whether they were in fact different theories, or the difference was only apparent. Actually, at the surface, many theories look different from each other, having various merits and demerits. However, it is possible that they are more closely related than they appear; and, if so, it may be attempted to unify them in such a way that a new BET can be constructed which embodies all the merits of the various theories that have been known so far. With this goal in mind, every detailed comparison of two methods was explored: the commutator method (CM) and the Marumori-Yamamura-Tokunaga (MYT) method, which have been discussed most popularly in the past, though often with controversy. It was found that they are, in fact, equivalent theories if looked at from a particular point of view, although they are not necessarily exactly the same in every aspect. Similar comparison was also made with the generalized Holstein-Primakoff (GHP) and the Dyson methods

  15. MarsSedEx I and II: Experimental investigation of gravity effects on sedimentation on Mars

    Science.gov (United States)

    Kuhn, N. J.; Kuhn, B.; Gartmann, A.

    2014-12-01

    Sorting of sedimentary rocks is a proxy for the environmental conditions at the time of deposition, in particular the runoff that moved and deposited the material forming the rocks. Settling of sediment is strongly influenced by the gravity of a planetary body. As a consequence, sorting of a sedimentary rock varies with gravity for a given depth and velocity of surface runoff. Theoretical considerations for spheres indicate that sorting is less uniform on Mars than on Earth for runoff of identical depth. The effects of gravity on flow hydraulics limit the use of common, semi-empirical models developed to simulate particle settling in terrestrial environments, on Mars. Assessing sedimentation patterns on Mars, aimed at identifying strata potentially hosting traces of life, is potentially affected by such uncertainties. Using first-principle approaches, e.g. through Computational Fluid Dynamics, for calculating settling velocities on other planetary bodies requires a large effort and is limited by the values of boundary conditions, e.g. the shape of the particle. The degree of uncertainty resulting from the differences in gravity on Earth and Mars was therefore tested during three reduced-gravity flights, the MarsSedEx I and II missions, conducted in November 2012 and 2013. Nine types of sediment, ranging in size, shape and density were tested in custom-designed settling tubes during parabolas of Martian gravity lasting 20 to 25 seconds. Based on the observed settling velocities, the uncertainties of empirical relationships developed on Earth to assess particle settling on Mars are discussed. In addition, the potential effects of reduced gravity on patterns of erosion, transport and sorting of sediment, including the implications for identifying strata bearing traces of past life on are examined.

  16. A density functional theory study of the electronic properties of Os(II) and Os(III) complexes immobilized on Au(111)

    DEFF Research Database (Denmark)

    O'Boyle, N.M.; Albrecht, Tim; Murgida, D.H.

    2007-01-01

    We present a density functional theory (DFT) study of an osmium polypyridyl complex adsorbed on Au(111). The osmium polypyridyl complex [Os(bpy)(2)(P0P)Cl](n+) [bpy is 2,2'-bipyridine, P0P is 4,4'-bipyridine, n = 1 for osmium(II), and n = 2 for osmium(III)] is bound to the surface through the fre...

  17. Investigating the effect of ascorbate on the Fe(II)-catalyzed transformation of the poorly crystalline iron mineral ferrihydrite.

    Science.gov (United States)

    Xiao, Wei; Jones, Adele M; Collins, Richard N; Waite, T David

    2018-05-09

    The inorganic core of the iron storage protein, ferritin, is recognized as being analogous to the poorly crystalline iron mineral, ferrihydrite (Fh). Fh is also abundant in soils where it is central to the redox cycling of particular soil contaminants and trace elements. In geochemical circles, it is recognized that Fh can undergo Fe(II)-catalyzed transformation to form more crystalline iron minerals, vastly altering the reactivity of the iron oxide and, in some cases, the redox poise of the system. Of relevance to both geochemical and biological systems, we investigate here if the naturally occurring reducing agent, ascorbate, can effect such an Fe(II)-catalyzed transformation of Fh at 25 °C and circumneutral pH. The transformation of ferrihydrite to possible secondary Fe(III) mineralization products was quantified using Fourier transform infrared (FTIR) spectroscopy, with supporting data obtained using X-ray absorbance spectroscopy (XAS) and X-ray diffraction (XRD). Whilst the amount of Fe(II) formed in the presence of ascorbate has resulted in Fh transformation in previous studies, no transformation of Fh to more crystalline Fe(III) (oxyhydr)oxides was observed in this study. Further experiments indicated this was due to the ability of ascorbate to inhibit the formation of goethite, lepidocrocite and magnetite. The manner in which ascorbate associated with Fh was investigated using FTIR and total organic carbon (TOC) analysis. The majority of ascorbate was found to adsorb to the Fh surface under anoxic conditions but, under oxic conditions, ascorbate was initially adsorbed then became incorporated within the Fe(III) (oxyhydr)oxide structure (i.e., co-precipitated) over time. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. Structural Investigation of Zn(II) Insertion in Bayerite, an Aluminum Hydroxide

    DEFF Research Database (Denmark)

    Pushparaj, Suraj Shiv Charan; Jensen, Nicholai Daugaard; Forano, Claude

    2016-01-01

    Bayerite was treated under hydrothermal conditions (120, 130, 140, and 150 °C) in order to prepare a series of layered double hydroxides (LDHs) with an ideal composition of ZnAl4(OH)12(SO4)0.5nH2O (ZnAl4-LDHs). These products were investigated by both bulk techniques (PXRD, TEM, and elemental an...

  19. New techniques for classic and quantum investigations on supersymmetry and supergravity theories

    International Nuclear Information System (INIS)

    Carvalho, F.A.B.R. de.

    1986-01-01

    Aspects on supersymmetry and supergravity are studied. The superfield Feynman rules are obtained, where global supersymmetry is spontaneously broken by F-terms. The complete superspace dependence of superpropagators is factored out, which are used to discuss corrections for the effective action and the non-renormalization theorems. The external gauge superfield coupling, taking in account the finite matter contributions to the gauging mass and the Fayet-Illiopoulos term, is discussed. By considering, the arbitrary globally supersymmetric Abelian gauge theory, the most general shifts on the matter and gauge superfields are carried out. The superpropagators are derived and used to discuss the structure of the terms generated into the effective action. An algorithm to obtain the minimal set of auxiliary field for the femionic of supergravity theories. Explicit examples are shown as illustrations and the N=1, N=10, studied in detail. (M.C.K.) [pt

  20. Critical investigation of Jauch's approach to the quantum theory of measurement

    International Nuclear Information System (INIS)

    Herbut, Fedor

    1986-01-01

    To make Jauch's approach more realistic, his assumptions are modified in two ways: (1) On the quantum system plus the measuring apparatus (S + MA) after the measuring interaction has ceased, one can actually measure only operators of the form given. (2) Measurement is defined in the most general way (including, besides first-kind, also second-kind and third-kind or indirect measurements). It is shown that Jauch's basic result that the microstates (statistical operators) of S + MA before and after the collapse correspond to the same macrostate (belong to the same equivalence class of microstates) remains valid under the above modifications, and that the significance of this result goes beyond measurement theory. On the other hand, it is argued that taking the orthodox (i.e. uncompromisingly quantum) view of quantum mechanics, it is not the collapse, but the Jauch-type macrostates that are spurious in a Jauch-type theory. (author)

  1. Intentionality in Healing--The Voices of Men in Nursing: A Grounded Theory Investigation.

    Science.gov (United States)

    Zahourek, Rothlyn P

    2015-12-01

    The purpose of this study was to evaluate and potentially modify or expand a previously developed theory: Intentionality: The Matrix of Healing (IMH) using a sample of men in nursing. A modified grounded theory approach described by Chen and Boore (2009) and by Amsteus (2014). Twelve men in nursing were recruited. Each was interviewed at least once and their feedback solicited to determine accuracy of interpretation. Results were compared and contrasted to those obtained from the earlier research with six female nurses and their patients. Both groups viewed intentionality as different from, and greater than, intention. Intentionality reflects the whole person's values, goals, and experiences. The men emphasized the importance of reflective spiritual practices, developing self-awareness, being aware of the stress experienced by males in a female profession, and the role of action in manifesting intentionality in healing. The theory is substantiated with minor changes in emphases. Further study is warranted to expand the understanding of this basic concept in nursing and healing. © The Author(s) 2015.

  2. Stigmatizing attitudes towards individuals with anorexia nervosa: an investigation of attribution theory.

    Science.gov (United States)

    Zwickert, Kristy; Rieger, Elizabeth

    2013-01-01

    Guided by Attribution Theory, this study assessed stigmatizing attitudes towards an individual with anorexia nervosa (AN) compared to obesity and skin cancer, and examined the extent to which manipulating a target individual's level of blameworthiness affects levels of stigmatizing attitudes. One hundred and thirty-five female undergraduate students were randomly assigned to one of three conditions. Before and after receiving blameworthy or non-blameworthy information relating to the target's condition, participants completed a series of self-report inventories measuring their emotional reactions, desire for social distance, and causal attributions regarding the target. Participants reported a significantly greater desire for social distance from the target with AN compared to targets with obesity or skin cancer, and yet (contrary to Attribution Theory) attributed less blame to the target with AN. There were significant increases in stigmatization towards targets described as blameworthy relative to targets described as non-blameworthy. The findings provide insight into the elevated levels of stigmatizing attitudes held towards individuals with AN, and the role of Attribution Theory in partially accounting for this stigma.

  3. Electrochemistry of Anilines. II. Oxidation to Dications, Electrochemical and uv/vis Spectroelectrochemical Investigation.

    Science.gov (United States)

    1984-01-06

    the products of bulk electrolyses . We did not investigate the oxidation of Id in this second wave because of the reason mentioned above. THE OVERALL...Nitrenium ion 6b reacts in a chemical reaction. Bulk electrolysis of lb in the presence cf water and 2,6-lutidine shows that ,iinozuinoie ib is ..red. sc...proton exchange equilibrium: NH NH C.CC 00 OeH-,-. 0C 7 OC-: - 4 - C C., . ,O, elettroinalytical experiments, traces of water are presumably reacting

  4. Diagnostic Problem-Solving Process in Professional Contexts: Theory and Empirical Investigation in the Context of Car Mechatronics Using Computer-Generated Log-Files

    Science.gov (United States)

    Abele, Stephan

    2018-01-01

    This article deals with a theory-based investigation of the diagnostic problem-solving process in professional contexts. To begin with, a theory of the diagnostic problem-solving process was developed drawing on findings from different professional contexts. The theory distinguishes between four sub-processes of the diagnostic problem-solving…

  5. Superstring theory

    International Nuclear Information System (INIS)

    Schwarz, J.H.

    1985-01-01

    Dual string theories, initially developed as phenomenological models of hadrons, now appear more promising as candidates for a unified theory of fundamental interactions. Type I superstring theory (SST I), is a ten-dimensional theory of interacting open and closed strings, with one supersymmetry, that is free from ghosts and tachyons. It requires that an SO(eta) or Sp(2eta) gauge group be used. A light-cone-gauge string action with space-time supersymmetry automatically incorporates the superstring restrictions and leads to the discovery of type II superstring theory (SST II). SST II is an interacting theory of closed strings only, with two D=10 supersymmetries, that is also free from ghosts and tachyons. By taking six of the spatial dimensions to form a compact space, it becomes possible to reconcile the models with our four-dimensional perception of spacetime and to define low-energy limits in which SST I reduces to N=4, D=4 super Yang-Mills theory and SST II reduces to N=8, D=4 supergravity theory. The superstring theories can be described by a light-cone-gauge action principle based on fields that are functionals of string coordinates. With this formalism any physical quantity should be calculable. There is some evidence that, unlike any conventional field theory, the superstring theories provide perturbatively renormalizable (SST I) or finite (SST II) unifications of gravity with other interactions

  6. Investigation on wear behavior of graphite baII under different pneumatic conveying environments

    International Nuclear Information System (INIS)

    Chen Zhipeng; Zheng Yanhua; Shi Lei; Yu Suyuan

    2014-01-01

    An experimental platform was built in the Institute of Nuclear and New Energy Technology (INET) to investigate the wear behavior of the graphite ball under the operational condition of the high temperature gas-cooled reactor (HTGR) fuel handling system. In this experimental platform, a series of experiments were carried out under different pneumatic conveying environments with the graphite balls, which were made of the material same as the fuel element matrix graphite (A3) of the 10 MW high temperature gas cooled reactor (HTR-10). The effect of the pneumatic conveying condition on the wear rate of graphite ball has been investigated, and the results include: (1) There is an obvious linear relationship between the wear rate and the feeding velocity of graphite ball elevated in the stainless steel elevating tube, and the wear rate will increase with the increase of the feeding velocity. (2) The wear rate of graphite ball under helium environment is significantly greater than that under air and nitrogen environments, which is caused by the different effects of various gas environments on mechanical properties of graphite. (author)

  7. Solar desalination using humidification-dehumidification processes. Part II. An experimental investigation

    International Nuclear Information System (INIS)

    Nafey, A.S.; Fath, H.E.S.; El-Helaby, S.O.; Soliman, A.

    2004-01-01

    An experimental investigation of a humidification-dehumidification desalination (HDD) process using solar energy at the weather conditions of Suez City, Egypt, is presented. A test rig is designed and constructed to conduct this investigation under different environmental and operating conditions. The test rig consists of a solar water heater (concentrator solar collector type), solar air heater (flat plate solar collector type), humidifier tower and dehumidifier exchanger. Different variables are examined including the feed water flow rate, the air flow rate, the cooling water flow rate in the dehumidifier and the weather conditions. Comparisons between the experimental results and other published results are presented. It is found that the results of the developed mathematical model by the same authors are in good agreement with the experimental results. The tested results show that the productivity of the system is strongly affected by the saline water temperature at the inlet to the humidifier, dehumidifier cooling water flow rate, air flow rate and solar intensity. The wind speed and ambient temperature variation were found to have a very small effect on the system productivity. A general correlation is developed to predict the unit productivity under different operating conditions. The results of this correlation have a reasonable confidence level (maximum error ±6%)

  8. NMR investigation of dynamic processes in complexes of nickel(II) and zinc(II) with iminodiacetate, n-methyliminodiacetate and n-ethyliminodiacetate

    International Nuclear Information System (INIS)

    Wagner, M.R.

    1985-11-01

    Analysis of oxygen-17 bulk water relaxation rates with an aqueous solution of 1:1 Ni(II):ida reveals that two rate-limiting processes are involved with solvent exchange. Analysis of carbon-13 longitudinal relaxation rates of the bis-ligand complexes with zinc(II) are used to determine molecular tumbling rates and methyl rotation rates. The carbon-13 transverse relaxation rates for the carbons in the bis-ligand complex with Ni(II) are adequately fitted to the Solomon-Bloembergen equation. Three carboxylate carbon peaks are seen with the 13 C spectrum of the 1:2 Ni(II):ida complex, which coalesce into a single peak above about 360 K. The mechanism and rate of ligand exchange are determined for the complexes Zn(II)L 2 -2 (L = mida, eida) in aqueous solution by total lineshape analysis of the proton spectrum at 500 MHz

  9. Application of the Extended Theory of Planned Behavior Model to Investigate Purchase Intention of Green Products among Thai Consumers

    OpenAIRE

    Kamonthip Maichum; Surakiat Parichatnon; Ke-Chung Peng

    2016-01-01

    Green products are among the widely used products worldwide due to their environmental benefits. However, information on the consumers’ purchase intention towards green products in developing countries, such as Thailand, is lacking. This study aims to investigate Thai consumers who are aged over 18 years, and whose base education is high school, on purchase intention for green products by using an extended framework of the theory of planned behavior (TPB). We derived and examined the model th...

  10. Ab initio density functional theory investigation of structural and electronic properties of double-walled silicon carbide nanotubes

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2009-12-01

    By using ab initio density functional theory, the structural and electronic properties of (n,n)@(11,11) double-walled silicon carbide nanotubes (SiCNTs) are investigated. Our calculations reveal the existence of an energetically favorable double-walled nanotube whose interwall distance is about 4.3 Å. Interwall spacing and curvature difference are found to be essential for the electronic states around the Fermi level.

  11. INVESTIGATION OF DRUG RELEASE FROM BIODEGRADABLE PLG MICROSPHERES: EXPERIMENT AND THEORY

    Energy Technology Data Exchange (ETDEWEB)

    ANDREWS, MALCOLM J. [Los Alamos National Laboratory; BERCHANE, NADER S. [Los Alamos National Laboratory; CARSON, KENNETH H. [Los Alamos National Laboratory; RICE-FICHT, ALLISON C. [Los Alamos National Laboratory

    2007-01-30

    Piroxicam containing PLG microspheres having different size distributions were fabricated, and in vitro release kinetics were determined for each preparation. Based on the experimental results, a suitable mathematical theory has been developed that incorporates the effect of microsphere size distribution and polymer degradation on drug release. We show from in vitro release experiments that microsphere size has a significant effect on drug release rate. The initial release rate decreased with an increase in microsphere size. In addition, the release profile changed from first order to concave-upward (sigmoidal) as the system size was increased. The mathematical model gave a good fit to the experimental release data.

  12. Macroscopic and microscopic investigation of Ni(II) sequestration on diatomite by batch, XPS, and EXAFS techniques.

    Science.gov (United States)

    Sheng, Guodong; Yang, Shitong; Sheng, Jiang; Hu, Jun; Tan, Xiaoli; Wang, Xiangke

    2011-09-15

    Sequestration of Ni(II) on diatomite as a function of time, pH, and temperature was investigated by batch, XPS, and EXAFS techniques. The ionic strength-dependent sorption at pH < 7.0 was consistent with outer-sphere surface complexation, while the ionic strength-independent sorption at pH = 7.0-8.6 was indicative of inner-sphere surface complexation. EXAFS results indicated that the adsorbed Ni(II) consisted of ∼6 O at R(Ni-O) ≈ 2.05 Å. EXAFS analysis from the second shell suggested that three phenomena occurred at the diatomite/water interface: (1) outer-sphere and/or inner-sphere complexation; (2) dissolution of Si which is the rate limiting step during Ni uptake; and (3) extensive growth of surface (co)precipitates. Under acidic conditions, outer-sphere complexation is the main mechanism controlling Ni uptake, which is in good agreement with the macroscopic results. At contact time of 1 h or 1 day or pH = 7.0-8.0, surface coprecipitates occur concurrently with inner-sphere complexes on diatomite surface, whereas at contact time of 1 month or pH = 10.0, surface (co)precipitates dominate Ni uptake. Furthermore, surface loading increases with temperature increasing, and surface coprecipitates become the dominant mechanism at elevated temperature. The results are important to understand Ni interaction with minerals at the solid-water interface, which is helpful to evaluate the mobility of Ni(II) in the natural environment.

  13. Investigation of the strontium (Sr(II)) adsorption of an alginate microsphere as a low-cost adsorbent for removal and recovery from seawater.

    Science.gov (United States)

    Hong, Hye-Jin; Ryu, Jungho; Park, In-Su; Ryu, Taegong; Chung, Kang-Sup; Kim, Byuong-Gyu

    2016-01-01

    In this paper, we investigated alginate microspheres as a low-cost adsorbent for strontium (Sr(II)) removal and recovery from seawater. Alginate microspheres have demonstrated a superior adsorption capacity for Sr(II) ions (≈110 mg/g). A Freundlich isotherm model fits well with the Sr(II) adsorption of an alginate microsphere. The mechanism of Sr(II) adsorption is inferred as an ion exchange reaction with Ca(II) ions. The effects of the solution pH and co-existing ions in seawater are also investigated. Except for a pH of 1-2, Sr(II) adsorption capacity is not affected by pH. However, increasing the seawater concentration of metal cations seriously decreases Sr(II) uptake. In particular, highly concentrated (15,000 mg/L) Na(I) ions significantly interfere with Sr(II) adsorption. Sr(II) desorption was performed using 0.1 M HCl and CaCl2. Both regenerants show an excellent desorption efficiency, but the FTIR spectrum reveals that the chemical structure of the microsphere is destroyed after repeated use of HCl. Conversely, CaCl2 successfully desorbed Sr(II) without damage, and the Sr(II) adsorption capacity does not decrease after three repeated uses. The alginate microsphere was also applied to the adsorption of Sr(II) in a real seawater medium. Because of inhibition by co-existing ions, the Sr(II) adsorption capacity was decreased and the adsorption rate was retarded compared with D.I. water. Although the Sr(II) adsorption capacity was decreased, the alginate microsphere still exhibited 17.8 mg/g of Sr(II) uptake in the seawater medium. Considering its excellent Sr(II) uptake in seawater and its reusability, an alginate microsphere is an appropriate cost-effective adsorbent for the removal and recovery of Sr(II) from seawater. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. A computerized system to measure interproximal alveolar bone levels in epidemiologic, radiographic investigations. II

    International Nuclear Information System (INIS)

    Wouters, F.R.; Frithiof, L.; Soeder, P.Oe.; Hellden, L.; Lavstedt, S.; Salonen, L.

    1988-01-01

    The study was aimed at analyzing intra- and inter-examiner variations in computerized measurement and in non-measurability of alveolar bone level in a cross-sectional, epidemiologic material. At each interproximal tooth surface, alveolar bone height in percentage of root length (B/R) and tooth length (B/T) were determined twice by one examiner and once by a second examiner from X5-magnified periapical radiographs. The overall intra- and inter-examiner variations in measurement were 2.85% and 3.84% of root length and 1.97% and 2.82% of tooth length, respectively. The varations were different for different tooth groups and for different degrees of severity of marginal periodontitis. The overall proportions on non-measurable tooth surfaces varied with examiner from 32% to 39% and from 43% to 48% of the available interproximal tooth surfaces for B/R and B/T, respectively. With regard to the level of reliability, the computerized method reported is appropriate to cross-sectional, epidemiologic investigations from radiographs

  15. The Investigation of Youth Religiosity, with the Emphasis on Self Referential Religiosity (Using Grounded Theory

    Directory of Open Access Journals (Sweden)

    Arash Hassan pour

    2015-12-01

    Full Text Available Religiosity has been pluralized and diversified at present era. This study, accepted this presupposition that religiosity as a varied, diverse and instable issue is out of duality of being religiousness or not. By accepting this presupposition we study and interpret one type of religiosity among youth in Isfahan. To achieve the given purpose, by review the previous studies, in interpretive approach, qualitative method framework, Grounded Theory tradition, interview and Simmel theory about religiosity, data is collected. Based on the findings of the study, and with criteria of “self-recognition” we discovered and identified Self referential religiosity. Also, the results of the qualitative data reveal that religiosity of Youth change to: individual, non-compulsory, private, dispositional, and selective, based on self- Intellection, non-accepting heteronomy of religious institution and tend to contingency, hedonistic Phenomena. Finally In this study we also tried to offer, describe and illustrate paradigmatic model of qualitative data in frame of casual, contextual, consequential circumstances about advent and influence this type of religiosity.

