WorldWideScience

Sample records for basis set effects

  1. Symmetry Adapted Basis Sets

    DEFF Research Database (Denmark)

    Avery, John Scales; Rettrup, Sten; Avery, James Emil

    In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding...... in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets...

  2. Dynamical basis set

    International Nuclear Information System (INIS)

    Blanco, M.; Heller, E.J.

    1985-01-01

    A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable

  3. Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.

    Science.gov (United States)

    Witte, Jonathon; Neaton, Jeffrey B; Head-Gordon, Martin

    2017-06-21

    With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which-when stripped of BSSE-is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals-such as B97M-V-to recover large-basis results at a fraction of the cost.

  4. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    International Nuclear Information System (INIS)

    Spackman, Peter R.; Karton, Amir

    2015-01-01

    Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L α two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol –1 . The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol –1

  5. Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

    Energy Technology Data Exchange (ETDEWEB)

    Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au [School of Chemistry and Biochemistry, The University of Western Australia, Perth, WA 6009 (Australia)

    2015-05-15

    Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.

  6. Conductance