  16. Critical Investigation of Jauch's Approach to the Quantum Theory of Measurement

    Science.gov (United States)

    Herbut, Fedor

    1986-08-01

    To make Jauch's approach more realistic, his assumptions are modified in two ways: (1) On the quantum system plus the measuring apparatus (S+MA) after the measuring interaction has ceased, one can actually measure only operators of the form A⊗∑ k b k Q k ,where A is any Hermitian operator for S, the resolution of the identity ∑kQk=1 defines MA as a classical system (following von Neumann), and the b k are real numbers (S and MA are distant). (2) Measurement is defined in the most general way (including, besides first-kind, also second-kind and third-kind or indirect measurements). It is shown that Jauch's basic result that the microstates (statistical operators) of S+MA before and after the collapse correspond to the same macrostate (belong to the same equivalence class of microstates) remains valid under the above modifications, and that the significance of this result goes beyond measurement theory. On the other hand, it is argued that taking the orthodox (i.e. uncompromisingly quantum) view of quantum mechanics, it is not the collapse, but the Jauch-type macrostates that are spurious in a Jauch-type theory.

  17. Numerical investigations on the osseointegration of uncemented endoprostheses based on bio-active interface theory

    Science.gov (United States)

    Lutz, André; Nackenhorst, Udo

    2012-09-01

    In order to simulate the osseointegration of bone implants, a bio-active interface theory is necessary. The thin bone-implant interface layer is described by the Drucker-Prager plasticity model. The formulation of bone mineral density depends on the local mechanical environment. For the simulation of the osseointegration of bone implants a bio-active interface theory is suggested. A thin bone-implant interface layer is described by a Drucker-Prager plasticity model. An evolution rule for the bone mineral density is formulated in dependency of the local mechanical environment. The time dependent ingrowth is modeled by a hardening rule which modifies the Drucker-Prager yield-surface cone in the principle stress state in dependency of the local bone mineral density. The osseointegration process is limited by the violation of a so called micromotion threshold. This relative motion in the implant-bone interface is computed by dynamic loads of daily motion activity. For parameter studies on detailed 3D models model reduction techniques are introduced. The applicability is demonstrated on a hip-joint prosthesis which is in clinical usage.

  18. A grounded-theory investigation of patient education in physical therapy practice.

    Science.gov (United States)

    Rindflesch, Aaron B

    2009-04-01

    Patient education is a critical component of physical therapy and is used frequently in practice. Research describing the practice of patient education in physical therapy is scarce, however. Qualitative research methods can be used to describe the practice of patient education in physical therapy and to identify supportive theory. This study describes the practice of patient education grounded in data obtained from nine physical therapists in three settings: outpatient, acute care, and inpatient rehabilitation. From the data common themes are reported. From the themes, supportive theory can be identified. Results show four primary themes regarding patient education in physical therapy. First, the physical therapists in this study were not able to easily differentiate patient education from primary interventions. Second, the purpose of patient education was to empower patients toward self-management and prevention. Third, therapists used a patient-centered approach to decide upon content. Finally, each therapist used function or demonstration to assess the outcome of patient education interventions. The results of this study can be used to inform current practitioners, for future research and to identify theoretical underpinnings to support the practice of patient education in physical therapy.

  19. Investigating the dominant corrections to the strong-stretching theory for dry polymeric brushes.

    Science.gov (United States)

    Matsen, M W

    2004-07-22

    The accuracy of strong-stretching theory (SST) is examined against a detailed comparison to self-consistent field theory (SCFT) on dry polymeric brushes with thicknesses of up to approximately 17 times the natural chain extension. The comparison provides the strongest evidence to date that SST represents the exact thick-brush limit of SCFT. More importantly, it allows us to assess the effectiveness of proposed finite-stretching corrections to SST. Including the entropy of the free ends is shown to rectify the most severe inaccuracies in SST. The proximal layer proposed by Likhtman and Semenov provides another significant improvement, and we identify one further effect of similar importance for which there is not yet an accurate treatment. Furthermore, our study provides a valuable means of rejecting mistaken refinements to SST, and indeed one such example is revealed. A proper treatment of finite-stretching corrections is vital to a wide range of phenomena that depend on a small excess free energy, such as autophobic dewetting and the interaction between opposing brushes.

  20. Polarized XANES and EXAFS spectroscopic investigation into copper(II) complexes on vermiculite

    Science.gov (United States)

    Furnare, Luca J.; Vailionis, Arturas; Strawn, Daniel G.

    2005-11-01

    Interaction of heavy metals with clay minerals can dominate solid-solution reactions in soil, controlling the fate of the metals in the environment. In this study we used powdered and polarized extended X-ray absorption fine structure (EXAFS) spectroscopy and X-ray absorption near edge spectroscopy (XANES) to investigate Cu sorbed on Llano vermiculite and compare the results to reported Cu sorption mechanism on Wyoming (WY) smectite and reduced South African (SA) vermiculite. Analysis of the Cu K-edge spectra revealed that Cu sorbed on Llano vermiculite at high ionic strength ( I) has the greatest degree of covalent bond character, followed by Cu sorbed on montmorillonite at high I, and Cu sorbed on reduced SA vermiculite at high I. Cu sorbed on clay minerals at low I has the least covalent character. EXAFS data from Cu sorbed Ca- and K-equilibrated Llano vermiculites showed the presence of a second-shell Al, Si, or Mg backscatterer at 3.02 Å. This distance is consistent with Cu sorbing via a corner-sharing monodentate or bidentate bond. Polarized XANES and EXAFS results revealed that the angle between the Cu atom and the mineral sorption sites is 68° with respect to the [001] direction. From the bond angle and the persistence of the second-shell backscatterer when the interlayer is collapsed (K-equilibration), we conclude that Cu adsorption on the Llano vermiculite is not occurring in the interlayer but rather Cu is adsorbing onto the edges of the vermiculite. Results from this research provide evidence that Cu forms inner-sphere and outer-sphere complexes on clay minerals, and does not form the vast multinuclear surface precipitates that have been observed for Co, Zn, and Ni.

  1. Status of volcanic hazard studies for the Nevada Nuclear Waste Storage Investigations. Volume II

    International Nuclear Information System (INIS)

    Crowe, B.M.; Wohletz, K.H.; Vaniman, D.T.; Gladney, E.; Bower, N.

    1986-01-01

    Volcanic hazard investigations during FY 1984 focused on five topics: the emplacement mechanism of shallow basalt intrusions, geochemical trends through time for volcanic fields of the Death Valley-Pancake Range volcanic zone, the possibility of bimodal basalt-rhyolite volcanism, the age and process of enrichment for incompatible elements in young basalts of the Nevada Test Site (NTS) region, and the possibility of hydrovolcanic activity. The stress regime of Yucca Mountain may favor formation of shallow basalt intrusions. However, combined field and drill-hole studies suggest shallow basalt intrusions are rare in the geologic record of the southern Great Basin. The geochemical patterns of basaltic volcanism through time in the NTS region provide no evidence for evolution toward a large-volume volcanic field or increases in future rates of volcanism. Existing data are consistent with a declining volcanic system comparable to the late stages of the southern Death Valley volcanic field. The hazards of bimodal volcanism in this area are judged to be low. The source of a 6-Myr pumice discovered in alluvial deposits of Crater Flat has not been found. Geochemical studies show that the enrichment of trace elements in the younger rift basalts must be related to an enrichment of their mantle source rocks. This geochemical enrichment event, which may have been metasomatic alteration, predates the basalts of the silicic episode and is, therefore, not a young event. Studies of crater dimensions of hydrovolcanic landforms indicate that the worst case scenario (exhumation of a repository at Yucca Mountain by hydrovolcanic explosions) is unlikely. Theoretical models of melt-water vapor explosions, particularly the thermal detonation model, suggest hydrovolcanic explosion are possible at Yucca Mountain. 80 refs., 21 figs., 5 tabs

  2. Experimental and theoretical investigations on the dynamic response of EBR-II ducts under pressure pulse loading

    International Nuclear Information System (INIS)

    Chopra, P.S.; Srinivas, S.

    1975-01-01

    In order to assess the potential damage to hexagonal subassembly ducts (cans) that may result from rapid gas release from a failed element the EBR-II project has conducted experiments and analyses. Additional experimental and analytical investigations are now being conducted to assure fail-safety of the ducts. Fail-safety is defined as the ability of a duct to withstand pressure pulses from failed elements during all reactor conditions without damage to adjacent ducts or any other problems in fuel handling. The results of 93 EBR-II duct tests conducted primarily by Koenig have been reported previously. The results of empirical correlations of some of these tests to determine the influence of several variables on the pressure pulse experienced by a duct and on the duct deformation are presented. The variables include the type of gas contained in the simulated element (tube), the element and duct materials, the presence or absence of flow restrictors in the element, and the way gas was released. 8 references. (auth)

  3. A path model investigation of neurocognition, theory of mind, social competence, negative symptoms and real-world functioning in schizophrenia.

    Science.gov (United States)

    Couture, Shannon M; Granholm, Eric L; Fish, Scott C

    2011-02-01

    Problems in real-world functioning are pervasive in schizophrenia and much recent effort has been devoted to uncovering factors which contribute to poor functioning. The goal of this study was to examine the role of four such factors: social cognition (theory of mind), neurocognition, negative symptoms, and functional capacity (social competence). 178 individuals with schizophrenia or schizoaffective disorder completed measures of theory of mind, neurocognition, negative symptoms, social competence, and self-reported functioning. Path models sought to determine the relationships among these variables. Theory of mind as indexed by the Hinting Task partially mediated the relationship between neurocognition and social competence, and negative symptoms and social competence demonstrated significant direct paths with self-reported functioning. Study results suggest theory of mind serves as an important mediator in addition to previously investigated social cognitive domains of emotional and social perception. The current study also highlights the need to determine variables which mediate the relationship between functional capacity and real-world functioning. Copyright © 2010 Elsevier B.V. All rights reserved.

  4. Experimental and theoretical investigations on Pd(II) host-guest compound: Deciphering the structural and electronic features of a potential bioactive complex

    Science.gov (United States)

    Sreejith, S. S.; Mohan, Nithya; Prathapachandra Kurup, M. R.

    2017-10-01

    A Pd(II) complex from N,N‧-bis(2-hydroxy-3-ethoxybenzylidene)butane-1,4-diamine salen-type ligand has been synthesized and characterised using single crystal XRD analysis, elemental analysis, IR and UV-Vis spectroscopic methods. Thermal profile of the compound is investigated using TG-DTG-DSC method. The quantification of intermolecular interactions and surface morphology has been done using Hirshfeld surface study mapped using various functions like dnorm, shape index and curvedness. ESP analysis is done to visualize the electrophilic and nucleophilic regions in the complex. Geometry optimization of the structure is done using DFT at B3LYP/def2-TZVP level of theory. Frontier orbital analysis reveals the kinetical stability and chemical inertness of the complex. A detailed charge distribution analysis is done using different analytical methods like Mulliken, Löwdin, NPA and AIM methods. Further bond order analysis and topological analysis are also done. Finally the bioactivity of the titled complex is checked using molecular docking method on both DNA and protein.

  5. Photoluminescence investigation of type-II GaSb/GaAs quantum dots grown by liquid phase epitaxy

    Science.gov (United States)

    Wang, Yang; Hu, Shuhong; Xie, Hao; Lin, Hongyu; lu, Hongbo; Wang, Chao; Sun, Yan; Dai, Ning

    2018-06-01

    GaSb quantum dots (QDs) with an areal density of ∼1 × 1010 cm-2 are successfully grown by the modified (rapid slider) liquid phase epitaxy technique. The morphology of the QDs has been investigated by scanning electron microscope (SEM) and atom force microscope (AFM). The power-dependence and temperature-dependence photoluminescence (PL) spectra have been studied. The bright room-temperature PL suggests a good luminescence quality of GaSb QDs/GaAs matrix system. The type-II alignment of the GaSb QDs/GaAs matrix system is verified by the blue-shift of the QDs peak with the increase of excitation power. From the temperature-dependence PL spectra, the activation energy of QDs is determined to be 111 meV.

  6. Fear and anxiety as separable emotions: an investigation of the revised reinforcement sensitivity theory of personality.

    Science.gov (United States)

    Perkins, Adam M; Kemp, Samantha E; Corr, Philip J

    2007-05-01

    The Gray and McNaughton (2000) theory draws on a wide range of animal data to hypothesize that the emotions of fear and anxiety are separable. The authors tested their hypothesis in two studies. The first study examined associations between scores on questionnaire measures of fear, anxiety, and neuroticism; correlational analysis revealed that fear and anxiety are not interchangeable constructs. The second study examined associations between scores on questionnaire measures of fear/anxiety and performance in a military training setting; regression analysis revealed that fear captured significant variance in performance that was not shared with anxiety. These results imply that hypotheses derived from nonhuman animal data may hold important implications for understanding human emotion and motivation, especially in relation to fear and anxiety.

  7. Investigating m-Health Acceptance from a Protection Motivation Theory Perspective: Gender and Age Differences.

    Science.gov (United States)

    Guo, Xitong; Han, Xiaocui; Zhang, Xiaofei; Dang, Yuanyuan; Chen, Chun

    2015-08-01

    Mobile health (m-health) services are becoming increasingly important and widely accepted. However, empirical studies on potential users' m-health acceptance behavior remain underexplored. Indeed, m-health adoption is not only a technology acceptance behavior, but also a health-related behavior. Based on the Protection Motivation Theory, this article explores users' m-health adoption behavior from the perspectives of threat appraisal and coping appraisal, and also examines the moderating role of gender and age through a survey of potential users. The survey was conducted among 500 potential m-health service participants. Our results show that threat appraisal and coping appraisal factors influence adoption intention through attitude. It is also found that gender and age play different moderating roles with threat appraisal and coping appraisal factors. Gender and age play different roles between threat appraisal and coping appraisal factors in the acceptance of m-health. Implications for research and practice are discussed.

  8. Research Update: Density functional theory investigation of the interactions of silver nanoclusters with guanine

    Directory of Open Access Journals (Sweden)

    Brandon B. Dale

    2017-05-01

    Full Text Available Bare and guanine-complexed silver clusters Ag n z (n = 2-6; z = 0-2 are examined using density functional theory to elucidate the geometries and binding motifs that are present experimentally. Whereas the neutral systems remain planar in this size range, a 2D-3D transition occurs at Ag 5 + for the cationic system and at Ag 4 2 + for the dicationic system. Neutral silver clusters can bind with nitrogen 3 or with the pi system of the base. However, positively charged clusters interact with nitrogen 7 and the neighboring carbonyl group. Thus, the cationic silver-DNA clusters present experimentally may preferentially interact at these sites.

  9. Exploring Partner Intimacy Among Couples Raising Children on the Autism Spectrum: A Grounded Theory Investigation.

    Science.gov (United States)

    Johnson, Jake; Piercy, Fred P

    2017-10-01

    In this study, we explored how couples raising children with autism spectrum disorder negotiate intimacy, including what contextual and temporal factors influence these processes. We conducted conjoint interviews with 12 couples, employing grounded theory methodology to collect and analyze the data. Our results indicated that fostering intimacy in these couples' relationships involves partners working together to make key cognitive and relational shifts. Couples are aided or hindered in making these shifts by the degree to which they experience various contextual and environmental factors as resources or roadblocks. We also found that intimacy is not a fixed point at which couples one day arrive, but is an iterative process taking place over time and requiring work to develop and maintain. © 2017 American Association for Marriage and Family Therapy.

  10. Investigation on law and economics of listed companies' financing preference based on complex network theory.

    Directory of Open Access Journals (Sweden)

    Jian Yang

    Full Text Available In this paper, complex network theory is used to make time-series analysis of key indicators of governance structure and financing data. We analyze scientific listed companies' governance data from 2010 to 2014 and divide them into groups in accordance with the similarity they share. Then we select sample companies to analyze their financing data and explore the influence of governance structure on financing decision and the financing preference they display. This paper reviews relevant laws and regulations of financing from the perspective of law and economics, then proposes reasonable suggestions to consummate the law for the purpose of regulating listed companies' financing. The research provides a reference for making qualitative analysis on companies' financing.

  11. Ab initio density functional theory investigation of Li-intercalated silicon carbide nanotube bundles

    International Nuclear Information System (INIS)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2009-01-01

    We present the results of ab initio density functional theory calculations on the energetic, and geometric and electronic structure of Li-intercalated (6,6) silicon carbide nanotube (SiCNT) bundles. Our results show that intercalation of lithium leads to the significant changes in the geometrical structure. The most prominent effect of Li intercalation on the electronic band structure is a shift of the Fermi energy which occurs as a result of charge transfer from lithium to the SiCNTs. All the Li-intercalated (6,6) SiCNT bundles are predicted to be metallic representing a substantial change in electronic properties relative to the undoped bundle, which is a wide band gap semiconductor. Both inside of the nanotube and the interstitial space are susceptible for intercalation. The present calculations suggest that the SiCNT bundle is a promising candidate for the anode material in battery applications.

  12. Ab initio density functional theory investigation of Li-intercalated silicon carbide nanotube bundles

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2009-06-01

    We present the results of ab initio density functional theory calculations on the energetic, and geometric and electronic structure of Li-intercalated ( 6,6) silicon carbide nanotube (SiCNT) bundles. Our results show that intercalation of lithium leads to the significant changes in the geometrical structure. The most prominent effect of Li intercalation on the electronic band structure is a shift of the Fermi energy which occurs as a result of charge transfer from lithium to the SiCNTs. All the Li-intercalated ( 6,6) SiCNT bundles are predicted to be metallic representing a substantial change in electronic properties relative to the undoped bundle, which is a wide band gap semiconductor. Both inside of the nanotube and the interstitial space are susceptible for intercalation. The present calculations suggest that the SiCNT bundle is a promising candidate for the anode material in battery applications.

  13. Ab initio density functional theory investigation of Li-intercalated silicon carbide nanotube bundles

    Energy Technology Data Exchange (ETDEWEB)

    Moradian, Rostam [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of); Nano Science and Technology Research Center, Razi University, Kermanshah (Iran, Islamic Republic of); Computational Physical Science Research Laboratory, Department of Nano Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), PO Box 19395-5531, Tehran (Iran, Islamic Republic of)], E-mail: moradian.rostam@gmail.com; Behzad, Somayeh; Chegel, Raad [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of)

    2009-06-15

    We present the results of ab initio density functional theory calculations on the energetic, and geometric and electronic structure of Li-intercalated (6,6) silicon carbide nanotube (SiCNT) bundles. Our results show that intercalation of lithium leads to the significant changes in the geometrical structure. The most prominent effect of Li intercalation on the electronic band structure is a shift of the Fermi energy which occurs as a result of charge transfer from lithium to the SiCNTs. All the Li-intercalated (6,6) SiCNT bundles are predicted to be metallic representing a substantial change in electronic properties relative to the undoped bundle, which is a wide band gap semiconductor. Both inside of the nanotube and the interstitial space are susceptible for intercalation. The present calculations suggest that the SiCNT bundle is a promising candidate for the anode material in battery applications.

  14. Development of an experimental investigation of some theories of relativity by daytime astrometry

    International Nuclear Information System (INIS)

    Ballard, P.T.

    1978-01-01

    This work describes an experiment, now in progress, to observe planet-sun separations through conjunction in full daylight. It is hoped to show that by these observations new limits are imposed on existing or future theories of gravitation. The nature of the experiment as well as some details of the experimental apparatus are presented. In addition, detailed calculations are presented which address the rather general problem of phase sensitive detection of a shot noise limited signal. Some other problems arising from this experiment are introduced but no conclusion is or can be presented at this time. These include the apparent oscillations of the solar diameter, a length reference in the field of the telescope, and the interferometric reduction of unwanted background radiation. Finally, a preliminary analysis of the intended observations is presented illustrating the sensitivity of the observations to various effects of gravitational importance

  15. Investigating dislocation motion through a field of solutes with atomistic simulations and reaction rate theory

    International Nuclear Information System (INIS)

    Saroukhani, S.; Warner, D.H.

    2017-01-01

    The rate of thermally activated dislocation motion across a field of solutes is studied using traditional and modern atomistically informed rate theories. First, the accuracy of popular variants of the Harmonic Transition State Theory, as the most common approach, is examined by comparing predictions to direct MD simulations. It is shown that HTST predictions are grossly inaccurate due to the anharmonic effect of thermal softening. Next, the utility of the Transition Interface Sampling was examined as the method was recently shown to be effective for predicting the rate of dislocation-precipitate interactions. For dislocation-solute interactions studied here, TIS is found to be accurate only when the dislocation overcomes multiple obstacles at a time, i.e. jerky motion, and it is inaccurate in the unpinning regime where the energy barrier is of diffusive nature. It is then shown that the Partial Path TIS method - designed for diffusive barriers - provides accurate predictions in the unpinning regime. The two methods are then used to study the temperature and load dependence of the rate. It is shown that Meyer-Neldel (MN) rule prediction of the entropy barrier is not as accurate as it is in the case of dislocation-precipitate interactions. In response, an alternative model is proposed that provides an accurate prediction of the entropy barrier. This model can be combined with TST to offer an attractively simple rate prediction approach. Lastly, (PP)TIS is used to predict the Strain Rate Sensitivity (SRS) factor at experimental strain rates and the predictions are compared to experimental values.

  16. Ausubel's Theory of Learning and its Application to Introductory Science Part II--Primary Science: An Ausubelian View.

    Science.gov (United States)

    McClelland, J. A. G.

    1982-01-01

    In part 1 (SE 532 193) an outline of Ausubel's learning theory was given. The application of the theory to elementary school science is addressed in this part, clarifying what elementary science means and indicating how it relates to what may be expected to be already known by elementary school children. (Author/JN)

  17. Preliminary investigation of stereotactic body radiation therapy for medically inoperable stage I/II non-small cell lung cancer

    International Nuclear Information System (INIS)

    Guo Jindong; Lu Changxing; Wang Jiaming; Liu Jun; Li Hongxuan; Wang Changlu; Gao Lanting; Zhao Lei

    2011-01-01

    Objective: To evaluate the therapeutic efficacy and treatment-related toxicity of stereotactic body radiation therapy (SBRT) in patients with medically inoperable stage I/II non-small cell lung cancer (NSCLC). Methods: SBRT was applied to 30 patients, including clinically staged T 1 , T 2 (≤5 cm) or T 3 (chest wall primary tumors only), N 0 , M 0 ,biopsy-confirmed NSCLC. All patients were precluded from lobotomy because of physical condition or comorbidity. No patients developed tumors of any T-stage in the proximal zone. SBRT was performed with the total dose of 50 Gy to 70 Gy in 10 - 11 fractions during 12 - 15 days. prescription line was set onthe edge of the PTV. Results: The follow-up rate was 100%. The number of patients who completed the 1-, and 2-year follow-up were 15, and 10, respectively. All 30 patients completed therapy as planned. The complete response (CR), partial response (PR) and stable disease (SD) rates were 37%, 53% and 3%, respectively. With a median follow-up of 16 months (range, 4-36 months), Kaplan-Meier local control at 2 years was 94%. The 2-year overall survival was 84% and the 2-year cancer specific survival was 90%. Seven patients(23%) developed Grade 2 pneumonitis, no grade > 2 acute or late lung toxicity was observed. No one developed chest wall pain. Conclusions: It is feasible to deliver 50 Gy to 70 Gy of SBRT in 10 - 11 fractions for medically inoperable patients with stage I / II NSCLC. It was associated with low incidence of toxicities and provided sustained local tumor control.The preliminary investigation indicated the cancer specific survival probability of SBRT was high. It is necessary to perform similar investigation in a larger number of patients with long-term follow-up. (authors)

  18. Inhomogeneous ordered states and translational nature of the gauge group in the Landau continuum theory: II. Applications of the general theory

    International Nuclear Information System (INIS)

    Braginsky, A. Ya.

    2007-01-01

    A group theory approach to description of phase transitions to an inhomogeneous ordered state, proposed in the preceding paper, is applied to two problems. First, a theory of the state of a liquid-crystalline smectic type-A phase under the action of uniaxial pressure is developed. Second, a model of strengthening in quasicrystals is constructed. According to the proposed approach, the so-called elastic dislocations always appear during the phase transitions in an inhomogeneous deformed state in addition to static dislocations, which are caused by peculiarities of the crystal growth or by other features in the prehistory of a sample. The density of static dislocations weakly depends on the external factors, whereas the density of elastic dislocations depends on the state. An analogy between the proposed theory of the inhomogeneous ordered state and the quantum-field theory of interaction between material fields is considered. On this basis, the phenomenological Ginzburg-Landau equation for the superconducting state is derived using the principle of locality of the transformation properties of the superconducting order parameter with respect to temporal translations

  19. Investigating the importance of self-theories of intelligence and musicality for students' academic and musical achievement.

    Science.gov (United States)

    Müllensiefen, Daniel; Harrison, Peter; Caprini, Francesco; Fancourt, Amy

    2015-01-01

    Musical abilities and active engagement with music have been shown to be positively associated with many cognitive abilities as well as social skills and academic performance in secondary school students. While there is evidence from intervention studies that musical training can be a cause of these positive relationships, recent findings in the literature have suggested that other factors, such as genetics, family background or personality traits, might also be contributing factors. In addition, there is mounting evidence that self-concepts and beliefs can affect academic performance independently of intellectual ability. Students who believe that intelligence is malleable are more likely to attribute poor academic performances to effort rather than ability, and are more likely to take remedial action to improve their performance. However, it is currently not known whether student's beliefs about the nature of musical talent also influence the development of musical abilities in a similar fashion. Therefore, this study introduces a short self-report measure termed "Musical Self-Theories and Goals," closely modeled on validated measures for self-theories in academic scenarios. Using this measure the study investigates whether musical self-theories are related to students' musical development as indexed by their concurrent musical activities and their performance on a battery of listening tests. We use data from a cross-sectional sample of 313 secondary school students to construct a network model describing the relationships between self-theories and academic as well as musical outcome measures, while also assessing potential effects of intelligence and the Big Five personality dimensions. Results from the network model indicate that self-theories of intelligence and musicality are closely related. In addition, both kinds of self-theories are connected to the students' academic achievement through the personality dimension conscientiousness and academic effort

  20. Investigating the importance of self-theories of intelligence and musicality for students’ academic and musical achievement

    Directory of Open Access Journals (Sweden)

    Daniel eMüllensiefen

    2015-11-01

    Full Text Available Musical abilities and active engagement with music have been shown to be positively associated with many cognitive abilities as well as social skills and academic performance in secondary school students. While there is evidence from intervention studies that musical training can be a cause of these positive relationships, recent findings in the literature have suggested that other factors, such as genetics, family background or personality traits, might also be contributing factors. In addition, there is mounting evidence that self-concepts and beliefs can affect academic performance independently of intellectual ability. Students who believe that intelligence is malleable are more likely to attribute poor academic performances to effort rather than ability, and are more likely to take remedial action to improve their performance. However, it is currently not known whether student’s beliefs about the nature of musical talent also influence the development of musical abilities in a similar fashion. Therefore, this study introduces a short self-report measure termed ‘Musical Self-Theories and Goals’, closely modeled on validated measures for self-theories in academic scenarios. Using this measure the study investigates whether musical self-theories are related to students’ musical development as indexed by their concurrent musical activities and their performance on a battery of listening tests. We use data from a cross-sectional sample of 313 secondary school students to construct a network model describing the relationships between self-theories and academic as well as musical outcome measures, while also assessing potential effects of intelligence and the Big Five personality dimensions. Results from the network model indicate that self-theories of intelligence and musicality are closely related. In addition, both kinds of self-theories are connected to the students’ academic achievement through the personality dimension

  1. Difficulties implementing a mental health guideline: an exploratory investigation using psychological theory

    Directory of Open Access Journals (Sweden)

    Eccles Martin P

    2007-03-01

    Full Text Available Abstract Background Evaluations of interventions to improve implementation of guidelines have failed to produce a clear pattern of results favouring a particular method. While implementation depends on clinicians and managers changing a variety of behaviours, psychological theories of behaviour and behaviour change are seldom used to try to understand difficulties in implementation or to develop interventions to overcome them. Objectives This study applied psychological theory to examine explanations for difficulties in implementation. It used a theoretical framework derived from an interdisciplinary consensus exercise to code interviews across 11 theoretical domains. The focus of the study was a National Institute for Health and Clinical Excellence's Schizophrenia guideline recommendation that family intervention should be offered to the families of people with schizophrenia. Methods Participants were recruited from community mental health teams from three United Kingdom National Health Service (NHS Trusts; 20 members (social workers, nurses, team managers, psychologists, and psychiatrists participated. Semi-structured interviews were audio-taped and transcribed. Interview questions were based on the theoretical domains and addressed respondents' knowledge, attitudes and opinions regarding the guideline. Two researchers independently coded the transcript segments from each interview that were related to each theoretical domain. A score of 1 indicated that the transcript segments relating to the domain did not appear to contain description of difficulties in implementation of the family therapy guidelines; similarly a score of 0.5 indicated possible difficulties and a score of 0 indicated definite difficulties. Results Coding respondents' answers to questions related to the three domains 'beliefs about consequences,' 'social/professional role and identity,' and 'motivation' produced the three highest total scores indicating that factors relating

  2. Expanding protection motivation theory: investigating an application to animal owners and emergency responders in bushfire emergencies.

    Science.gov (United States)

    Westcott, Rachel; Ronan, Kevin; Bambrick, Hilary; Taylor, Melanie

    2017-04-26

    Protection Motivation Theory (PMT) was developed by Rogers in 1975, to describe how individuals are motivated to react in a self-protective way towards a perceived health threat. Rogers expected the use of PMT to diversify over time, which has proved true over four decades. The purpose of this paper is to explore how PMT can be used and expanded to inform and improve public safety strategies in natural hazards. As global climate change impacts on the Australian environment, natural hazards seem to be increasing in scale and frequency, and Emergency Services' public education campaigns have necessarily escalated to keep pace with perceived public threat. Of concern, is that the awareness-preparedness gap in residents' survival plans is narrowing disproportionately slowly compared to the magnitude of resources applied to rectify this trend. Practical applications of adaptable social theory could be used to help resolve this dilemma. PMT has been used to describe human behaviour in individuals, families, and the parent-child unit. It has been applied to floods in Europe and wildfire and earthquake in the United States. This paper seeks to determine if an application of PMT can be useful for achieving other-directed human protection across a novel demographic spectrum in natural hazards, specifically, animal owners and emergency responders in bushfire emergencies. These groups could benefit from such an approach: owners to build and fortify their response- and self-efficacy, and to help translate knowledge into safer behaviour, and responders to gain a better understanding of a diverse demographic with animal ownership as its common denominator, and with whom they will be likely to engage in contemporary natural hazard management. Mutual collaboration between these groups could lead to a synergy of reciprocated response efficacy, and safer, less traumatic outcomes. Emergency services' community education programs have made significant progress over the last decade, but

  3. A density functional theory investigation of the electronic structure and spin moments of magnetite

    KAUST Repository

    Noh, Junghyun; Osman, Osman I; Aziz, Saadullah G; Winget, Paul; Bredas, Jean-Luc

    2014-01-01

    We present the results of density functional theory (DFT) calculations on magnetite, Fe3O4, which has been recently considered as electrode in the emerging field of organic spintronics. Given the nature of the potential applications, we evaluated the magnetite room-temperature cubic phase in terms of structural, electronic, and magnetic properties. We considered GGA (PBE), GGA + U (PBE + U), and range-separated hybrid (HSE06 and HSE(15%)) functionals. Calculations using HSE06 and HSE(15%) functionals underline the impact that inclusion of exact exchange has on the electronic structure. While the modulation of the band gap with exact exchange has been seen in numerous situations, the dramatic change in the valence band nature and states near the Fermi level has major implications for even a qualitative interpretation of the DFT results. We find that HSE06 leads to highly localized states below the Fermi level while HSE(15%) and PBE + U result in delocalized states around the Fermi level. The significant differences in local magnetic moments and atomic charges indicate that describing room-temperature bulk materials, surfaces and interfaces may require different functionals than their low-temperature counterparts.

  4. A density functional theory investigation of the electronic structure and spin moments of magnetite

    KAUST Repository

    Noh, Junghyun

    2014-08-01

    We present the results of density functional theory (DFT) calculations on magnetite, Fe3O4, which has been recently considered as electrode in the emerging field of organic spintronics. Given the nature of the potential applications, we evaluated the magnetite room-temperature cubic phase in terms of structural, electronic, and magnetic properties. We considered GGA (PBE), GGA + U (PBE + U), and range-separated hybrid (HSE06 and HSE(15%)) functionals. Calculations using HSE06 and HSE(15%) functionals underline the impact that inclusion of exact exchange has on the electronic structure. While the modulation of the band gap with exact exchange has been seen in numerous situations, the dramatic change in the valence band nature and states near the Fermi level has major implications for even a qualitative interpretation of the DFT results. We find that HSE06 leads to highly localized states below the Fermi level while HSE(15%) and PBE + U result in delocalized states around the Fermi level. The significant differences in local magnetic moments and atomic charges indicate that describing room-temperature bulk materials, surfaces and interfaces may require different functionals than their low-temperature counterparts.

  5. A transdiagnostic investigation of 'theory of mind' and 'jumping to conclusions' in patients with persecutory delusions.

    Science.gov (United States)

    Corcoran, R; Rowse, G; Moore, R; Blackwood, N; Kinderman, P; Howard, R; Cummins, S; Bentall, R P

    2008-11-01

    A tendency to make hasty decisions on probabilistic reasoning tasks and a difficulty attributing mental states to others are key cognitive features of persecutory delusions (PDs) in the context of schizophrenia. This study examines whether these same psychological anomalies characterize PDs when they present in the context of psychotic depression. Performance on measures of probabilistic reasoning and theory of mind (ToM) was examined in five subgroups differing in diagnostic category and current illness status. The tendency to draw hasty decisions in probabilistic settings and poor ToM tested using story format feature in PDs irrespective of diagnosis. Furthermore, performance on the ToM story task correlated with the degree of distress caused by and preoccupation with the current PDs in the currently deluded groups. By contrast, performance on the non-verbal ToM task appears to be more sensitive to diagnosis, as patients with schizophrenia spectrum disorders perform worse on this task than those with depression irrespective of the presence of PDs. The psychological anomalies associated with PDs examined here are transdiagnostic but different measures of ToM may be more or less sensitive to indices of severity of the PDs, diagnosis and trait- or state-related cognitive effects.

  6. A Theory of Mind investigation into the appreciation of visual jokes in schizophrenia

    Directory of Open Access Journals (Sweden)

    Owens David

    2005-02-01

    Full Text Available Abstract Background There is evidence that groups of people with schizophrenia have deficits in Theory of Mind (ToM capabilities. Previous studies have found these to be linked to psychotic symptoms (or psychotic symptom severity particularly the presence of delusions and hallucinations. Methods A visual joke ToM paradigm was employed where subjects were asked to describe two types of cartoon images, those of a purely Physical nature and those requiring inferences of mental states for interpretation, and to grade them for humour and difficulty. Twenty individuals with a DSM-lV diagnosis of schizophrenia and 20 healthy matched controls were studied. Severity of current psychopathology was measured using the Krawiecka standardized scale of psychotic symptoms. IQ was estimated using the Ammons and Ammons quick test. Results Individuals with schizophrenia performed significantly worse than controls in both conditions, this difference being most marked in the ToM condition. No relationship was found for poor ToM performance and psychotic positive symptomatology, specifically delusions and hallucinations. Conclusion There was evidence for a compromised ToM capability in the schizophrenia group on this visual joke task. In this instance this could not be linked to particular symptomatology.

  7. Women's preferences for contralateral prophylactic mastectomy: An investigation using protection motivation theory.

    Science.gov (United States)

    Tesson, Stephanie; Richards, Imogen; Porter, David; Phillips, Kelly-Anne; Rankin, Nicole; Musiello, Toni; Marven, Michelle; Butow, Phyllis

    2016-05-01

    Most women diagnosed with unilateral breast cancer without BRCA1 or BRCA2 mutations are at low risk of contralateral breast cancer. Contralateral Prophylactic Mastectomy (CPM) decreases the relative risk of contralateral breast cancer, but may not increase life expectancy; yet international uptake is increasing. This study applied protection motivation theory (PMT) to determine factors associated with women's intentions to undergo CPM. Three hundred eighty-eight women previously diagnosed with unilateral breast cancer and of negative or unknown BRCA1 or BRCA2 status were recruited from an advocacy group's research database. Participants completed measures of PMT constructs based on a common hypothetical CPM decision-making scenario. PMT constructs explained 16% of variance in intentions to undergo CPM. Response efficacy (CPM's advantages) and response costs (CPM's disadvantages) were unique individual predictors of intentions. Decision-making appears driven by considerations of the psychological, cosmetic and emotional advantages and disadvantages of CPM. Overestimations of threat to life from contralateral breast cancer and survival benefit from CPM also appear influential factors. Patients require balanced and medically accurate information regarding the pros and cons of CPM, survival rates, and recurrence risks to ensure realistic and informed decision-making.

  8. Women's preferences for selective estrogen reuptake modulators: an investigation using protection motivation theory.

    Science.gov (United States)

    Ralph, Angelique F; Ager, Brittany; Bell, Melanie L; Collins, Ian M; Andrews, Lesley; Tucker, Kathy; Phillips, Kelly-Anne; Butow, Phyllis

    2014-07-01

    Selective estrogen receptor modulators (SERMs) reduce breast cancer risk by 38%. However, uptake is low and the reasons are not well understood. This study applied protection motivation theory (PMT) to determine factors associated with intention to take SERMs. Women at increased risk of breast cancer (N=107), recruited from two familial cancer clinics in Australia, completed a questionnaire containing measures of PMT constructs. Hierarchical multiple linear regression analysis was used to analyze the data. Forty-five percent of women said they would be likely or very likely to take SERMs in the future. PMT components accounted for 40% of variance in intention to take SERMs. Perceived vulnerability, severity and response efficacy appeared the most influential in women's decisions to take or not take SERMs. Many women are interested in SERMs as a risk management option. Accurate risk estimation and an understanding of the benefits of SERMs are critical to women's decision making. Health professionals need to explore women's perceptions of their risk and its consequences, as well as providing clear evidence-based information about the efficacy of SERMs. Exploring the source and strength of beliefs about SERMs may allow more effective, tailored counseling. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  9. Contributions of metacognitive and self-regulated learning theories to investigations of calibration of comprehension

    Directory of Open Access Journals (Sweden)

    Stephanie Stolp

    2009-10-01

    Full Text Available In this paper we examine the contributions of metacognitive and self-regulated learning theories to research on students' calibration of comprehension. Historically, cognitive psychologists have studied calibration of comprehension within a purely metacognitive framework, with an emphasis on the role of text and task factors but little consideration of factors of self. There has been a recent trend, however, towards incorporating a social cognitive perspective to the study of calibration of comprehension, with factors of self such as motivation and affect being examined more often. Among the factors of self that have been examined, self-efficacy has played a major role as it may be all but impossible to disentangle its influence on students' calibration of comprehension. Other variables of self that have been examined include ability, familiarity, ego and goal-orientation, goal setting, personality traits and susceptibility to social and cultural influences. Broadening the context in which calibration of comprehension is assessed allows a more complete examination of the rich set of interrelated processes that affect students' performance.

  10. Investigation of social cognitive career theory for minority recruitment in school psychology.

    Science.gov (United States)

    Bocanegra, Joel O; Gubi, Aaron A; Cappaert, Kevin J

    2016-06-01

    School psychology trainers have historically struggled to adequately increase the number of professionals from diverse backgrounds. An increase in diverse providers is important in meeting the needs of a burgeoning racial/ethnic minority student population. Previous research suggests that minority undergraduate psychology students have less knowledge and exposure to school psychology than for counseling and clinical psychology, and that students with greater exposure or knowledge of school psychology reported significantly greater choice intentions for school psychology. The purpose of this study is to test the applicability of the Social Cognitive Career Theory (SCCT; Lent, Brown, & Hackett, 1994) in explaining minority undergraduate psychology students' choice intentions for school psychology. This study is an analysis of existing data and is based on a national sample of 283 minority undergraduate psychology students. All instruments used in this study were found to have internal consistency ranging from .83 to .91. Students' learning experiences, self-efficacy, outcome expectations, and choice intentions for school psychology were evaluated by way of a mediator analysis. Results from a path analysis suggest that outcome expectations mediated the relationship between exposure and choice intentions for school psychology. Implications for minority recruitment practices are discussed. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  11. Adaptive Disturbance Tracking Theory with State Estimation and State Feedback for Region II Control of Large Wind Turbines

    Science.gov (United States)

    Balas, Mark J.; Thapa Magar, Kaman S.; Frost, Susan A.

    2013-01-01

    A theory called Adaptive Disturbance Tracking Control (ADTC) is introduced and used to track the Tip Speed Ratio (TSR) of 5 MW Horizontal Axis Wind Turbine (HAWT). Since ADTC theory requires wind speed information, a wind disturbance generator model is combined with lower order plant model to estimate the wind speed as well as partial states of the wind turbine. In this paper, we present a proof of stability and convergence of ADTC theory with lower order estimator and show that the state feedback can be adaptive.

  12. Investigating Postgraduate College Admission Interviews: Generalizability Theory Reliability and Incremental Predictive Validity

    Science.gov (United States)

    Arce-Ferrer, Alvaro J.; Castillo, Irene Borges

    2007-01-01

    The use of face-to-face interviews is controversial for college admissions decisions in light of the lack of availability of validity and reliability evidence for most college admission processes. This study investigated reliability and incremental predictive validity of a face-to-face postgraduate college admission interview with a sample of…

  13. Investigating Strength and Frequency Effects in Recognition Memory Using Type-2 Signal Detection Theory

    Science.gov (United States)

    Higham, Philip A.; Perfect, Timothy J.; Bruno, Davide

    2009-01-01

    Criterion- versus distribution-shift accounts of frequency and strength effects in recognition memory were investigated with Type-2 signal detection receiver operating characteristic (ROC) analysis, which provides a measure of metacognitive monitoring. Experiment 1 demonstrated a frequency-based mirror effect, with a higher hit rate and lower…

  14. An Investigation of Mobile Learning Readiness in Higher Education Based on the Theory of Planned Behavior

    Science.gov (United States)

    Cheon, Jongpil; Lee, Sangno; Crooks, Steven M.; Song, Jaeki

    2012-01-01

    This study investigated the current state of college students' perceptions toward mobile learning in higher education. Mobile learning is a new form of learning utilizing the unique capabilities of mobile devices. Although mobile devices are ubiquitous on college campuses, student readiness for mobile learning has yet to be fully explored in the…

  15. Response to Discussion of "Investigation of Oxide Bifilms in Investment Cast Superalloy IN100 Part I and II"

    Science.gov (United States)

    Kaplan, M. A.; Fuchs, G. E.

    2017-10-01

    In his most recent letter (Campbell in Met Trans A, 2017), Professor Campbell provides additional comments on Kaplan and Fuchs papers "Oxides Bifilms in Superalloy: IN100, Parts I and II (Met Trans A 47A:2346-2361, 2016; Met Trans A 47A:2362-2375, 2016) and on their response to his initial comments (Met Trans A 47A:3806-3809, 2016). In this recent submission, Campbell provides some very interesting thoughts on why bifilms were not observed by Kaplan and Fuchs and creates a new theory for the formation of defects referred to as bifilms. However, Campbell again provides no evidence to substantiate the presence of bifilms in Ni-base superalloys or his newly theorized mechanism. The vast majority of Campbell's comments are based solely on the re-interpretation of the photomicrographs and the data reported in the literature, including those presented by Kaplan and Fuchs (Met Trans A 47A:2346-2361, 2016; Met Trans A 47A:2362-2375, 2016). Campbell claims that bifilms are present throughout Ni-base superalloys, even though no one else has reported the presence of bifilms in Ni-base superalloys. In re-interpreting the data and images, Campbell ignores the extensive surface characterization results reported by Kaplan and Fuchs (Met Trans A 47A:2346-2361, 2016; Met Trans A 47A:2362-2375, 2016) that clearly indicate that there are no oxide films or bifilms on the fracture surfaces examined. Please note that this discussion of Campbell's most recent letter will be limited to Ni-base superalloys, since that is the subject of the research reported by Kaplan and Fuchs.

  16. Transition operators in acoustic-wave diffraction theory. I - General theory. II - Short-wavelength behavior, dominant singularities of Zk0 and Zk0 exp -1

    Science.gov (United States)

    Hahne, G. E.

    1991-01-01

    A formal theory of the scattering of time-harmonic acoustic scalar waves from impenetrable, immobile obstacles is established. The time-independent formal scattering theory of nonrelativistic quantum mechanics, in particular the theory of the complete Green's function and the transition (T) operator, provides the model. The quantum-mechanical approach is modified to allow the treatment of acoustic-wave scattering with imposed boundary conditions of impedance type on the surface (delta-Omega) of an impenetrable obstacle. With k0 as the free-space wavenumber of the signal, a simplified expression is obtained for the k0-dependent T operator for a general case of homogeneous impedance boundary conditions for the acoustic wave on delta-Omega. All the nonelementary operators entering the expression for the T operator are formally simple rational algebraic functions of a certain invertible linear radiation impedance operator which maps any sufficiently well-behaved complex-valued function on delta-Omega into another such function on delta-Omega. In the subsequent study, the short-wavelength and the long-wavelength behavior of the radiation impedance operator and its inverse (the 'radiation admittance' operator) as two-point kernels on a smooth delta-Omega are studied for pairs of points that are close together.

  17. Using Normalisation Process Theory to investigate the implementation of school-based oral health promotion.

    Science.gov (United States)

    Olajide, O J; Shucksmith, J; Maguire, A; Zohoori, F V

    2017-09-01

    Despite the considerable improvement in oral health of children in the UK over the last forty years, a significant burden of dental caries remains prevalent in some groups of children, indicating the need for more effective oral health promotion intervention (OHPI) strategies in this population. To explore the implementation process of a community-based OHPI, in the North East of England, using Normalisation Process Theory (NPT) to provide insights on how effectiveness could be maximised. Utilising a generic qualitative research approach, 19 participants were recruited into the study. In-depth interviews were conducted with relevant National Health Service (NHS) staff and primary school teachers while focus group discussions were conducted with reception teachers and teaching assistants. Analyses were conducted using thematic analysis with emergent themes mapped onto NPT constructs. Participants highlighted the benefits of OHPI and the need for evidence in practice. However, implementation of 'best evidence' was hampered by lack of adequate synthesis of evidence from available clinical studies on effectiveness of OHPI as these generally have insufficient information on the dynamics of implementation and how effectiveness obtained in clinical studies could be achieved in 'real life'. This impacted on the decision-making process, levels of commitment, collaboration among OHP teams, resource allocation and evaluation of OHPI. A large gap exists between available research evidence and translation of evidence in OHPI in community settings. Effectiveness of OHPI requires not only an awareness of evidence of clinical effectiveness but also synthesised information about change mechanisms and implementation protocols. Copyright© 2017 Dennis Barber Ltd.

  18. Conformally reduced WZNW theory, new extended chiral algebras and their associated Toda type integrable systems (II) an example

    International Nuclear Information System (INIS)

    Hou Boyu; Zhao Liu

    1993-01-01

    As an example and application of the method of the previous work, the authors construct explicitly the W algebra W[p q p] 2 ] by the use of the canonical formalism of the corresponding generalized Toda theory, namely the (p q p) 2 Toda theory. Then the authors discuss various special limits of W[p q p) 2 ] and point out the isomorphism between W[(p q p) 2 ] and W[(p q + p) 1

  19. Molecular docking and spectroscopic investigations aided by density functional theory of Parkinson's drug 2-(3,4-dihydroxyphenyl)ethylamine

    Science.gov (United States)

    Sherlin, Y. Sheeba; Vijayakumar, T.; Roy, S. D. D.; Jayakumar, V. S.

    2018-05-01

    Molecular geometry of Parkinson's drug 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride (Dopamine, DA) has been evaluated and compared with experimental XRD data. Molecular docking and vibrational spectral analysis of DA have been carried out using FT-Raman and FT-IR spectra aided by Density Functional Theory at B3LYP/6-311++G(d,p). The present investigation deals with the analysis of structural and spectral features responsible for drug activities, nature of hydrogen bonding interactions of the molecule and the correlation of Parkinson's nature with its molecular structural features.

  20. Investigation of Multiconfigurational Short-Range Density Functional Theory for Electronic Excitations in Organic Molecules

    DEFF Research Database (Denmark)

    Hubert, Mickaël; Hedegård, Erik D.; Jensen, Hans Jørgen Aa

    2016-01-01

    -srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2......Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become...... and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC...

  1. A Net of Friends: Investigating Friendship by Integrating Attachment Theory and Social Network Analysis.

    Science.gov (United States)

    Gillath, Omri; Karantzas, Gery C; Selcuk, Emre

    2017-11-01

    The current article focuses on attachment style-an individual difference widely studied in the field of close relationships-and its application to the study of social networks. Specifically, we investigated whether attachment style predicts perception and management of social networks. In Study 1, we examined the associations of attachment style with perceptions of network tie strength and multiplexity. In Studies 2a and 2b, we investigated the association between attachment style and network management skills (initiating, maintaining, and dissolving ties) and whether network management skills mediated the associations of attachment style with network tie strength and multiplexity. In Study 3, experimentally enhancing attachment security made people more likely to initiate and less likely to dissolve social ties (for the latter, especially among those high on avoidance or anxiety). As for maintenance, security priming also increased maintenance; however, mainly among people high on attachment anxiety or low on attachment avoidance.

  2. Multimodal Kelvin Probe Force Microscopy Investigations of a Photovoltaic WSe2/MoS2 Type-II Interface.

    Science.gov (United States)

    Almadori, Yann; Bendiab, Nedjma; Grévin, Benjamin

    2018-01-10

    Atomically thin transition-metal dichalcogenides (TMDC) have become a new platform for the development of next-generation optoelectronic and light-harvesting devices. Here, we report a Kelvin probe force microscopy (KPFM) investigation carried out on a type-II photovoltaic heterojunction based on WSe 2 monolayer flakes and a bilayer MoS 2 film stacked in vertical configuration on a Si/SiO 2 substrate. Band offset characterized by a significant interfacial dipole is pointed out at the WSe 2 /MoS 2 vertical junction. The photocarrier generation process and phototransport are studied by applying a differential technique allowing to map directly two-dimensional images of the surface photovoltage (SPV) over the vertical heterojunctions (vHJ) and in its immediate vicinity. Differential SPV reveals the impact of chemical defects on the photocarrier generation and that negative charges diffuse in the MoS 2 a few hundreds of nanometers away from the vHJ. The analysis of the SPV data confirms unambiguously that light absorption results in the generation of free charge carriers that do not remain coulomb-bound at the type-II interface. A truly quantitative determination of the electron-hole (e-h) quasi-Fermi levels splitting (i.e., the open-circuit voltage) is achieved by measuring the differential vacuum-level shift over the WSe 2 flakes and the MoS 2 layer. The dependence of the energy-level splitting as a function of the optical power reveals that Shockley-Read-Hall processes significantly contribute to the interlayer recombination dynamics. Finally, a newly developed time-resolved mode of the KPFM is applied to map the SPV decay time constants. The time-resolved SPV images reveal the dynamics of delayed recombination processes originating from photocarriers trapping at the SiO 2 /TMDC interfaces.

  3. An overview of the MIZ-1 borehole investigations during phase I/II. MIZ-1 progress report 03-01

    International Nuclear Information System (INIS)

    Ota, Kunio; Takeuchi, Shinji; Ikeda, Koki

    2004-05-01

    Surface-based investigations have now been carried out, in a step-by-step fashion, with the main aims of the development of conceptual models of the geological environment and the enhancement of the understanding of the undisturbed deep geological environment before excavation of the shafts and experimental drifts. The MIZ-1 borehole investigation programme was launched in December 2002, as a step of the field investigations at the MIU Construction Site. The overall goals of the MIZ-1 borehole investigations are to characterise the geological environment from the surface to over 1,000 m depth in the crystalline basement, to establish baseline conditions before excavation of the shafts and experimental drifts, and to provide a deep borehole for observing hydraulic responses during the shaft and drift excavation and experiments in the drifts during the Construction and the Operation Phases. The borehole is planned to be drilled in an overall south-westerly direction from the north-eastern area of the MIU Site. The planned inclination varies from vertical at shallower depths to 12deg from vertical at greater depths down to 1,350 m along the borehole length, which will be achieved by controlled directional drilling. In MIZ-1 Phase I/II (from March to May 2003), the borehole was drilled vertically, through the entire sedimentary formations, down to 123.00 m in the uppermost part of the Toki granite at the MIU Construction Site. The new method of wireline core drilling with a downhole motor was introduced for the drilling. Planned geological, geophysical and hydrochemical investigations and complementary hydraulic and hydrochemical monitoring were performed. In addition, as a complete loss of drilling fluid was encountered at 115.85 m along the borehole length, modified work procedures resulted in the execution of hydraulic tests with groundwater sampling, from necessity, in that section and of further drilling work. The local QC system was applied to all the

  4. Predicting mothers' decisions to introduce complementary feeding at 6 months. An investigation using an extended theory of planned behaviour.

    Science.gov (United States)

    Hamilton, Kyra; Daniels, Lynne; White, Katherine M; Murray, Nicole; Walsh, Anne

    2011-06-01

    In Australia and other developed countries there is poor adherence to guidelines recommending the introduction of complementary feeding to infants at 6 months of age. We aimed to investigate, via adopting a theory of planned behaviour framework and incorporating additional normative and demographic influences, mothers' complementary feeding intentions and behaviour. Participants were 375 primiparas who completed an initial questionnaire (infant age 13±3 weeks) that assessed the theory of planned behaviour constructs of attitude, subjective norm, and perceived behavioural control, as well as group norm and additional maternal and infant variables of mothers' age, education level, weight status perception, current maternal feeding practices, and infant birth weight. Approximately, 3 months after completion of the main questionnaire, mothers completed a follow-up questionnaire that assessed the age in months at which the infant was first introduced to solids. The theory of planned behaviour variables of attitude and subjective norm, along with group norm, predicted intentions, with intention, mothers' age (older more likely), and weight status perception (overweight less likely) predicting behaviour. Overall, the results highlight the importance of attitudes, normative influences, and individual characteristics in complementary feeding decision-making which should be considered when designing interventions aimed at improving adherence to current maternal feeding guidelines. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

  5. Serotonin and Dopamine Gene Variation and Theory of Mind Decoding Accuracy in Major Depression: A Preliminary Investigation.

    Science.gov (United States)

    Zahavi, Arielle Y; Sabbagh, Mark A; Washburn, Dustin; Mazurka, Raegan; Bagby, R Michael; Strauss, John; Kennedy, James L; Ravindran, Arun; Harkness, Kate L

    2016-01-01

    Theory of mind-the ability to decode and reason about others' mental states-is a universal human skill and forms the basis of social cognition. Theory of mind accuracy is impaired in clinical conditions evidencing social impairment, including major depressive disorder. The current study is a preliminary investigation of the association of polymorphisms of the serotonin transporter (SLC6A4), dopamine transporter (DAT1), dopamine receptor D4 (DRD4), and catechol-O-methyl transferase (COMT) genes with theory of mind decoding in a sample of adults with major depression. Ninety-six young adults (38 depressed, 58 non-depressed) completed the 'Reading the Mind in the Eyes task' and a non-mentalistic control task. Genetic associations were only found for the depressed group. Specifically, superior accuracy in decoding mental states of a positive valence was seen in those homozygous for the long allele of the serotonin transporter gene, 9-allele carriers of DAT1, and long-allele carriers of DRD4. In contrast, superior accuracy in decoding mental states of a negative valence was seen in short-allele carriers of the serotonin transporter gene and 10/10 homozygotes of DAT1. Results are discussed in terms of their implications for integrating social cognitive and neurobiological models of etiology in major depression.

  6. Serotonin and Dopamine Gene Variation and Theory of Mind Decoding Accuracy in Major Depression: A Preliminary Investigation.

    Directory of Open Access Journals (Sweden)

    Arielle Y Zahavi

    Full Text Available Theory of mind-the ability to decode and reason about others' mental states-is a universal human skill and forms the basis of social cognition. Theory of mind accuracy is impaired in clinical conditions evidencing social impairment, including major depressive disorder. The current study is a preliminary investigation of the association of polymorphisms of the serotonin transporter (SLC6A4, dopamine transporter (DAT1, dopamine receptor D4 (DRD4, and catechol-O-methyl transferase (COMT genes with theory of mind decoding in a sample of adults with major depression. Ninety-six young adults (38 depressed, 58 non-depressed completed the 'Reading the Mind in the Eyes task' and a non-mentalistic control task. Genetic associations were only found for the depressed group. Specifically, superior accuracy in decoding mental states of a positive valence was seen in those homozygous for the long allele of the serotonin transporter gene, 9-allele carriers of DAT1, and long-allele carriers of DRD4. In contrast, superior accuracy in decoding mental states of a negative valence was seen in short-allele carriers of the serotonin transporter gene and 10/10 homozygotes of DAT1. Results are discussed in terms of their implications for integrating social cognitive and neurobiological models of etiology in major depression.

  7. Tetra- and octa-[4-(2-hydroxyethyl)phenoxy bearing novel metal-free and zinc(II) phthalocyanines: Synthesis, characterization and investigation of photophysicochemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Köksoy, Baybars [Marmara University, Department of Chemistry, 34722 Kadıköy, Istanbul (Turkey); Durmuş, Mahmut [Gebze Technical University, Department of Chemistry, 41400 Gebze, Kocaeli (Turkey); Bulut, Mustafa, E-mail: mbulut@marmara.edu.tr [Marmara University, Department of Chemistry, 34722 Kadıköy, Istanbul (Turkey)

    2015-05-15

    In this study, four novel phthalonitriles (1–4) and their corresponding metal-free (5–8) and zinc(II) phthalocyanine derivatives (9–12) bearing 4-(hydroxyethyl)phenoxy groups were synthesized. These novel compounds were characterized by IR, elemental analyses, {sup 1}H-NMR, UV–vis, and MALDI-TOF spectral data. Furthermore, photophysical (fluorescence quantum yields and lifetimes) and photochemical properties (singlet oxygen generation and photodegradation quantum yields) of these phthalocyanines were investigated in dimethylsulfoxide. The studied zinc(II) phthalocyanines generated highly singlet oxygen which is very important for the photodynamic therapy (PDT) of cancer. The fluorescence quenching behaviour of the newly synthesized phthalocyanine compounds were also investigated using 1,4-benzoquinone. - Highlights: • Octa and tetra 4-(hydroxyethyl)phenoxy substituted metal-free and zinc(II) phthalocyanines. • Study of photophysicochemical properties of eight new phthalocyanines. • Highly singlet oxygen generation for novel zinc(II) phthalocyanine photosensitizers.

  8. Application of Protection Motivation Theory to Investigate Sustainable Waste Management Behaviors

    Directory of Open Access Journals (Sweden)

    Piyapong Janmaimool

    2017-06-01

    Full Text Available The aim of this study is to explain individuals’ engagement in sustainable waste management behaviors (SWMBs based on the application of protection motivation theory (PMT. SWMBs include waste avoidance, green purchasing, reuse and recycle, and waste disposal behaviors. Considering the amount of solid waste generation per capita per day during the past 10 years, the statistical records from the Bangkok Metropolitan Administration (BMA illustrate the increasing trend of solid waste generation from 1.18 kg per capita per day in 2005 to 1.28 kg per capita per day 2015. Many scholars have asserted that human beings should alter their behaviors to successfully reduce their environmental impact. Several environmental problems (e.g., air pollution, water pollution, and odors caused by waste disposal are consequences of human behaviors; therefore, citizens’ engagement in SWMBs should be widely promoted. This study applies PMT to explore how individuals’ SWMBs are influenced by their perceived threats caused by environmental contamination from waste disposal and their perceived coping capability. The Bangkok metropolitan area was selected as a case study because it has faced serious waste management problems, caused by increasing amounts of solid waste over the last ten years. Questionnaire surveys were administered to 193 public and private office workers residing in the city of Bangkok. Multiple linear regression analyses were performed to justify the effects of individual threat appraisal and coping appraisal on SWMB engagement. The results illustrated that respondents’ self-efficacy could explain all types of SWMBs. On the contrary, response efficacy was not a significant predictor of all behaviors. People’s perceived severity of adverse consequences caused by pollutants could significantly explain their waste disposal and reuse and recycle behaviors, and the perceived probability of being impacted by pollutants could explain only reuse and

  9. Transients from initial conditions based on Lagrangian perturbation theory in N-body simulations II: the effect of the transverse mode

    International Nuclear Information System (INIS)

    Tatekawa, Takayuki

    2014-01-01

    We study the initial conditions for cosmological N-body simulations for precision cosmology. In general, Zel'dovich approximation has been applied for the initial conditions of N-body simulations for a long time. These initial conditions provide incorrect higher-order growth. These error caused by setting up the initial conditions by perturbation theory is called transients. We investigated the impact of transient on non-Gaussianity of density field by performing cosmological N-body simulations with initial conditions based on first-, second-, and third-order Lagrangian perturbation theory in previous paper. In this paper, we evaluates the effect of the transverse mode in the third-order Lagrangian perturbation theory for several statistical quantities such as power spectrum and non-Gaussianty. Then we clarified that the effect of the transverse mode in the third-order Lagrangian perturbation theory is quite small

  10. Investigating strength and frequency effects in recognition memory using type-2 signal detection theory.

    Science.gov (United States)

    Higham, Philip A; Perfect, Timothy J; Bruno, Davide

    2009-01-01

    Criterion- versus distribution-shift accounts of frequency and strength effects in recognition memory were investigated with Type-2 signal detection receiver operating characteristic (ROC) analysis, which provides a measure of metacognitive monitoring. Experiment 1 demonstrated a frequency-based mirror effect, with a higher hit rate and lower false alarm rate, for low frequency words compared with high frequency words. In Experiment 2, the authors manipulated item strength with repetition, which showed an increased hit rate but no effect on the false alarm rate. Whereas Type-1 indices were ambiguous as to whether these effects were based on a criterion- or distribution-shift model, the two models predict opposite effects on Type-2 distractor monitoring under some assumptions. Hence, Type-2 ROC analysis discriminated between potential models of recognition that could not be discriminated using Type-1 indices alone. In Experiment 3, the authors manipulated Type-1 response bias by varying the number of old versus new response categories to confirm the assumptions made in Experiments 1 and 2. The authors conclude that Type-2 analyses are a useful tool for investigating recognition memory when used in conjunction with more traditional Type-1 analyses.

  11. Subseabed disposal program annual report, January-December 1979. Volume II. Appendices (principal investigator progress reports). Part 2 of 2

    International Nuclear Information System (INIS)

    Talbert, D.M.

    1981-04-01

    Volume II of the sixth annual report describing the progress and evaluating the status of the Subseabed Disposal Program contains the appendices referred to in Volume II, Summary and Status. Because of the length of Volume II, it has been split into two parts for publication purposes. Part 1 contains Appendices A-O; Part 2 contains Appendices P-FF. Separate abstracts have been prepared for each appendix for inclusion in the Energy Data Base

  12. Investigation of active structural intensity control in finite beams: theory and experiment

    Science.gov (United States)

    Audrain; Masson; Berry

    2000-08-01

    An investigation of structural intensity control is presented in this paper. As opposed to previous work, the instantaneous intensity is completely taken into account in the control algorithm, i.e., all the terms are considered in the real-time control process and, in particular, the evanescent waves are considered in this approach. A finite difference approach using five accelerometers is used as the sensing scheme. A feedforward filtered-X least mean square algorithm is adapted to this energy-based control problem, involving a nonpositive definite quadratic form in general. In this respect, the approach is limited to cases where the geometry is such that the intensity component will have the same sign for the control source and the primary disturbance. Results from numerical simulations are first presented to illustrate the benefit of using a cost function based on structural intensity. Experimental validation of the approach is conducted on a free-free beam covered with viscoelastic material. A comparison is made between classical acceleration control and structural intensity control and the performance of both approaches is presented. These results confirm that using intensity control allows the error sensors to be placed closer to the control source and the primary disturbance, while preserving a good control performance.

  13. Empirical investigations into full-text protein interaction Article Categorization Task (ACT) in the BioCreative II.5 Challenge.

    Science.gov (United States)

    Lan, Man; Su, Jian

    2010-01-01

    The selection of protein interaction documents is one important application for biology research and has a direct impact on the quality of downstream BioNLP applications, i.e., information extraction and retrieval, summarization, QA, etc. The BioCreative II.5 Challenge Article Categorization task (ACT) involves doing a binary text classification to determine whether a given structured full-text article contains protein interaction information. This may be the first attempt at classification of full-text protein interaction documents in wide community. In this paper, we compare and evaluate the effectiveness of different section types in full-text articles for text classification. Moreover, in practice, the less number of true-positive samples results in unstable performance and unreliable classifier trained on it. Previous research on learning with skewed class distributions has altered the class distribution using oversampling and downsampling. We also investigate the skewed protein interaction classification and analyze the effect of various issues related to the choice of external sources, oversampling training sets, classifiers, etc. We report on the various factors above to show that 1) a full-text biomedical article contains a wealth of scientific information important to users that may not be completely represented by abstracts and/or keywords, which improves the accuracy performance of classification and 2) reinforcing true-positive samples significantly increases the accuracy and stability performance of classification.

  14. Behavior and mechanism of Ni(II) uptake on MnO2 by a combination of macroscopic and EXAFS investigation

    International Nuclear Information System (INIS)

    Guodong Sheng; Jiang Sheng; Shitong Yang; Ju Hu; Xiangke Wang

    2011-01-01

    The effects of pH, ionic strength, competing ions and initial metal concentrations on the uptake behavior and mechanism of radioactive Ni(II) onto MnO 2 was investigated using a combination of classical macroscopic methods and the extended X-ray absorption fine structure (EXAFS) spectroscopy technique. The results indicated that the uptake of Ni(II) on MnO 2 is obviously dependent on pH but independent of ionic strength, which suggested that the uptake of Ni(II) onto MnO 2 is attributed to an inner-sphere surface complex rather than an outer-sphere surface complex. EXAFS analysis shows that the hydrated Ni(II) is adsorbed through six-fold coordination with an average Ni-O interatomic distance of 2.04 ± 0.01 A. It can be inferred from the EXAFS analysis that the inner-sphere surface complex of Ni(II) onto MnO 2 is involved in both edge-sharing and corner-sharing linkages. Both the macroscopic uptake data and the molecular level evidence of Ni(II) surface speciation at the MnO 2 -water interfaces should be factored into better prediction of the bioavailability and mobility of Ni(II) in soil and water environment. (author)

  15. Reactors, Weapons, X-Rays, and Solar Panels: Using SCOT, Technological Frame, Epistemic Culture, and Actor Network Theory to Investigate Technology

    Science.gov (United States)

    Sovacool, Benjamin K.

    2006-01-01

    The article explores how four different theories have been used to investigate technology. It highlights the worth and limitations of each theory and argues that an eclectic, ever-evolving approach to the study of technology is warranted. (Contains 1 table.)

  16. Time-dependent observables in heavy ion collisions. Part II. In search of pressure isotropization in the φ 4 theory

    Science.gov (United States)

    Kovchegov, Yuri V.; Wu, Bin

    2018-03-01

    To understand the dynamics of thermalization in heavy ion collisions in the perturbative framework it is essential to first find corrections to the free-streaming classical gluon fields of the McLerran-Venugopalan model. The corrections that lead to deviations from free streaming (and that dominate at late proper time) would provide evidence for the onset of isotropization (and, possibly, thermalization) of the produced medium. To find such corrections we calculate the late-time two-point Green function and the energy-momentum tensor due to a single 2 → 2 scattering process involving two classical fields. To make the calculation tractable we employ the scalar φ 4 theory instead of QCD. We compare our exact diagrammatic results for these quantities to those in kinetic theory and find disagreement between the two. The disagreement is in the dependence on the proper time τ and, for the case of the two-point function, is also in the dependence on the space-time rapidity η: the exact diagrammatic calculation is, in fact, consistent with the free streaming scenario. Kinetic theory predicts a build-up of longitudinal pressure, which, however, is not observed in the exact calculation. We conclude that we find no evidence for the beginning of the transition from the free-streaming classical fields to the kinetic theory description of the produced matter after a single 2 → 2 rescattering.

  17. Student Assessment System. Domain Referenced Tests. Transportation/Automotive Mechanics. Volume II: Theory. Georgia Vocational Education Program Articulation.

    Science.gov (United States)

    Watkins, James F., Comp.

    These written domain referenced tests (DRTs) for the area of transportation/automotive mechanics test cognitive abilities or knowledge of theory. Introductory materials describe domain referenced testing and test development. Each multiple choice test includes a domain statement, describing the behavior and content of the domain, and a test item…

  18. Mode-coupling theory of self-diffusion in diblock copolymers. II. Model calculations and experimental comparisons

    International Nuclear Information System (INIS)

    Guenza, M.; Schweizer, K.S.

    1998-01-01

    The predictions of polymer-mode-coupling theory for self-diffusion in entangled structurally and interaction symmetric diblock copolymer fluids are illustrated by explicit numerical calculations. We find that retardation of translational motion emerges near and somewhat below the order endash disorder transition (ODT) in an approximately exponential and/or thermally activated manner. At fixed reduced temperature, suppression of diffusion is enhanced with increasing diblock molecular weight, compositional symmetry, and/or copolymer concentration. At very low temperatures, a new entropic-like regime of mobility suppression is predicted based on an isotropic supercooled liquid description of the copolymer structure. Preliminary generalization of the theory to treat diblock tracer diffusion is also presented. Quantitative applications to recent self and tracer diffusion measurements on compositionally symmetric polyolefin diblock materials have been carried out, and very good agreement between theory and experiment is found. Asymmetry in block local friction constants is predicted to significantly influence mobility suppression, with the largest effects occurring when the minority block is also the high friction species. New experiments to further test the predictions of the theory are suggested. copyright 1998 American Institute of Physics

  19. A Primary Investigation on Serum CTX-II Changes in Patients Infected with Brucellosis in Qinghai Plateau, China.

    Science.gov (United States)

    Zhao, Zhi Jun; Li, Qiang; Zhou, Xin; Ma, Li; Xu, Li Qing; Yang, Pei Zhen; Meng, Xian Ya; Yu, Hui Zhen; Xu, Xiao Qing; Cao, Jian Ying

    2016-03-01

    Brucellosis is one of the most widespread zoonotic diseases, with the most frequent complication being osteoarticular changes. The aim of this study was to assess the changes of C-terminal telopeptide of type II collagen (CTX-II) in patients infected with brucellosis. A total of 84 brucellosis patients and 43 volunteers were selected and divided into brucellosis vs. control groups. Serum samples were subjected to serological tests for brucellosis, and CTX-II levels in all samples were measured simultaneously with ELISA. The results showed that serum CTX-II levels in human brucellosis were higher than those of healthy controls, without a statistically significant difference, but serum CTX-II levels in male patients were significantly higher than those of female patients (Pbrucellosis. Copyright © 2016 The Editorial Board of Biomedical and Environmental Sciences. Published by China CDC. All rights reserved.

  20. Binding affinities of Schiff base Fe(II) complex with BSA and calf-thymus DNA: Spectroscopic investigations and molecular docking analysis

    Science.gov (United States)

    Rudra, Suparna; Dasmandal, Somnath; Patra, Chiranjit; Kundu, Arjama; Mahapatra, Ambikesh

    2016-09-01

    The binding interaction of a synthesized Schiff base Fe(II) complex with biological macromolecules viz., bovine serum albumin (BSA) and calf thymus(ct)-DNA have been investigated using different spectroscopic techniques coupled with viscosity measurements at physiological pH and 298 K. Regular amendments in emission intensities of BSA upon the action of the complex indicate significant interaction between them, and the binding interaction have been characterized by Stern Volmer plots and thermodynamic binding parameters. On the basis of this quenching technique one binding site with binding constant (Kb = (7.6 ± 0.21) × 105) between complex and protein have been obtained at 298 K. Time-resolved fluorescence studies have also been encountered to understand the mechanism of quenching induced by the complex. Binding affinities of the complex to the fluorophores of BSA namely tryptophan (Trp) and tyrosine (Tyr) have been judged by synchronous fluorescence studies. Secondary structural changes of BSA rooted by the complex has been revealed by CD spectra. On the other hand, hypochromicity of absorption spectra of the complex with the addition of ct-DNA and the gradual reduction in emission intensities of ethidium bromide bound ct-DNA in presence of the complex indicate noticeable interaction between ct-DNA and the complex with the binding constant (4.2 ± 0.11) × 106 M- 1. Life-time measurements have been studied to determine the relative amplitude of binding of the complex to ct-DNA base pairs. Mode of binding interaction of the complex with ct-DNA has been deciphered by viscosity measurements. CD spectra have also been used to understand the changes in ct-DNA structure upon binding with the metal complex. Density functional theory (DFT) and molecular docking analysis have been employed in highlighting the interactive phenomenon and binding location of the complex with the macromolecules.

  1. Theoretical investigation, biological evaluation and VEGFR2 kinase studies of metal(II) complexes derived from hydrotris(methimazolyl)borate.

    Science.gov (United States)

    Jayakumar, S; Mahendiran, D; Srinivasan, T; Mohanraj, G; Kalilur Rahiman, A

    2016-02-01

    The reaction of soft tripodal scorpionate ligand, sodium hydrotris(methimazolyl)borate with M(ClO4)2·6H2O [MMn(II), Ni(II), Cu(II) or Zn(II)] in methanol leads to the cleavage of B-N bond followed by the formation of complexes of the type [M(MeimzH)4](ClO4)2·H2O (1-4), where MeimzH=methimazole. All the complexes were fully characterized by spectro-analytical techniques. The molecular structure of the zinc(II) complex (4) was determined by X-ray crystallography, which supports the observed deboronation reaction in the scorpionate ligand with tetrahedral geometry around zinc(II) ion. The electronic spectra of complexes suggested tetrahedral geometry for manganese(II) and nickel(II) complexes, and square-planar geometry for copper(II) complex. Frontier molecular orbital analysis (HOMO-LUMO) was carried out by B3LYP/6-31G(d) to understand the charge transfer occurring in the molecules. All the complexes exhibit significant antimicrobial activity against Gram (-ve) and Gram (+ve) bacterial as well as fungal strains, which are quite comparable to standard drugs streptomycin and clotrimazole. The copper(II) complex (3) showed excellent free radical scavenging activity against DPPH in all concentration with IC50 value of 30μg/mL, when compared to the other complexes. In the molecular docking studies, all the complexes showed hydrophobic, π-π and hydrogen bonding interactions with BSA. The cytotoxic activity of the complexes against human hepatocellular liver carcinoma (HepG2) cells was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Haematological malignancies in childhood in Croatia: Investigating the theories of depleted uranium, chemical plant damage and 'population mixing'

    International Nuclear Information System (INIS)

    Labar, B.; Rudan, I.; Ivankovic, D.; Biloglav, Z.; Mrsic, M.; Strnad, M.; Fucic, A.; Znaor, A.; Bradic, T.; Campbell, H.

    2004-01-01

    Some of potential causes proposed to explain the reported increase of haematological malignancies in childhood during or after the war period in several countries include depleted uranium, chemical pollution and population mixing theory. The aim of this study was to define the population of Croatian children aged 0-14 years who were potentially exposed to each of those risks during the war and to investigate any possible association between the exposure and the incidence of haematological malignancies. The authors analyzed the data reported by the Cancer Registry of Croatia during the pre-war period (1986-1990), war period (1991-1995) and post-war period (1996-1999). In the group of 10 counties potentially exposed to depleted uranium and two counties where chemical war damage occurred, no significant difference in incidence of the studied haematological malignancies was noted in comparison to pre-war period. The incidence of lymphatic leukaemia significantly increased in four counties where population mixing had occurred during the war period, supporting the 'mixing theory'. In those counties, the incidence of Hodgkin's lymphoma decreased during and after the war. In Croatia as a whole, decreases in incidence of myeloid leukaemias during war and non-Hodgkin lymphoma after the war were noted

  3. Potential drug – nanosensor conjugates: Raman, infrared absorption, surface – enhanced Raman, and density functional theory investigations of indolic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pięta, Ewa, E-mail: Ewa.Pieta@ifj.edu.pl [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland); Paluszkiewicz, Czesława [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland); Oćwieja, Magdalena [J. Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, PL-30239 Krakow (Poland); Kwiatek, Wojciech M. [Institute of Nuclear Physics, Polish Academy of Sciences, PL-31342 Krakow (Poland)

    2017-05-15

    Highlights: • Molecular fragments involved in the adsorption process were determined. • Formation of hydrogen bonds with the negatively charged gold substrates was observed. • Indole moiety strongly interacts with gold nanosensors. • The synthesized sensors are characterized by high stability and reproducibility. • Chemical mechanism plays a crucial role in the enhancement of the Raman signal. - Abstract: An extremely important aspect of planning cancer treatment is not only the drug efficiency but also a number of challenges associated with the side effects and control of this process. That is why it is worth paying attention to the promising potential of the gold nanoparticles combined with a compound treated as a potential drug. This work presents Raman (RS), infrared absorption (IR) and surface–enhanced Raman scattering (SERS) spectroscopic investigations of N–acetyl–5–methoxytryptamine (melatonin) and α–methyl–DL–tryptophan, regarding as anti breast cancer agents. The experimental spectroscopic analysis was supported by the quantum-chemical calculations based on the B3LYP hybrid density functional theory (DFT) at the B3LYP 6–311G(d,p) level of theory. The studied compounds were adsorbed onto two colloidal gold nanosensors synthesized by a chemical reduction method using sodium borohydride (SB) and trisodium citrate (TC), respectively. Its morphology characteristics were obtained using transmission electron microscopy (TEM). It has been suggested that the NH moiety from the aromatic ring, a well-known proton donor, causes the formation of hydrogen bonds with the negatively charged gold surface.

  4. Investigation of non-corrin cobalt(II)-containing sites in protein structures of the Protein Data Bank.

    Science.gov (United States)

    Abriata, Luciano Andres

    2013-04-01

    Protein X-ray structures with non-corrin cobalt(II)-containing sites, either natural or substituting another native ion, were downloaded from the Protein Data Bank and explored to (i) describe which amino acids are involved in their first ligand shells and (ii) analyze cobalt(II)-donor bond lengths in comparison with previously reported target distances, CSD data and EXAFS data. The set of amino acids involved in Co(II) binding is similar to that observed for catalytic Zn(II) sites, i.e. with a large fraction of carboxylate O atoms from aspartate and glutamate and aromatic N atoms from histidine. The computed Co(II)-donor bond lengths were found to depend strongly on structure resolution, an artifact previously detected for other metal-donor distances. Small corrections are suggested for the target bond lengths to the aromatic N atoms of histidines and the O atoms of water and hydroxide. The available target distance for cysteine (Scys) is confirmed; those for backbone O and other donors remain uncertain and should be handled with caution in refinement and modeling protocols. Finally, a relationship between both Co(II)-O bond lengths in bidentate carboxylates is quantified.

  5. Investigation of irradiated rats DNA in the presence of Cu(II) chelates of amino acids Schiff bases.

    Science.gov (United States)

    Karapetyan, N H; Torosyan, A L; Malakyan, M; Bajinyan, S A; Haroutiunian, S G

    2016-01-01

    The new synthesized Cu(II) chelates of amino acids Schiff bases were studied as a potential radioprotectors. Male albino rats of Wistar strain were exposed to X-ray whole-body irradiation at 4.8 Gy. This dose caused 30% mortality of the animals (LD30). The survival of animals exposed to radiation after preliminary administration of 10 mg/kg Cu(II)(Nicotinyl-L-Tyrosinate)2 or Cu(II)(Nicotinyl-L-Tryptophanate)2 prior to irradiation was registered about 80 and 100% correspondingly. Using spectrophotometric melting and agarose gel electrophoresis methods, the differences between the DNA isolated from irradiated rats and rats pretreated with Cu(II) chelates were studied. The fragments of DNA with different breaks were revealed in DNA samples isolated from irradiated animals. While, the repair of the DNA structure was observed for animals pretreated with the Cu(II) chelates. The results suggested that pretreatment of the irradiated rats with Cu(II)(Nicotinyl-L-Tyrosinate)2 and Cu(II)(Nicotinyl-L-Tryptophanate)2 compounds improves the liver DNA characteristics.

  6. Formalism for testing theories of gravity using lensing by compact objects. II. Probing post-post-Newtonian metrics

    International Nuclear Information System (INIS)

    Keeton, Charles R.; Petters, A.O.

    2006-01-01

    We study gravitational lensing by compact objects in gravity theories that can be written in a post-post-Newtonian (PPN) framework: i.e., the metric is static and spherically symmetric, and can be written as a Taylor series in m /r, where m is the gravitational radius of the compact object. Working invariantly, we compute corrections to standard weak-deflection lensing observables at first and second order in the perturbation parameter ε=θ/θ E , where θ is the angular gravitational radius and θ E is the angular Einstein ring radius of the lens. We show that the first-order corrections to the total magnification and centroid position vanish universally for gravity theories that can be written in the PPN framework. This arises from some surprising, fundamental relations among the lensing observables in PPN gravity models. We derive these relations for the image positions, magnifications, and time delays. A deep consequence is that any violation of the universal relations would signal the need for a gravity model outside the PPN framework (provided that some basic assumptions hold). In practical terms, the relations will guide observational programs to test general relativity, modified gravity theories, and possibly the cosmic censorship conjecture. We use the new relations to identify lensing observables that are accessible to current or near-future technology, and to find combinations of observables that are most useful for probing the spacetime metric. We give explicit applications to the galactic black hole, microlensing, and the binary pulsar J0737-3039

  7. Structures, electronic properties and magnetisms of FeBN (N ≤ 15) clusters: density functional theory investigations

    International Nuclear Information System (INIS)

    Liu Huoyan; Lel Xueling; Chen Hang; Liu Zhifeng; Liu Liren; Zhu Hengjiang

    2011-01-01

    The equilibrium structures, electronic properties and magnetisms of FeB N (N ≤ 15) clusters have been investigated by generalized gradient approximation (GGA) of density functional theory at different spin multiplicities. The average atomic binding energies, second-order energy differences and gaps of ground-state structures are calculated and discussed. The results show that FeB 3 , FeB 8 , FeB 12 and FeB 14 possess relatively higher stabilities. Moreover, there is a distinct hybridization between the d orbital of Fe and the p orbital of B for the ground-state cluster. The total magnetic moment for groundstate cluster is mainly provided by 3 d orbital of Fe atom, and exhibits the odd-even oscillation tendency with the increasing of cluster size. (authors)

  8. A Grounded Theory Investigation Into Sophomore Students' Recall of Depression During Their Freshman Year in College: A Pilot Study.

    Science.gov (United States)

    Brandy, Julie M; Kessler, Theresa A; Grabarek, Christina H

    2018-04-17

    Using a grounded theory approach, the current descriptive qualitative design was conducted with sophomore students to understand the meaning participants gave their freshman experiences with depression. Twelve participants were recruited using scripted class announcements across campus. After informed consent, interviews began with the question: What was the experience of your freshman year in college? All interviews were completed with the primary investigator and transcribed verbatim. Interviews were analyzed using constant comparative methodology. Data collection continued until saturation was achieved. Four major categories emerged, including the category of symptoms and emotions. This category included the subcategories expressions of stress, changes in eating habits, sleep issues, and procrastination. Descriptive examples of each were found throughout the interview data. With greater understanding of living with depression as a college freshman, health care and college student affairs professionals will have additional evidence to guide their practices. [Journal of Psychosocial Nursing and Mental Health Services, xx(x),xx-xx.]. Copyright 2018, SLACK Incorporated.

  9. Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of)], E-mail: moradian.rostam@gmail.com

    2008-11-19

    By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

  10. Ab initio density functional theory investigation of electronic properties of semiconducting single-walled carbon nanotube bundles

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Azadi, Sam

    2008-09-01

    By using ab initio density functional theory we investigated the structural and electronic properties of semiconducting (7, 0), (8, 0) and (10, 0) carbon nanotube bundles. The energetic and electronic evolutions of nanotubes in the bundling process are also studied. The effects of inter-tube coupling on the electronic dispersions of semiconducting carbon nanotube bundles are demonstrated. Our results show that the inter-tube coupling decreases the energy gap in semiconducting nanotubes. We found that bundles of (7, 0) and (8, 0) carbon nanotubes have metallic feature, while (10, 0) bundle is a semiconductor with an energy gap of 0.22 eV. To clarify our results the band structures of isolated and bundled nanotubes are compared.

  11. Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes

    International Nuclear Information System (INIS)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2008-01-01

    By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

  12. Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2008-11-01

    By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

  13. Magneto-structural correlations in a family of Fe(II)Re(IV)(CN)2 single-chain magnets: density functional theory and ab initio calculations.

    Science.gov (United States)

    Zhang, Yi-Quan; Luo, Cheng-Lin; Wu, Xin-Bao; Wang, Bing-Wu; Gao, Song

    2014-04-07

    Until now, the expressions of the anisotropic energy barriers Δξ and ΔA, using the uniaxial magnetic anisotropy D, the intrachain coupling strength J, and the high-spin ground state S for single-chain magnets (SCMs) in the intermediate region between the Ising and the Heisenberg limits, were unknown. To explore this relationship, we used density functional theory and ab initio methods to obtain expressions of Δξ and ΔA in terms of D, J, and S of six R4Fe(II)-Re(IV)Cl4(CN)2 (R = diethylformamide (1), dibutylformamide (2), dimethylformamide (3), dimethylbutyramide (4), dimethylpropionamide (5), and diethylacetamide (6)) SCMs in the intermediate region. The ΔA value for compounds 1-3 was very similar to the magnetic anisotropic energy of a single Fe(II), while the value of Δξ was predicted using the exchange interaction of Fe(II) with the neighboring Re(IV), which could be expressed as 2JSReSFe. Similar to compounds 1-3, the anisotropy energy barrier ΔA of compounds 4 and 5 was also equal to (Di - Ei)SFe(2), but the correlation energy Δξ was closely equal to 2JSReSFe(cos 98.4 - cos 180) due to the reversal of the spins on the opposite Fe(II). For compound 6, one unit cell of Re(IV)Fe(II) was regarded as a domain wall since it had two different Re(IV)-Fe(II) couplings. Thus, the Δξ of compound 6 was expressed as 4J″SRe1Fe1SRe2Fe2, where J″ was the coupling constant of the neighboring unit cells of Re1Fe1 and Re2Fe2, and ΔA was equal to the anisotropic energy barrier of one domain wall given by DRe1Fe1(S(2)Re1Fe1 - 1/4).

  14. An investigation of the mechanism underlying teacher aggression: Testing I3 theory and the General Aggression Model.

    Science.gov (United States)

    Montuoro, Paul; Mainhard, Tim

    2017-12-01

    Considerable research has investigated the deleterious effects of teachers responding aggressively to students who misbehave, but the mechanism underlying this dysfunctional behaviour remains unknown. This study investigated whether the mechanism underlying teacher aggression follows I 3 theory or General Aggression Model (GAM) metatheory of human aggression. I 3 theory explains exceptional, catastrophic events of human aggression, whereas the GAM explains common human aggression behaviours. A total of 249 Australian teachers participated in this study, including 142 primary school teachers (Mdn [age] = 35-39 years; Mdn [years teaching] = 10-14 years; 84% female) and 107 secondary school teachers (Mdn [age] = 45-49 years; Mdn [years teaching] = 15-19 years; 65% female). Participants completed four online self-report questionnaires, which assessed caregiving responsiveness, trait self-control, misbehaviour provocation, and teacher aggression. Analyses revealed that the GAM most accurately captures the mechanism underlying teacher aggression, with lower caregiving responsiveness appearing to indirectly lead to teacher aggression via higher misbehaviour provocation and lower trait self-control in serial, controlling for gender, age, years teaching, and current role (primary, secondary). This study indicates that teacher aggression proceeds from 'the person in the situation'. Specifically, lower caregiving responsiveness appears to negatively shape a teacher's affective, cognitive, and arousal states, which influence how they perceive and interpret student misbehaviour. These internal states, in turn, appear to negatively influence appraisal and decision processes, leading to immediate appraisal and impulsive actions. These results raise the possibility that teacher aggression is a form of countertransference. © 2017 The British Psychological Society.

  15. Thermoanalytical investigation and biological properties of zinc(II) 4-chloro- and 5-chlorosalicylates with N-donor ligands

    Czech Academy of Sciences Publication Activity Database

    Bujdošová, Z.; Györyová, K.; Mudroňová, D.; Hudecová, D.; Kovářová, Jana

    2012-01-01

    Roč. 110, č. 1 (2012), s. 167-176 ISSN 1388-6150 Institutional support: RVO:61389013 Keywords : chlorosalicylate * zinc(II) * nicotinamide derivatives Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.982, year: 2012

  16. Subseabed disposal program annual report, January-December 1979. Volume II. Appendices (principal investigator progress reports). Part 1 of 2

    International Nuclear Information System (INIS)

    Talbert, D.M.

    1981-04-01

    Volume II of the sixth annual report describing the progress and evaluating the status of the Subseabed Disposal Program contains the appendices referred to in Volume I, Summary and Status. Because of the length of Volume II, it has been split into two parts for publication purposes. Part 1 contains Appendices A-O; Part 2 contains Appendices P-FF. Separate abstracts have been prepared of each Appendix for inclusion in the Energy Data Base

  17. Subseabed disposal program annual report, January-December 1980. Volume II. Appendices (principal investigator progress reports). Part 1

    Energy Technology Data Exchange (ETDEWEB)

    Hinga, K.R. (ed.)

    1981-07-01

    Volume II of the sixth annual report describing the progress and evaluating the status of the Subseabed Disposal Program contains the appendices referred to in Volume I, Summary and Status. Because of the length of Volume II, it has been split into two parts for publication purposes. Part 1 contains Appendices A-Q; Part 2 contains Appendices R-MM. Separate abstracts have been prepared for each appendix for inclusion in the Energy Data Base.

  18. Subseabed disposal program annual report, January-December 1980. Volume II. Appendices (principal investigator progress reports). Part 1

    International Nuclear Information System (INIS)

    Hinga, K.R.

    1981-07-01

    Volume II of the sixth annual report describing the progress and evaluating the status of the Subseabed Disposal Program contains the appendices referred to in Volume I, Summary and Status. Because of the length of Volume II, it has been split into two parts for publication purposes. Part 1 contains Appendices A-Q; Part 2 contains Appendices R-MM. Separate abstracts have been prepared for each appendix for inclusion in the Energy Data Base

  19. A full-field residual stress estimation scheme for fitness-for-service assessment of pipe girth welds: Part II – A shell theory based implementation

    International Nuclear Information System (INIS)

    Song, Shaopin; Dong, Pingsha; Pei, Xianjun

    2015-01-01

    With the two key controlling parameters identified and their effectiveness demonstrated in Part I of this study series for constructing a continuous residual stress profile at weld region, a classical shell theory based model is proposed in this paper (Part II) for describing through-thickness residual stress distributions of both axial and hoop components at any axial location beyond weld region. The shell theory based model is analytically constructed through an assembly of two parts: One represents weld region and the other represents the remaining component section away from weld. The final assembly of the two parts leads to a closed form solution to both axial and hoop residual stress components as a function of axial distance from weld toe position. The effectiveness of the full-field residual stress estimation scheme is demonstrated by comparing with a series of finite element modeling results over a broad range of pipe weld geometries and welding conditions. The present development should provide a consistent and effective means for estimating through-thickness residual stress profile as a continuous function of pipe geometry, welding heat input, as well as material characteristics. - Highlights: • A shell theory based two-part assembly model is developed for generalizing residual stress distributions. • A full-field estimation of through-thickness residual stress profiles can be achieved. • The proposed estimation scheme offers both consistency and mechanics basis in residual stress profile generation. • An estimation scheme for welding-induced plastic zone size is proposed and validated. • The shell theory based estimation scheme can also provide a reasonable estimate on distortion in radial direction

  20. TECHNICAL REPORT ON TECHNOLOGICALLY ENHANCED NATURALLY OCCURRING RADIOACTIVE MATERIALS FROM URANIUM MINING, VOLUME II: INVESTIGATION OF POTENTIAL HEALTH, GEOGRAPHIC, AND ENVIRONMENTAL ISSUES OF ABANDONED URANIUM MINES

    Science.gov (United States)

    Volume II investigates the potential radiogenic risks from abandoned uranium mines and evaluates which may pose the greatest hazards to members of the public and to the environment. The intent of this report is to identify who may be most likely to be exposed to wastes at small a...

  1. Calculation of interfacial tensions with gradient theory. I. Pure and Pseudo-Pure Fluids. II. Binary Systems

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan

    1997-01-01

    .26% at low pressure, and that of naphtha reformate cuts was 3.6%. In addition, the gradient theory was used to predict interfacial tensions for binary systems in the near-critical region. The results show excellent agreement between the predicted and experimental IFTs at high and moderate levels, while....... A consistent procedure for the estimation of properties associated to lumped systems. Fluid Phase Equilibria, 87: 89-197] was used to lump a mixture into one pseudocomponent, and its IFTs were calculated by means of the method of pure fluids. On the basis of the SRK EOS, the overall AAD of mixtures was 3...

  2. Theory of mind and emotional functioning in fibromyalgia syndrome: an investigation of the relationship between social cognition and executive function.

    Science.gov (United States)

    Di Tella, Marialaura; Castelli, Lorys; Colonna, Fabrizio; Fusaro, Enrico; Torta, Riccardo; Ardito, Rita B; Adenzato, Mauro

    2015-01-01

    Fibromyalgia (FM) is a syndrome primarily characterised by chronic, widespread musculoskeletal pain. In the aetiology of this syndrome a crucial role is played by complex interactions among biological, genetic, psychological, and socio-cultural factors. Recently, researchers have started to explore emotional functioning in FM, with their attention focused on alexithymia, a personality construct that affects the regulation of a person's own emotions. On the other hand, the detection and experience of emotional signals from other people have only been sparsely investigated in FM syndrome and no studies have investigated the ability to represent other people's mental states (i.e. Theory of Mind, ToM) in these patients. Here we present the first study investigating a large set of social-cognitive abilities, and the possible relationships between these abilities and the performance on executive-function tasks, in a homogenous sample of patients with FM. Forty women with FM and forty-one healthy women matched for education and age were involved in the study. Social cognition was assessed with a set of validated experimental tasks. Measures of executive function were used to test the correlations between this dimension and the social-cognitive profile of patients with FM. Relationships between social-cognitive abilities and demographic, clinical and psychological variables were also investigated. Patients with FM have impairments both in the regulation of their own affect and in the recognition of other's emotions, as well as in representing other people's mental states. No significant correlations were found between social cognition tasks and the subcomponents of the executive function that were analysed. The results show the presence of several impairments in social cognition skills in patients with FM, which are largely independent of both executive function deficits and symptoms of psychological distress. The impairments reported highlight the importance of adequately

  3. Bond-equilibrium theory of liquid Se-Te alloys. II. Effect of singly attached ring molecules

    Science.gov (United States)

    Cutler, Melvin; Bez, Wolfgang G.

    1981-06-01

    A statistical-mechanical theory for bond equilibrium of chain polymers containing threefold (3F) and onefold (1F) bond defects is extended to include the effects of free ring molecules and ring molecules attached to chains by a single 3F atom. Positively charged singly attached rings are shown to play a key role in bond equilibrium in liquid Sex Te1-x by permitting the formation of ion pairs in which both constituents are effectively chain terminators, thus decreasing the average polymer size. The theory is applied to explain the behavior of the paramagnetic susceptibility, χp, and electronic transport as affected by the Fermi energy EF. It is found that the increase in χp with the concentration of Te is primarily the result of the smaller energy for breaking Te bonds. In addition, attached rings play an important role in determining the effect of temperature on χp. At x<~0.5, the concentrations of both free and attached rings becomes small at high T because of the high concentration of bond defects.

  4. Classification of three-family grand unification in string theory. II. The SU(5) and SU(6) models

    International Nuclear Information System (INIS)

    Kakushadze, Z.; Tye, S.H.

    1997-01-01

    Requiring that supersymmetric SU(5) and SU(6) grand unifications in the heterotic string theory must have three chiral families, adjoint (or higher representation) Higgs fields in the grand unified gauge group, and a non-Abelian hidden sector, we construct such string models within the framework of free conformal field theory and asymmetric orbifolds. Within this framework, we construct all such string models via Z 6 asymmetric orbifolds that include a Z 3 outerautomorphism, the latter yielding a level-three current algebra for the grand unification gauge group SU(5) or SU(6). We then classify all such Z 6 asymmetric orbifolds that result in models with a non-Abelian hidden sector. All models classified in this paper have only one adjoint (but no other higher representation) Higgs field in the grand unified gauge group. This Higgs field is neutral under all other gauge symmetries. The list of hidden sectors for three-family SU(6) string models are SU(2), SU(3), and SU(2)circle-times SU(2). In addition to these, three-family SU(5) string models can also have an SU(4) hidden sector. Some of the models have an apparent anomalous U(1) gauge symmetry. copyright 1997 The American Physical Society

  5. Analysis of Dynamic Fracture Compliance Based on Poroelastic Theory - Part II: Results of Numerical and Experimental Tests

    Science.gov (United States)

    Wang, Ding; Ding, Pin-bo; Ba, Jing

    2018-03-01

    In Part I, a dynamic fracture compliance model (DFCM) was derived based on the poroelastic theory. The normal compliance of fractures is frequency-dependent and closely associated with the connectivity of porous media. In this paper, we first compare the DFCM with previous fractured media theories in the literature in a full frequency range. Furthermore, experimental tests are performed on synthetic rock specimens, and the DFCM is compared with the experimental data in the ultrasonic frequency band. Synthetic rock specimens saturated with water have more realistic mineral compositions and pore structures relative to previous works in comparison with natural reservoir rocks. The fracture/pore geometrical and physical parameters can be controlled to replicate approximately those of natural rocks. P- and S-wave anisotropy characteristics with different fracture and pore properties are calculated and numerical results are compared with experimental data. Although the measurement frequency is relatively high, the results of DFCM are appropriate for explaining the experimental data. The characteristic frequency of fluid pressure equilibration calculated based on the specimen parameters is not substantially less than the measurement frequency. In the dynamic fracture model, the wave-induced fluid flow behavior is an important factor for the fracture-wave interaction process, which differs from the models at the high-frequency limits, for instance, Hudson's un-relaxed model.

  6. Thermodynamics of SU(N) Yang-Mills theories in 2+1 dimensions II. The Deconfined phase

    CERN Document Server

    Caselle, Michele; Feo, Alessandra; Gliozzi, Ferdinando; Gursoy, Umut; Panero, Marco; Schafer, Andreas

    2012-01-01

    We present a non-perturbative study of the equation of state in the deconfined phase of Yang-Mills theories in D=2+1 dimensions. We introduce a holographic model, based on the improved holographic QCD model, from which we derive a non-trivial relation between the order of the deconfinement phase transition and the behavior of the trace of the energy-momentum tensor as a function of the temperature T. We compare the theoretical predictions of this holographic model with a new set of high-precision numerical results from lattice simulations of SU(N) theories with N=2, 3, 4, 5 and 6 colors. The latter reveal that, similarly to the D=3+1 case, the bulk equilibrium thermodynamic quantities (pressure, trace of the energy-momentum tensor, energy density and entropy density) exhibit nearly perfect proportionality to the number of gluons, and can be successfully compared with the holographic predictions in a broad range of temperatures. Finally, we also show that, again similarly to the D=3+1 case, the trace of the en...

  7. Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.

    Science.gov (United States)

    Seidu, Issaka; Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

    2012-03-08

    The performance of the second-order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) for the calculation of the exchange coupling constant (J) is assessed by application to a series of triply bridged Cu(II) dinuclear complexes. A comparison of the J values based on SF-CV(2)-DFT with those obtained by the broken symmetry (BS) DFT method and experiment is provided. It is demonstrated that our methodology constitutes a viable alternative to the BS-DFT method. The strong dependence of the calculated exchange coupling constants on the applied functionals is demonstrated. Both SF-CV(2)-DFT and BS-DFT affords the best agreement with experiment for hybrid functionals.

  8. Design and verification of controllers for longitudinal oscillations using optimal control theory and numerical simulation: Predictions for PEP-II

    International Nuclear Information System (INIS)

    Hindi, H.; Prabhakar, S.; Fox, J.; Teytelman, D.

    1997-12-01

    The authors present a technique for the design and verification of efficient bunch-by-bunch controllers for damping longitudinal multibunch instabilities. The controllers attempt to optimize the use of available feedback amplifier power--one of the most expensive components of a feedback system--and define the limits of closed loop system performance. The design technique alternates between analytic computation of single bunch optimal controllers and verification on a multibunch numerical simulator. The simulator identifies unstable coupled bunch modes and predicts their growth and damping rates. The results from the simulator are shown to be in reasonable agreement with analytical calculations based on the single bunch model. The technique is then used to evaluate the performance of a variety of controllers proposed for PEP-II

  9. Investigating the role of unified theory of acceptance and use of technology (UTAUT in internet banking adoption context

    Directory of Open Access Journals (Sweden)

    Samar Rahi

    2018-03-01

    Full Text Available Several studies have made known that internet banking (IB implementation is not only advanta-geous for banks, but also by perception and experience of IB users. Therefore, little is known about factors propelling user’s intention to adopt internet banking in Pakistan. Thus, the purpose of this research is to investigate the role of unified theory of acceptance and use of technology (UTAUT in internet banking adoption context. A quantitative approach based survey was conducted to col-lect the data from 398 internet banking users. For statistical analysis structural equation model (SEM approach was used. The result of this study indicates that, UTAUT model provided a good theoretical foundation in technology adoption investigation. Findings confirmed that all four predic-tors (performance expectancy, effort expectancy, social influence and facilitating condition were significant and had significant amount of variance in predicting user’s intention to adopt internet banking. Additionally, the IPMA test revealed that performance expectancy was the most important factor among all other variables to predict user’s intention towards adoption of internet banking. Lastly, managerial implications, limitations and future recommendations are discussed.

  10. Investigation of timing effects in modified composite quadrupolar echo pulse sequences by mean of average Hamiltonian theory

    Science.gov (United States)

    Mananga, Eugene Stephane

    2018-01-01

    The utility of the average Hamiltonian theory and its antecedent the Magnus expansion is presented. We assessed the concept of convergence of the Magnus expansion in quadrupolar spectroscopy of spin-1 via the square of the magnitude of the average Hamiltonian. We investigated this approach for two specific modified composite pulse sequences: COM-Im and COM-IVm. It is demonstrated that the size of the square of the magnitude of zero order average Hamiltonian obtained on the appropriated basis is a viable approach to study the convergence of the Magnus expansion. The approach turns to be efficient in studying pulse sequences in general and can be very useful to investigate coherent averaging in the development of high resolution NMR technique in solids. This approach allows comparing theoretically the two modified composite pulse sequences COM-Im and COM-IVm. We also compare theoretically the current modified composite sequences (COM-Im and COM-IVm) to the recently published modified composite pulse sequences (MCOM-I, MCOM-IV, MCOM-I_d, MCOM-IV_d).

  11. Theory of extended stellar atmospheres. II. A grid of static spherical models for O stars and planetary nebula nuclei

    International Nuclear Information System (INIS)

    Kunasz, P.B.; Hummer, D.G.; Mihalas, D.

    1975-01-01

    Spherical static non-LTE model atmospheres are presented for stars with M/M/sub sun/=30 and 60 at various points on their evolutionary tracks, and for some nuclei of planetary nebulae at two points of a modified Harman-Seaton sequence. The method of Mihalas and Hummer was employed, which uses a parametrized radiation force multiplier to simulate the force of radiation arising from the entire line spectrum. However, in the present work the density structure computed in the LTE models was held fixed in the calculation of the corresponding non-LTE models; in addition, the opacity of an ''average light ion'' was taken into account. The temperatures for the non-LTE models are generally lower, at a given depth, than for the corresponding LTE models when T/sub eff/<45,000 K, while the situation is reversed at higher temperatures. The continuous energy distributions are generally flattened by extension. The Lyman jump is in emission for extended models of massive stars, but never for the models of nuclei of planetary nebulae (this is primarily a temperature effect). The Balmer jumps are always in absorption. The Lyman lines are in emission, and the Balmer lines in absorption; He ii lambda4686 comes into emission in the most extended models without hydrogen line pumping, showing that it is an indicator of atmospheric extension. Very severe limb darkening is found for extended models, which have apparent angular sized significantly smaller than expected from the geometrical size of the star. Extensive tables are given of monochromatic magnitudes, continuum jumps and gradients, Stomgren-system colors, monochromatic extensions, and the profiles and equivalent widths of the hydrogen lines for all models, and of the He ii lines for some of the 60 M/sub X/ models

  12. A superstring field theory for supergravity

    Science.gov (United States)

    Reid-Edwards, R. A.; Riccombeni, D. A.

    2017-09-01

    A covariant closed superstring field theory, equivalent to classical tendimensional Type II supergravity, is presented. The defining conformal field theory is the ambitwistor string worldsheet theory of Mason and Skinner. This theory is known to reproduce the scattering amplitudes of Cachazo, He and Yuan in which the scattering equations play an important role and the string field theory naturally incorporates these results. We investigate the operator formalism description of the ambitwsitor string and propose an action for the string field theory of the bosonic and supersymmetric theories. The correct linearised gauge symmetries and spacetime actions are explicitly reproduced and evidence is given that the action is correct to all orders. The focus is on the NeveuSchwarz sector and the explicit description of tree level perturbation theory about flat spacetime. Application of the string field theory to general supergravity backgrounds and the inclusion of the Ramond sector are briefly discussed.

  13. Investigations of the role of nonlinear couplings in structure formation and transport regulation: Experiment, simulation, and theory

    International Nuclear Information System (INIS)

    Holland, C.; Kim, E.J.; Champeaux, S.; Gurcan, O.; Rosenbluth, M.N.; Diamond, P.H.; Tynan, G.R.; Nevins, W.; Candy, J.

    2003-01-01

    Understanding the physics of shear flow and structure formation in plasmas is a central problem for the advancement of magnetic fusion because of the roles such flows are believed to play in regulating turbulence and transport levels. In this paper, we report on integrated experimental, computational, and theoretical studies of sheared zonal flows and radially extended convective cells, with the aim of assessing the results of theory experiment and theory-simulation comparisons. In particular, simulations are used as test beds for verifying analytical predictions and demonstrating the suitability of techniques such as bispectral analysis for isolating nonlinear couplings in data. Based on intriguing initial results suggesting increased levels of nonlinear coupling occur during L-H transitions, we have undertaken a comprehensive study of bispectral quantities in fluid and gyrokinetic simulations, and compared these results with theoretical expectations. Topics of study include locality and directionality of energy transfer, amplitude scaling, and parameter dependences. Techniques for inferring nonlinear coupling coefficients from data are discussed, and initial results from experimental data are presented. Future experimental studies are motivated. We also present work investigating the role of structures in transport. Analysis of simulation data indicates that the turbulent heat flux can be represented as an ensemble of 'heat pulses' of varying sizes, with a power law distribution. The slope of the power law is shown to determine global transport scaling (i.e. Bohm or gyro-Bohm). Theoretical work studying the dynamics of the largest cells (termed 'streamers') is presented, as well as results from ongoing analysis studying connections between heat pulse distribution and bispectral quantities. (author)

  14. GENOVA: a generalized perturbation theory program for various applications to CANDU core physics analysis (II) - a user's manual

    International Nuclear Information System (INIS)

    Kim, Do Heon; Choi, Hang Bok

    2001-03-01

    A user's guide for GENOVA, a GENeralized perturbation theory (GPT)-based Optimization and uncertainty analysis program for Canada deuterium uranium (CANDU) physics VAriables, was prepared. The program was developed under the framework of CANDU physics design and analysis code RFSP. The generalized perturbation method was implemented in GENOVA to estimate the zone controller unit (ZCU) level upon refueling operation and calculate various sensitivity coefficients for fuel management study and uncertainty analyses, respectively. This documentation contains descriptions and directions of four major modules of GENOVA such as ADJOINT, GADJINT, PERTURB, and PERTXS so that it can be used as a practical guide for GENOVA users. This documentation includes sample inputs for the ZCU level estimation and sensitivity coefficient calculation, which are the main application of GENOVA. The GENOVA can be used as a supplementary tool of the current CANDU physics design code for advanced CANDU core analysis and fuel development

  15. Exact theory of dense amorphous hard spheres in high dimension. II. The high density regime and the Gardner transition.

    Science.gov (United States)

    Kurchan, Jorge; Parisi, Giorgio; Urbani, Pierfrancesco; Zamponi, Francesco

    2013-10-24

    We consider the theory of the glass phase and jamming of hard spheres in the large space dimension limit. Building upon the exact expression for the free-energy functional obtained previously, we find that the random first order transition (RFOT) scenario is realized here with two thermodynamic transitions: the usual Kauzmann point associated with entropy crisis and a further transition at higher pressures in which a glassy structure of microstates is developed within each amorphous state. This kind of glass-glass transition into a phase dominating the higher densities was described years ago by Elisabeth Gardner, and may well be a generic feature of RFOT. Microstates that are small excitations of an amorphous matrix-separated by low entropic or energetic barriers-thus emerge naturally, and modify the high pressure (or low temperature) limit of the thermodynamic functions.

  16. FAST-PT II: an algorithm to calculate convolution integrals of general tensor quantities in cosmological perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xiao; Blazek, Jonathan A.; McEwen, Joseph E.; Hirata, Christopher M., E-mail: fang.307@osu.edu, E-mail: blazek@berkeley.edu, E-mail: mcewen.24@osu.edu, E-mail: hirata.10@osu.edu [Center for Cosmology and AstroParticle Physics, Department of Physics, The Ohio State University, 191 W Woodruff Ave, Columbus OH 43210 (United States)

    2017-02-01

    Cosmological perturbation theory is a powerful tool to predict the statistics of large-scale structure in the weakly non-linear regime, but even at 1-loop order it results in computationally expensive mode-coupling integrals. Here we present a fast algorithm for computing 1-loop power spectra of quantities that depend on the observer's orientation, thereby generalizing the FAST-PT framework (McEwen et al., 2016) that was originally developed for scalars such as the matter density. This algorithm works for an arbitrary input power spectrum and substantially reduces the time required for numerical evaluation. We apply the algorithm to four examples: intrinsic alignments of galaxies in the tidal torque model; the Ostriker-Vishniac effect; the secondary CMB polarization due to baryon flows; and the 1-loop matter power spectrum in redshift space. Code implementing this algorithm and these applications is publicly available at https://github.com/JoeMcEwen/FAST-PT.

  17. Non-affine deformation in microstructure selection in solids II: Elastoplastic theory for the dynamics of solid state transformations

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Arya; Bhattacharya, Jayee; Sengupta, Surajit [S N Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Calcutta 700 098 (India); Rao, Madan [Raman Research Institute, C V Raman Avenue, Bangalore 560 080 (India)

    2008-09-10

    We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection. Using a molecular dynamics (MD) simulation, we had shown that the dynamics of the solid is accompanied by the creation of transient non-affine zones (NAZ), which evolve with the rapidly moving transformation front. Guided by our MD results, we formulate a dynamical continuum theory of solid state transformation, which couples the elastic strain to the non-affine deformation. We demonstrate that our elastoplastic description recovers all qualitative features of the MD simulation. We construct a dynamical phase diagram for microstructure selection, including regimes where martensite or ferrite obtains, in addition to making several testable predictions.

  18. Investigation of sorption of Hg(II) ions onto coconut husk from aqueous solution using radiotracer technique

    Energy Technology Data Exchange (ETDEWEB)

    Hasany, S.M.; Ahmad, R.; Chaudhary, M.H. [Nuclear Chemistry Div., Pakistan Inst. of Nuclear Science and Technology, Islamabad (Pakistan)

    2003-07-01

    The sorption of Hg(II) ions onto coconut (Cocos nucifera) husk has been studied using radiotracer technique. Maximum sorption (96%) of Hg(II) ions (7.39 x 10{sup -6} M) onto sorbent surface is achieved from 10{sup -3} M HNO{sub 3} solution in 30 min agitation time using 100 mg of coconut husk. The sorption data follow the Freundlich and Dubinin-Radushkevich (D-R) isotherms. Sorption capacity (6.84{+-}0.45 mmol g{sup -1}) and sorption energy (10.6{+-}0.13 kJ mol{sup -1}) have been evaluated using these isotherms. Among the ions tested to monitor their influence on the sorption, Ba(II), fluoride and tartarate increased the sorption, while thiosulfate, bromide and thiocyanate reduced (< 63 > 26%) the sorption. The cations K(I), Ce(III), Cr(III), Fe(III) and Zr(IV) partially suppressed the sorption. The variation of sorption with temperature yields thermodynamic parameters {delta}H = -37.4{+-}2 kJ mol{sup -1} {delta}S = -105{+-}7 J mol{sup -1} K{sup -1} and {delta}G = -2.58{+-}0.05 kJ mol{sup -1} at 298 K. The negative values of enthalpy and free energy reflect the spontaneous and exothermic nature of sorption, respectively. The selectivity studies of sorbent show that the coconut husk column can be used to separate Hg(II) ions from Se(IV), Zn(II), I(I) and Tc (VII). The sorbent has a potential in radiochemistry to separate gamma energies of {sup 203}Hg (279 keV) from {sup 75}Se (265 and 280 keV). (orig.)

  19. Investigation of sorption of Hg(II) ions onto coconut husk from aqueous solution using radiotracer technique

    International Nuclear Information System (INIS)

    Hasany, S.M.; Ahmad, R.; Chaudhary, M.H.

    2003-01-01

    The sorption of Hg(II) ions onto coconut (Cocos nucifera) husk has been studied using radiotracer technique. Maximum sorption (96%) of Hg(II) ions (7.39 x 10 -6 M) onto sorbent surface is achieved from 10 -3 M HNO 3 solution in 30 min agitation time using 100 mg of coconut husk. The sorption data follow the Freundlich and Dubinin-Radushkevich (D-R) isotherms. Sorption capacity (6.84±0.45 mmol g -1 ) and sorption energy (10.6±0.13 kJ mol -1 ) have been evaluated using these isotherms. Among the ions tested to monitor their influence on the sorption, Ba(II), fluoride and tartarate increased the sorption, while thiosulfate, bromide and thiocyanate reduced ( 26%) the sorption. The cations K(I), Ce(III), Cr(III), Fe(III) and Zr(IV) partially suppressed the sorption. The variation of sorption with temperature yields thermodynamic parameters ΔH = -37.4±2 kJ mol -1 ΔS = -105±7 J mol -1 K -1 and ΔG = -2.58±0.05 kJ mol -1 at 298 K. The negative values of enthalpy and free energy reflect the spontaneous and exothermic nature of sorption, respectively. The selectivity studies of sorbent show that the coconut husk column can be used to separate Hg(II) ions from Se(IV), Zn(II), I(I) and Tc (VII). The sorbent has a potential in radiochemistry to separate gamma energies of 203 Hg (279 keV) from 75 Se (265 and 280 keV). (orig.)

  20. Investigation in vitro Effects of Rivastigmine and Galantamine Used to Treatment of Alzheimer's Disease on CA Isozymes I and II

    OpenAIRE

    DİLEK, Esra; ÇANKAYA, Murat; EZMECİ, Talat; SUNAR, Mukadder; ÇOBAN, T. Abdulkadir

    2017-01-01

    The carbonicanhydrases (CA, EC. 4.2.1.1) are an expanding family of zinc-containing enzymescatalyzing the reversible hydration of CO2 in a two-step reaction toyield HCO3-and H+. These enzymes playimportant roles in several physiological/pathological processes. The aim ofthis study is to evaluate in vitrothe effects of these drug active substances which use which use for treatmentof Alzheimer disease on CA I and II isoenzyme. CA I and II isoenzymes fromhuman blood have been purified using Seph...

  1. Density functional representation of quantum chemistry. II. Local quantum field theories of molecular matter in terms of the charge density operator do not work

    International Nuclear Information System (INIS)

    Primas, H.; Schleicher, M.

    1975-01-01

    A comprehensive review of the attempts to rephrase molecular quantum mechanics in terms of the particle density operator and the current density or phase density operator is given. All pertinent investigations which have come to attention suffer from severe mathematical inconsistencies and are not adequate to the few-body problem of quantum chemistry. The origin of the failure of these attempts is investigated, and it is shown that a realization of a local quantum field theory of molecular matter in terms of observables would presuppose the solution of many highly nontrivial mathematical problems

  2. Spectroscopic and electrochemical investigation with coordination stabilities: Mononuclear manganese(II) complexes derived from different constituents macrocyclic ligands

    Science.gov (United States)

    Kumar, Rajiv; Chnadra, S.; Mishra, Parashuram

    2007-12-01

    Since the manganese(II) complexes are known as having a high degree of stability, some of them may be able to play a very important role in biosystems. We prepared manganese(II) complexes with different chromospheres containing macrocyclic ligands bearing N, S and O like functional donor atoms in order to obtain different models of compounds. So these new manganese(II) complexes were derived from macrocyclic ligands by chelating them with metal ions. Thus, two macrocyclic ligands, L 1: 2,4-diphenyl-1,5-diaza-8,12-dioxo-6,7:13,14-dibenzocyclo tetradeca-1,4-diene[N 2O 2]ane; L 2: 2,4,9,11-tetraphenyl-6,13-dimethyl-1,5,8,12-traazacyclotertr-adeca-1,4,8,11-tetraene[N 4]ane; and two more different form first one viz.—L 3: 1,7-diaza-4-monothia-10,14-dioxo-8,9:15,16-cyclohexadecane[N 2O 2S]ane and L 4: 4,13-diaoxa-1,7,10,16-hexazacyclooctadecane[N 4O 2]ane were prepared and their capacity to retain the manganese(II) ion in solid as well as aqueous solution was determined from various physiochemical techniques viz: characterized by elemental analyses, molar conductance measurements, magnetic susceptibility measurements, mass, IR, electronic, ESR spectral studies and cyclic voltammetric measurements.

  3. Spectrophotometric investigation on the kinetics of oxidation of adrenaline by dioxygen of μ-dioxytetrakis(histidinato)-dicobalt(II) complex

    Science.gov (United States)

    Rafiquee, M. Z. A.; Siddiqui, Masoom R.; Ali, Mohd. Sajid; Al-Lohedan, Hamad A.

    The cobalt(II)histidine complex binds molecular oxygen reversibly to form an oxygen adduct complex, μ-dioxytetrakis-(histidinato)dicobalt(II). The molecular oxygen can be released from the oxygenated complex by heating it or by passing N2, He or Ar gas through its solution. μ-Dioxytetrakis-(histidinato)dicobalt(II) complex oxidizes adrenaline into leucoadrenochrome at 25 °C while at higher temperature (>40 °C) adrenochrome with λmax at 490 nm is formed. The rate of formation of leucoadrenochrome was found to be independent of [bis(histidinato)cobalt(II)]. The rate of reaction for the formation of leucoadrenochrome and adrenochrome increased with the increase in [adrenaline] at its lower concentration but become independent at higher concentration. Similarly, the rate of formation of both leucoadrenochrome and adrenochrome was linearly dependent upon [NaOH]. The values of activation parameters i.e. ΔEa, ΔH‡ and ΔS‡ for the formation of leucoadrenochrome are reported.

  4. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    International Nuclear Information System (INIS)

    Wu, Wei; Wang, Jin

    2014-01-01

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series

  5. An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

    Science.gov (United States)

    Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

    2017-10-30

    In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  6. [New theory of holistic integrative physiology and medicine. II: New insight of the control and regulation of circulation].

    Science.gov (United States)

    Sun, Xing-guo

    2015-07-01

    The interpretation of control and regulation of circulatory parameters in traditional physiology has some limitations. Human being is an organic, circulatory control and regulation should involve all the systems. Based upon the theory of holistic integrative physiology and medicine, we approach to explain the circulatory control and regulation from its purpose. The main purpose of circulation is to maintain a stable metabolism of cells, i.e. transport oxygen (from lung) and nutrients (from gastrointestinal tract) to cells, and return carbon dioxide and metabolic products back for elimination. Based on this goal, all respiration and gastrointestinal digestion, absorption, urinary excretion, etc. are integrative together for regulation to maintain the supply-demand balance at any metabolic status of resting, exercise and sleep. So that, we can explain many existing problems and questions, for example: why and how the foramen ovale closed after birth; mechanism of Cheyne-Stokes respiration; blood flow redistribution during exercise; variabilities of systolic blood pressure, heart rate and autonomic tone. The circulatory control and regulation is the integration of all systems of the body.

  7. Investigation of the interactions between 1-butyl-3-methylimidazolium-based ionic liquids and isobutylene using density functional theory.

    Science.gov (United States)

    Li, Xiaoning; Guo, Wenli; Wu, Yibo; Li, Wei; Gong, Liangfa; Zhang, Xiaoqian; Li, Shuxin; Shang, Yuwei; Yang, Dan; Wang, Hao

    2018-03-06

    To identify ionic liquids (ILs) that could be used as solvents in isobutylene (IB) polymerization, the interactions between IB and eight different ILs based on the 1-butyl-3-methylimidazolium cation ([Bmim] + ) were investigated using density functional theory (DFT). The anions in the ILs were chloride, hexafluorophosphate, tetrafluoroborate, bis[(trifluoromethyl)sulfonyl]imide, tetrachloroaluminate ([AlCl 4 ] - ), tetrachloroferrate, acetate, and trifluoroacetate. The interaction geometries were explained by changes in the total energy, intermolecular distances, Hirshfeld charges, and the electrostatic potential surface. The IL solvents were screened by comparing their interaction intensities with IB to the interaction intensities of reference ILs ([AlCl 4 ] - -based ILs) with IB. The microscopic mechanism for IB dissolution was rationalized by invoking a previously reported microscopic mechanism for the dissolution of gases in ILs. Computation results revealed that hydrogen (H) bonding between C2-H on the imidazolium ring and the anions plays a key role in ion pair (IP) formation. The addition of IB leads to slight changes in the dominant interactions of the IP. IB molecules occupied cavities created by small angular rearrangements of the anions, just as CO 2 does when it is dissolved in an IL. The limited total free space in the ILs and the much larger size of IB than CO 2 were found to be responsible for the poor solubility of IB compared with that of CO 2 in the ILs.

  8. Colour change in biferroic YCrO_3 under high pressure: a combined experimental and density functional theory investigation

    International Nuclear Information System (INIS)

    Chakraborty, Brahmananda; Mall, Ashish Kumar; Gupta, Rajeev; Chitnis, Abhishek; Garg, Nandini; Ramaniah, Lavanya M.; Sharma, Surinder M.

    2016-01-01

    Biferroic materials find potential applications in various technological fields due to their simultaneous ferroelectric and ferromagnetic ordering. Yttrium chromite (YCrO_3) is found to be a biferroic having orthorhombic structure with Pnma space group. Combining both experiment and density functional theory (DFT), we have investigated the high pressure behaviour of YCrO_3 up to 100 GPa. We have observed a colour change in YCrO_3 from yellow-green to red at pressures larger than 40 GPa, which can be correlated with reduction in band gap under pressure. Present experimental data seems to suggest no structural transition upto 100 GPa. All the calculations are carried out using the DFT based projector augmented wave (PAW) method as implemented in the VASP code. As DFT has a limitation in predicting the correct band gap, we have employed the GGA+U method to compute the band gap. The computed band gap of 2.33 eV in ambient condition is close to the experimental value of 2.4 eV. The X-ray diffraction experiments were carried out in an indigenously designed diamond anvil cell

  9. Application of the Extended Theory of Planned Behavior Model to Investigate Purchase Intention of Green Products among Thai Consumers

    Directory of Open Access Journals (Sweden)

    Kamonthip Maichum

    2016-10-01

    Full Text Available Green products are among the widely used products worldwide due to their environmental benefits. However, information on the consumers’ purchase intention towards green products in developing countries, such as Thailand, is lacking. This study aims to investigate Thai consumers who are aged over 18 years, and whose base education is high school, on purchase intention for green products by using an extended framework of the theory of planned behavior (TPB. We derived and examined the model through structural equation modeling in a sample of 483 respondents in Thailand. The findings of this model indicated that consumer attitude, subjective norm and perceived behavioral control have significant positive influences on the purchase intention for green products. Furthermore, our results indicated that environmental concerns have a significant effect on attitude, perceived behavioral control and purchase intention for green products, but subjective norm. Moreover, environmental knowledge had no significant effect on the purchase intention for green products. Instead, it had a distinct indirect effect through attitude towards purchasing green products, subjective norm and perceived behavioral control. The findings from this study contribute to improving the understanding of intention to purchase green products, which could play a major role towards sustainable consumption.

  10. Halogen bonding from a hard and soft acids and bases perspective: investigation by using density functional theory reactivity indices.

    Science.gov (United States)

    Pinter, Balazs; Nagels, Nick; Herrebout, Wouter A; De Proft, Frank

    2013-01-07

    Halogen bonds between the trifluoromethyl halides CF(3)Cl, CF(3)Br and CF(3)I, and dimethyl ether, dimethyl sulfide, trimethylamine and trimethyl phosphine were investigated using Pearson's hard and soft acids and bases (HSAB) concept with conceptual DFT reactivity indices, the Ziegler-Rauk-type energy-decomposition analysis, the natural orbital for chemical valence (NOCV) framework and the non-covalent interaction (NCI) index. It is found that the relative importance of electrostatic and orbital (charge transfer) interactions varies as a function of both the donor and acceptor molecules. Hard and soft interactions were distinguished and characterised by atomic charges, electrophilicity and local softness indices. Dual-descriptor plots indicate an orbital σ hole on the halogen similar to the electrostatic σ hole manifested in the molecular electrostatic potential. The predicted high halogen-bond-acceptor affinity of N-heterocyclic carbenes was evidenced in the highest complexation energy for the hitherto unknown CF(3) I·NHC complex. The dominant NOCV orbital represents an electron-density deformation according to a n→σ*-type interaction. The characteristic signal found in the reduced density gradient versus electron-density diagram corresponds to the non-covalent interaction between contact atoms in the NCI plots, which is the manifestation of halogen bonding within the NCI theory. The unexpected C-X bond strengthening observed in several cases was rationalised within the molecular orbital framework. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Co-sequestration of Zn(II) and phosphate by γ-Al{sub 2}O{sub 3}: From macroscopic to microscopic investigation

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Xuemei [School of Environment and Chemical Engineering, North China Electric Power University, Beijing 102206 (China); Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, 230031, Hefei (China); Tan, Xiaoli [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, 230031, Hefei (China); Hayat, Tasawar [Department of Mathematics, Quaid-I-Azam University, Islamabad 44000 (Pakistan); NAAM Research Group, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Alsaedi, Ahmed [NAAM Research Group, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Wang, Xiangke, E-mail: xkwang@ipp.ac.cn [School of Environment and Chemical Engineering, North China Electric Power University, Beijing 102206 (China); NAAM Research Group, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions (China)

    2015-10-30

    Highlights: • How the Zn and phosphate behave in each other’s presence is elucidated. • Surface speciation of Zn(II) is affected by the presence of phosphate. • Combining macroscopic study with EXAFS can determine the Zn(II) surface speciation. • The enhanced Zn(II) sorption is mainly due to ternary surface complexation at 0.19 mmol P/L and pH 6.5. • Phosphate ions prevent the formation of an Zn–Al LDH phase at pH 8.0. - Abstract: Little information is available concerning co-sorbing oxyanion and metal contaminants in the environment, yet in most metal-contaminated areas, co-contamination by phosphate is common. In this study, the mutual effects of phosphate and Zn(II) on their interaction with γ-Al{sub 2}O{sub 3} are investigated by batch experiments and X-ray absorption fine structure spectroscopy (XAFS) technique. The results show that the co-sorption of phosphate on γ-Al{sub 2}O{sub 3} modifies both the extent of Zn(II) sorption and the local atomic structures of sorbed Zn(II) ions. Multiple mechanisms are involved in Zn(II) retention in the presence of phosphate, including electrostatic interaction, binary and ternary surface complexation, and the formation of Zn(II)-phosphate polynuclear complexes. At pH 6.5, type III ternary surface complexation occurs concurrently with binary Zn-alumina surface complexation at low phosphate concentrations, whereas the formation of type III ternary surface complexes is promoted as the phosphate concentration increases. With further increasing phosphate concentration, Zn(II)-phosphate polynuclear complexes are formed. At pH 8.0, Zn dominantly forms type III ternary surface complexes in the presence of phosphate. The results of this study indicate the variability of Zn complexation on oxide surface and the importance of combining macroscopic observations with XAFS capable of determining metal complex formation mechanism for ternary system.

  12. A Thermodynamic History of the Solar Constitution — II: The Theory of a Gaseous Sun and Jeans' Failed Liquid Alternative

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2011-07-01

    Full Text Available In this work, the development of solar theory is followed from the concept that the Sun was an ethereal nuclear body with a partially condensed photosphere to the creation of a fully gaseous object. An overview will be presented of the liquid Sun. A powerful lineage has brought us the gaseous Sun and two of its main authors were the direct sci- entific descendants of Gustav Robert Kirchhoff: Franz Arthur Friedrich Schuster and Arthur Stanley Eddington. It will be discovered that the seminal ideas of Father Secchi and Herv ́ e Faye were not abandoned by astronomy until the beginning of 20th century. The central role of carbon in early solar physics will also be highlighted by revisit- ing George Johnstone Stoney. The evolution of the gaseous models will be outlined, along with the contributions of Johann Karl Friedrich Z ̈ ollner, James Clerk Maxwell, Jonathan Homer Lane, August Ritter, William Thomson, William Huggins, William Edward Wilson, George Francis FitzGerald, Jacob Robert Emden, Frank Washington Very, Karl Schwarzschild, and Edward Arthur Milne. Finally, with the aid of Edward Arthur Milne, the work of James Hopwood Jeans, the last modern advocate of a liquid Sun, will be rediscovered. Jeans was a staunch advocate of the condensed phase, but deprived of a proper building block, he would eventually abandon his non-gaseous stars. For his part, Subrahmanyan Chandrasekhar would spend nine years of his life studying homogeneous liquid masses. These were precisely the kind of objects which Jeans had considered for his liquid stars.

  13. Use of Theory-Driven Research in Counseling: Investigating Three Counseling Psychology Journals from 1990 to 1999

    Science.gov (United States)

    Karr, Carolyn A.; Larson, Lisa M.

    2005-01-01

    Three major journals in counseling psychology were sampled from 1990 to 1999 to assess the percentage of quantitative, empirical articles that were theory driven. Only 43% of the studies utilized a theory or model, and 57% predicted the relation between the variables, with few studies specifying the strength of the relation. Studies sampled in the…

  14. QTAIM investigation of bis(pyrazol-1-ylmethane derivative and its Zn(II complexes (ZnLX2, X=Cl, Br or I

    Directory of Open Access Journals (Sweden)

    Dehestani Maryam

    2015-01-01

    Full Text Available Topological analyses of the electron density using the quantum theory of atoms in molecules (QTAIM have been carried out at the B3PW91/6-31g (d theoretical level, on bis(pyrazol-1-ylmethanes derivatives 9-(4-(di (1H-pyrazol-1-yl-methylphenyl-9H-carbazole (L and its zinc(II complexes: ZnLCl2 (1, ZnLBr2 (2 and ZnLI2 (3. The topological parameters derived from Bader theory were also analyzed; these are characteristics of Zn-bond critical points and also of ring critical points. The calculated structural parameters are the frontier molecular orbital energies highest occupied molecular orbital energy (EHOMO, lowest unoccupied molecular orbital energy (ELUMO, hardness (η, softness (S, the absolute electronegativity (χ, the electrophilicity index (ω and the fractions of electrons transferred (ΔN from ZnLX2 complexes to L. The numerous correlations and dependencies between energy terms of the Symmetry Adapted Perturbation Theory approach (SAPT, geometrical, topological and energetic parameters were detected and described.

  15. An investigation into the effect of type I and type II diabetes duration on employment and wages.

    Science.gov (United States)

    Minor, Travis

    2013-12-01

    Using data from the National Longitudinal Survey of Youth 1979, the current study examines the effect of type I and type II diabetes on employment status and wages. The results suggest that both the probability of employment and wages are negatively related to the number of years since the initial diagnosis of diabetes. Moreover, the effect of diabetes duration on the probability of employment appears to be nonlinear, peaking around 16 years for females and 10 years for males. A similar negative effect on wages is found only in male diabetics. Finally, the results suggest that failure to distinguish between type I and type II diabetics may lead to some counterintuitive results. Published by Elsevier B.V.

  16. Investigation of interaction between the Pt(II) ions and aminosilane-modified silica surface in heterogeneous system

    Science.gov (United States)

    Nowicki, Waldemar; Gąsowska, Anna; Kirszensztejn, Piotr

    2016-05-01

    UV-vis spectroscopy measurements confirmed the reaction in heterogeneous system between Pt(II) ions and ethylenediamine type ligand, n-(2-aminoethyl)-3-aminopropyl-trimethoxysilane, immobilized at the silica surface. The formation of complexes is a consequence of interaction between the amine groups from the ligand grafted onto SiO2 and ions of platinum. A potentiometric titration technique was to determine the stability constants of complexes of Pt(II) with immobilized insoluble ligand (SG-L), on the silica gel. The results show the formation of three surface complexes of the same type (PtHSG-L, Pt(HSG-L)2, PtSG-L) with SG-L ligand, in a wide range of pH for different Debye length. The concentration distribution of the complexes in a heterogeneous system is evaluated.

  17. Supergravity theories

    International Nuclear Information System (INIS)

    Uehara, S.

    1985-01-01

    Of all supergravity theories, the maximal, i.e., N = 8 in 4-dimension or N = 1 in 11-dimension, theory should perform the unification since it owns the highest degree of symmetry. As to the N = 1 in d = 11 theory, it has been investigated how to compactify to the d = 4 theories. From the phenomenological point of view, local SUSY GUTs, i.e., N = 1 SUSY GUTs with soft breaking terms, have been studied from various angles. The structures of extended supergravity theories are less understood than those of N = 1 supergravity theories, and matter couplings in N = 2 extended supergravity theories are under investigation. The harmonic superspace was recently proposed which may be useful to investigate the quantum effects of extended supersymmetry and supergravity theories. As to the so-called Kaluza-Klein supergravity, there is another possibility. (Mori, K.)

  18. Protocol for investigating genetic determinants of posttraumatic stress disorder in women from the Nurses' Health Study II

    OpenAIRE

    Koenen, Karestan C; DeVivo, Immaculata; Rich-Edwards, Janet; Smoller, Jordan W; Wright, Rosalind J; Purcell, Shaun M

    2009-01-01

    Abstract Background One in nine American women will meet criteria for the diagnosis of posttraumatic stress disorder (PTSD) in their lifetime. Although twin studies suggest genetic influences account for substantial variance in PTSD risk, little progress has been made in identifying variants in specific genes that influence liability to this common, debilitating disorder. Methods and design We are using the unique resource of the Nurses Health Study II, a prospective epidemiologic cohort of 6...

  19. Design of glycopeptides used to investigate class II MHC binding and T-cell responses associated with autoimmune arthritis.

    Directory of Open Access Journals (Sweden)

    Ida E Andersson

    Full Text Available The glycopeptide fragment CII259-273 from type II collagen (CII binds to the murine A(q and human DR4 class II Major Histocompatibility Complex (MHC II proteins, which are associated with development of murine collagen-induced arthritis (CIA and rheumatoid arthritis (RA, respectively. It has been shown that CII259-273 can be used in therapeutic vaccination of CIA. This glycopeptide also elicits responses from T-cells obtained from RA patients, which indicates that it has an important role in RA as well. We now present a methodology for studies of (glycopeptide-receptor interactions based on a combination of structure-based virtual screening, ligand-based statistical molecular design and biological evaluations. This methodology included the design of a CII259-273 glycopeptide library in which two anchor positions crucial for binding in pockets of A(q and DR4 were varied. Synthesis and biological evaluation of the designed glycopeptides provided novel structure-activity relationship (SAR understanding of binding to A(q and DR4. Glycopeptides that retained high affinities for these MHC II proteins and induced strong responses in panels of T-cell hybridomas were also identified. An analysis of all the responses revealed groups of glycopeptides with different response patterns that are of high interest for vaccination studies in CIA. Moreover, the SAR understanding obtained in this study provides a platform for the design of second-generation glycopeptides with tuned MHC affinities and T-cell responses.

  20. Quantum chemical calculations and experimental investigations on 2-aminobenzoic acid-cyclodiphosph(V)azane derivative and its homo-binuclear Cu(II) complex

    Science.gov (United States)

    El-Gogary, Tarek M.; Alaghaz, Abdel-Nasser M. A.; Ammar, Reda A. A.

    2012-03-01

    A novel 2-aminobenzoic acid-cyclodiphosph(V)azane ligand H4L and its homo-binuclear Cu(II) complex of the type [Cu2L(H2O)2].2.5 H2O in which L is 1,3-di(-o-pyridyl)-2,4-(dioxo)-2',4'-bis-(2-iminobenzoic acid) cyclodiphosph(V)azane, were synthesized and characterized by different physical techniques. Infrared spectra of the complex indicate deprotonation and coordination of the imine NH and carboxyl COOH groups. It also confirms that nitrogen atom of the pyridine ring contribute to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square-planar geometry for the Cu(II) complex. The elemental analyses and thermogravimetric results have justified the [Cu2L(H2O)2]·2.5H2O composition of the complex. Quantum chemical calculations were utilized to explore the electronic structure and stability of the H4L as well as the binuclear Cu(II) complex. Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of H4L and its binuclear Cu(II) complex. Different tautomers and geometrical isomers of the ligand were optimized at the ab initio DFT level. Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra.

  1. Human development II: We Need an Integrated Theory for Matter, Life and Consciousness to Understand Life and Healing

    Directory of Open Access Journals (Sweden)

    Sören Ventegodt

    2006-01-01

    Full Text Available For almost a decade, we have experimented with supporting the philosophical development of severely ill patients to induce recovery and spontaneous healing. Recently, we have observed a new pattern of extremely rapid, spontaneous healing that apparently can facilitate even the spontaneous remission of cancer and the spontaneous recovery of mental diseases like schizophrenia and borderline schizophrenia. Our working hypothesis is that the accelerated healing is a function of the patient’s brain-mind and body-mind coming closer together due to the development of what we call “deep” cosmology. To understand and describe what happens at a biological level, we have suggested naming the process adult human metamorphosis, a possibility that is opened by the human genome showing full generic equipment for metamorphosis. To understand the mechanistic details in the complicated interaction between consciousness and biology, we need an adequate theory for biological information. In a series of papers, we propose what we call “holistic biology for holistic medicine”. We suggest that a relatively simple model based on interacting wholenesses instead of isolated parts can shed a new light on a number of difficult issues that we need to explain and understand in biology and medicine in order to understand and use metamorphosis in the holistic medical clinic. We aim to give a holistic theoretical interpretation of biological phenomena at large, morphogenesis, evolution, immune system regulation (self-nonself discrimination, brain function, consciousness, and health in particular. We start at the most fundamental problem: what is biological information at the subcellular, cellular, and supracellular levels if we presume that it is the same phenomenon on all levels (using Occam's razor, and how can this be described scientifically? The problems we address are all connected to the information flow in the functioning, living organism: function of the brain

  2. Human development II: we need an integrated theory for matter, life and consciousness to understand life and healing.

    Science.gov (United States)

    Ventegodt, Søren; Hermansen, Tyge Dahl; Nielsen, Maj Lyck; Clausen, Birgitte; Merrick, Joav

    2006-07-06

    For almost a decade, we have experimented with supporting the philosophical development of severely ill patients to induce recovery and spontaneous healing. Recently, we have observed a new pattern of extremely rapid, spontaneous healing that apparently can facilitate even the spontaneous remission of cancer and the spontaneous recovery of mental diseases like schizophrenia and borderline schizophrenia. Our working hypothesis is that the accelerated healing is a function of the patient's brain-mind and body-mind coming closer together due to the development of what we call "deep" cosmology. To understand and describe what happens at a biological level, we have suggested naming the process adult human metamorphosis, a possibility that is opened by the human genome showing full generic equipment for metamorphosis. To understand the mechanistic details in the complicated interaction between consciousness and biology, we need an adequate theory for biological information. In a series of papers, we propose what we call "holistic biology for holistic medicine". We suggest that a relatively simple model based on interacting wholenesses instead of isolated parts can shed a new light on a number of difficult issues that we need to explain and understand in biology and medicine in order to understand and use metamorphosis in the holistic medical clinic. We aim to give a holistic theoretical interpretation of biological phenomena at large, morphogenesis, evolution, immune system regulation (self-nonself discrimination), brain function, consciousness, and health in particular. We start at the most fundamental problem: what is biological information at the subcellular, cellular, and supracellular levels if we presume that it is the same phenomenon on all levels (using Occam's razor), and how can this be described scientifically? The problems we address are all connected to the information flow in the functioning, living organism: function of the brain and consciousness, the

  3. The investigation formation of complexes of Fe(III) and Fe(II) in the water solution of imidazole at 298 K

    International Nuclear Information System (INIS)

    Radjabov, U.R.; Yusupov, Z.N.; Sharipov, I.Kh.

    2001-01-01

    C H lm=0.1 mol/l, C F e(II)=1·10 - 4 m ol/l and iron sterns: 0.10, 0.25, 0.50 and 1.00 mol/l. It is established that in the investigated systems form at different on composition mono-, polynuclear, homo-- and heterovalent coordination compounds. In aids of the oxidation function accurate the composition, defined the constants formation and domination sphere of complex forms

  4. Altitude-Wind-Tunnel Investigation of a 4000-Pound-Thrust Axial-Flow Turbojet Engine. II - Operational Characteristics. II; Operational Characteristics

    Science.gov (United States)

    Fleming, William A.

    1948-01-01

    An investigation was conducted in the Cleveland altitude wind tunnel to determine the operational characteristics of an axial flow-type turbojet engine with a 4000-pound-thrust rating over a range of pressure altitudes from 5,000 to 50,OOO feet, ram pressure ratios from 1.00 to 1.86, and temperatures from 60 deg to -50 deg F. The low-flow (standard) compressor with which the engine was originally equipped was replaced by a high-flow compressor for part of the investigation. The effects of altitude and airspeed on such operating characteristics as operating range, stability of combustion, acceleration, starting, operation of fuel-control systems, and bearing cooling were investigated. With the low-flow compressor, the engine could be operated at full speed without serious burner unbalance at altitudes up to 50,000 feet. Increasing the altitude and airspeed greatly reduced the operable speed range of the engine by raising the minimum operating speed of the engine. In several runs with the high-flow compressor the maximum engine speed was limited to less than 7600 rpm by combustion blow-out, high tail-pipe temperatures, and compressor stall. Acceleration of the engine was relatively slow and the time required for acceleration increased with altitude. At maximum engine speed a sudden reduction in jet-nozzle area resulted in an immediate increase in thrust. The engine started normally and easily below 20,000 feet with each configuration. The use of a high-voltage ignition system made possible starts at a pressure altitude of 40,000 feet; but on these starts the tail-pipe temperatures were very high, a great deal of fuel burned in and behind the tail-pipe, and acceleration was very slow. Operation of the engine was similar with both fuel regulators except that the modified fuel regulator restricted the fuel flow in such a manner that the acceleration above 6000 rpm was very slow. The bearings did not cool properly at high altitudes and high engine speeds with a low

  5. Time dependent-density functional theory (TD-DFT) and experimental studies of UV-Visible spectra and cyclic voltammetry for Cu(II) complex with Et2DTC

    Science.gov (United States)

    Valle, Eliana Maira A.; Maltarollo, Vinicius Gonçalves; Almeida, Michell O.; Honorio, Kathia Maria; dos Santos, Mauro Coelho; Cerchiaro, Giselle

    2018-04-01

    In this work, we studied the complexation mode between copper(II) ion and the specific ligand investigated as carriers of metals though biological membranes, diethyldithiocarbamate (Et2DTC). It is important to understand how this occurs because it is an important intracellular chelator with potential therapeutic applications. Theoretical and experimental UV visible studies were performed to investigate the complexation mode between copper and the ligand. Electrochemical studies were also performed to complement the spectroscopic analyses. According to the theoretical calculations, using TD-DFT (Time dependent density functional theory), with B3LYP functional and DGDVZP basis set, implemented in Gaussian 03 package, it was observed that the formation of the complex [Cu(Et2DTC)2] is favorable with higher electron density over the sulfur atoms of the ligand. UV/Vis spectra have a charge transfer band at 450 nm, with the DMSO-d6 band shift from 800 to 650 nm. The electrochemical experiments showed the formation of a new redox process, referring to the complex, where the reduction peak potential of copper is displaced to less positive region. Therefore, the results obtained from this study give important insights on possible mechanisms involved in several biological processes related to the studied system.

  6. An investigation into the relevance of action planning, theory of planned behaviour concepts, and automaticity for fruit intake action control.

    Science.gov (United States)

    de Bruijn, Gert-Jan; Wiedemann, Amelie; Rhodes, Ryan E

    2014-09-01

    In the action control framework, intention-behaviour discordance is studied around public health guidelines. Although this framework has been applied to physical activity behaviours, it has only seen very limited attention regarding fruit intake. The purpose of this study was therefore to investigate distributions and predictors of fruit intake intention-behaviour discordance. Prospective correlational design. Data were obtained from undergraduate students (n = 413) using validated questionnaires. Variables from the theory of planned behaviour, automaticity, and action planning were assessed at baseline, and fruit intake was assessed 2 weeks later. Data were analysed using discriminant function analyses and analyses of variance. The proportion of unsuccessful intenders ranged from 39.2% to 80.8%. There was a larger proportion of fruit intake intenders amongst those who reported strong automatic fruit intake. Action control was predicted by fruit intake automaticity and affective attitudes, but the strongest predictor was perceived behavioural control. No action planning items were related to fruit intake action control. There is considerable asymmetry in the intention-fruit intake relationship. An application of the action control framework may stimulate debate on the applicability of intention-based models at the public health level. What is already known on this subject? Intention is theorized to be a key construct in fruit intake. Studies in the physical activity domain indicate that nearly half of the people with positive intentions fail to subsequently act. What does this study add? The proportion of unsuccessful intenders ranged from 39.2% to 80.8%. Holding positive intentions is not sufficient to consume fruit at suggested public health guidelines. Perceived behavioural control is the most important predictor of fruit intake action control. © 2013 The British Psychological Society.

  7. Social Anxiety Symptoms in Young Children: Investigating the Interplay of Theory of Mind and Expressions of Shyness.

    Science.gov (United States)

    Colonnesi, Cristina; Nikolić, Milica; de Vente, Wieke; Bögels, Susan M

    2017-07-01

    Children's early onset of social anxiety may be associated with their social understanding, and their ability to express emotions adaptively. We examined whether social anxiety in 48-month-old children (N = 110; 54 boys) was related to: a) a lower level of theory of mind (ToM); b) a lower proclivity to express shyness in a positive way (adaptive); and c) a higher tendency to express shyness in a negative way (non-adaptive). In addition, we investigated to what extent children's level of social anxiety was predicted by the interaction between ToM and expressions of shyness. Children's positive and negative expressions of shyness were observed during a performance task. ToM was measured with a validated battery, and social anxiety was assessed using both parents' reports on questionnaires. Socially anxious children had a lower level of ToM, and displayed more negative and less positive shy expressions. However, children with a lower level of ToM who expressed more positive shyness were less socially anxious. Additional results show that children who displayed shyness only in a negative manner were more socially anxious than children who expressed shyness only in a positive way and children who did not display any shyness. Moreover, children who displayed both positive and negative expressions of shyness were more socially anxious than children who displayed shyness only in a positive way. These findings highlight the importance of ToM development and socio-emotional strategies, and their interaction, on the early development of social anxiety.

  8. Investigation of self-powered gamma flux detectors with Lead(II) oxide serving as both emitter and insulator

    International Nuclear Information System (INIS)

    Shi, H.; Yue, S.; Jonkmans, G.; Sur, B.; Hilborn, J.

    2010-01-01

    The use of Lead(II) oxide as the electron-emitting component and the insulating component of self-powered flux detectors is a concept that had not been previously explored. Detectors constructed from various combinations of electrodes (stainless steel, Al, Pb, and W) and insulating materials (Al 2 O 3 and PbO) were irradiated in a 427 Gy/h gamma field. Although high gamma sensitivities were achieved, PbO did not prove to be a strong emitter of gamma-induced electrons. Nevertheless, PbO did serve as a better insulator than one that is currently in use, namely alumina. (author)

  9. Electrokinetic investigations on the system polystyrene/aqueous electrolyte solution : verification of model theories on dilute and concentrated dispersions

    NARCIS (Netherlands)

    Put, van der A.G.

    1980-01-01

    This thesis presents a systematic experimental and theoretical study on electrokinetic and electroconducting properties of disperse systems. The increasing interest in transport processes through charged porous systems has recently brought about a corresponding growth of models and theories since

  10. Theory of pixel lensing towards M31 II, The velocity anisotropy and flattening of the MACHO distribution

    CERN Document Server

    Kerins, E; Evans, N W; Baillon, Paul; Carr, B J; Giraud-Héraud, Yannick; Gould, A; Hewett, P C; Kaplan, J; Paulin-Henriksson, S; Smartt, S J; Tsapras, Y; Valls-Gabaud, D

    2003-01-01

    The POINT-AGAPE collaboration is currently searching for massive compact halo objects (MACHOs) towards the Andromeda galaxy (M31). The survey aims to exploit the high inclination of the M31 disk, which causes an asymmetry in the spatial distribution of M31 MACHOs. Here, we investigate the effects of halo velocity anisotropy and flattening on the asymmetry signal using simple halo models. For a spherically symmetric and isotropic halo, we find that the underlying pixel-lensing rate in far-disk M31 MACHOs is more than 5 times the rate of near-disk events. We find that the asymmetry is increased further by about 30% if the MACHOs occupy radial orbits rather than tangential orbits, but is substantially reduced if the MACHOs lie in a flattened halo. However, even for haloes with a minor-to-major axis ratio q = 0.3, the numbers of M31 MACHOs in the far-side outnumber those in the near-side by a factor of ~2. We show that, if positional information is exploited in addition to number counts, then the number of candid...

  11. Optimising the use of marine tephrochronology in the North Atlantic: a detailed investigation of the Faroe Marine Ash Zones II, III and IV

    Science.gov (United States)

    Griggs, Adam J.; Davies, Siwan M.; Abbott, Peter M.; Rasmussen, Tine L.; Palmer, Adrian P.

    2014-12-01

    Tephrochronology is central to the INTIMATE goals for testing the degree of climatic synchroneity during abrupt climatic events that punctuated the last glacial period. Since their identification in North Atlantic marine sequences, the Faroe Marine Ash Zone II (FMAZ II), FMAZ III and FMAZ IV have received considerable attention due to their potential for high-precision synchronisation with the Greenland ice-cores. In order to optimise the use of these horizons as isochronous markers, a detailed re-investigation of their geochemical composition, sedimentology and the processes that deposited each ash zone is presented. Shard concentration profiles, geochemical homogeneity and micro-sedimentological structures are investigated for each ash zone preserved within core JM11-19PC, retrieved from the southeastern Norwegian Sea on the central North Faroe Slope. This approach allows a thorough assessment of primary ash-fall preservation and secondary depositional features and demonstrates its value for assessing depositional integrity in the marine environment. Results indicate that the FMAZ II and IV are well-resolved primary deposits that can be used as isochrons for high-precision correlation studies. We outline key recommendations for future marine tephra studies and provide a protocol for optimising the application of tephrochronology to meet the INTIMATE synchronisation goals.

  12. Theory of Mind Skills in Young Adults with Autism Spectrum Disorder: Investigating the Influence of Peer Coaches and Mind Reading Software

    Science.gov (United States)

    Fox, Mary Murphy

    2012-01-01

    The current study investigated Theory of Mind in young adults with autism. The young adults with autism spectrum disorder (ASD) consisted of four students between the ages of 18 and 19 from an on-campus program for students with autism located at Marywood University in Northeastern Pennsylvania. It was hypothesized that "Mind Reading",…

  13. X-ray Diffraction and Density Functional Theory Provide Insight into Vanadate Binding to Homohexameric Bromoperoxidase II and the Mechanism of Bromide Oxidation.

    Science.gov (United States)

    Radlow, Madlen; Czjzek, Mirjam; Jeudy, Alexandra; Dabin, Jerome; Delage, Ludovic; Leblanc, Catherine; Hartung, Jens

    2018-05-18

    X-ray diffraction of native bromoperoxidase II (EC 1.11.1.18) from the brown alga Ascophyllum nodosum reveals at a resolution of 2.26 Å details of orthovanadate binding and homohexameric protein organization. Three dimers interwoven in contact regions and tightened by hydrogen-bond-clamped guanidinium stacks along with regularly aligned water molecules form the basic structure of the enyzme. Intra- and intermolecular disulfide bridges further stabilize the enzyme preventing altogether the protein from denaturing up to a temperature of 90 °C, as evident from dynamic light scattering and the on-gel ortho-dianisidine assay. Every monomer binds one equivalent of orthovanadate in a cavity formed from side chains of three histidines, two arginines, one lysine, serine, and tryptophan. Protein binding occurs primarily through hydrogen bridges and superimposed by Coulomb attraction according to thermochemical model on density functional level of theory (B3LYP/6-311++G**). The strongest attractor is the arginine side chain mimic N-methylguanidinium, enhancing in positive cooperative manner hydrogen bridges toward weaker acceptors, such as residues from lysine and serine. Activating hydrogen peroxide occurs in the thermochemical model by side-on binding in orthovanadium peroxoic acid, oxidizing bromide with virtually no activation energy to hydrogen bonded hypobromous acid.

  14. Investigation of the impact of mechanical stress on the properties of silicon sensor modules for the ATLAS Phase II upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Stegler, Martin; Polay, Luise; Spehrlich, Dennis; Bloch, Ingo [DESY, Zeuthen (Germany)

    2016-07-01

    The new ATLAS tracker for phase II will be composed of silicon pixel and strip sensor modules. Such a module consists of silicon sensors, boards and readout chips. In a currently ongoing study new adhesives to connect the modular components thermally and mechanically are examined. It was shown that the silicon sensor is exposed to mechanical stress when part of a module. Mechanical stress can cause damage to a sensor and can change the tensors of electrical properties. The study of the effects of mechanical stress on characteristics of the silicon sensor modules are the focus in this presentation. The thermal induced tensile stress near to the surface of a silicon sensor build in a module was simulated. A four point bending setup was used to measure the maximum tensile stress of silicon and to verify the piezoresistive effect on ATLAS07 sensors. The results of the electrical measurements and simulations of stressed silicon sensor modules are shown in the presentation.

  15. [An epidemiological investigation on a food-born outbreak of noroviru caused by Sydney 2012 G II.4 strain].

    Science.gov (United States)

    Cai, Wen-Feng; Xie, Hua-Ping; Liu, Yu-Fei; Yuan, Jun; Xiao, Xin-Cai; Ding, Peng; Chen, Chun; Zhang, Du; Chen, Jian-Dong; Ma, Xiao-Wei; Geng, Jin-Mei; Lin, Dong-Ming; Lian, Gui-Xiong; Yang, Zhi-Cong

    2013-08-01

    To identify the source of infection, route of transmission and risk factors related to a cluster of acute gastroenteritis cases in a university of Guangzhou. Cases were identified according to the definition. Descriptive epidemiological approaches and case-control study designs were employed in the analysis. All the samples were tested for norovirus by RT-PCR. Positive samples were subjected to both nucleotide sequence and homology analysis. A total of 141 cases related to norovirus gastroenteritis were identified in January 8 to 21, 2013, with the attack rate as 8.5 per thousand (141/16,600). The peak in morbidity was seen on January 8 to 9. No clustering was found in different classes or dormitories. Results from the case-control study revealed that early cases were infected in Restaurant A (OR = 3.46, 95% CI: 1.07-11.16) and the cold shredded chicken set meal (OR = 17.82, 95% CI: 4.46-78.17) served at lunch (OR = 4.34, 95% CI: 1.18 -17.37) on January 7 was under suspicion. A total of 266 samples, including rectal swabs from the patients and kitchen wokers, leftover food and environmental swabs, were collected. Twenty-one samples (collected from 17 persons) were positive for norovirus by RT-PCR. About 29.6% (8/27) of the kitchen workers in the Restaurant A were tested positive for the virus. The pathogen was identified as the new norovirus genotype II.4 variant, termed Sydney 2012. The virus strains isolated from the patients among student and staff and the kitchen workers were 100% identical in their nucleotide sequence. This was the first reported acute gastroenteritis outbreak caused by the new norovirus genotype II.4 variant, Sydney 2012, which showed that the food was contaminated by the asymptomatic kitchen workers who carried the virus.

  16. Effects of PEGylated lipid nanoparticles on the oral absorption of one BCS II drug: a mechanistic investigation

    Directory of Open Access Journals (Sweden)

    Zhang XW

    2014-11-01

    Full Text Available Xingwang Zhang,* Guijiang Chen,* Tianpeng Zhang, Zhiguo Ma, Baojian WuDivision of Pharmaceutics, College of Pharmacy, Jinan University, Guangzhou, People’s Republic of China*These authors contributed equally to this workAbstract: Lipid nanocarriers are becoming a versatile platform for oral delivery of lipophilic drugs. In this article, we aimed to explore the gastrointestinal behaviors of lipid nanoparticles and the effect of PEGylation on oral absorption of fenofibrate (FN, a Biopharmaceutics Classification System (BCS II model drug. FN-loaded PEGylated lipid nanoparticles (FN-PLNs were prepared by the solvent-diffusion method and characterized by particle size distribution, morphology, Fourier transform infrared spectroscopy, and drug release. Lipolytic experiments were performed to assess the resistance of lipid nanoparticles against pancreatic lipase. Pharmacokinetics was evaluated in rats after oral administration of FN preparations. The obtained FN-PLNs were 186.7 nm in size with an entrapment efficiency of >95%. Compared to conventional lipid nanoparticles, PLNs exhibited slower drug release in the lipase-containing medium, strikingly reduced mucin binding, and suppressed lipolysis in vitro. Further, oral absorption of FN was significantly enhanced using PLNs with relative bioavailability of 123.9% and 157.0% to conventional lipid nanoparticles and a commercial formulation (Lipanthyl®, respectively. It was demonstrated that reduced mucin trapping, suppressed lipolysis, and/or improved mucosal permeability were responsible for increased oral absorption. These results facilitated a better understanding of the in vivo fate of lipid nanoparticles, and suggested the potential of PLNs as oral carriers of BCS II drugs.Keywords: fenofibrate, lipid nanoparticles, PEGylation, oral bioavailability, absorption mechanism

  17. Risk theory

    CERN Document Server

    Schmidli, Hanspeter

    2017-01-01

    This book provides an overview of classical actuarial techniques, including material that is not readily accessible elsewhere such as the Ammeter risk model and the Markov-modulated risk model. Other topics covered include utility theory, credibility theory, claims reserving and ruin theory. The author treats both theoretical and practical aspects and also discusses links to Solvency II. Written by one of the leading experts in the field, these lecture notes serve as a valuable introduction to some of the most frequently used methods in non-life insurance. They will be of particular interest to graduate students, researchers and practitioners in insurance, finance and risk management.

  18. Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Hem, Caroline Piper; Schultz, Logan Nicholas

    2014-01-01

    broadening from macroscopic dielectric effects. We detect water adsorbed on the high surface area synthetic calcite, which permits observation of the chemistry of thin liquid films on calcite using transmission infrared spectroscopy. The combination of infrared spectroscopy and density functional theory also...... asymmetric for the coccoliths and the synthetic calcite prepared using the carbonation method. It can be very well fitted by two peaks: a narrow Lorenzian at lower frequency and a broader Gaussian at higher frequency. These two samples both have a high specific surface area. Density functional theory...

  19. Viability Theory

    CERN Document Server

    Aubin, Jean-Pierre; Saint-Pierre, Patrick

    2011-01-01

    Viability theory designs and develops mathematical and algorithmic methods for investigating the adaptation to viability constraints of evolutions governed by complex systems under uncertainty that are found in many domains involving living beings, from biological evolution to economics, from environmental sciences to financial markets, from control theory and robotics to cognitive sciences. It involves interdisciplinary investigations spanning fields that have traditionally developed in isolation. The purpose of this book is to present an initiation to applications of viability theory, explai

  20. Investigation of Virtual Digital Human and Robotic Device Technology Merger Complimented by Haptics and Autostereoscopic Displays, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — As expected, the STTR Phase I investigation confirmed that the Digital Virtual Human (DVH) and Robonaut technologies can be merged, and that haptic and...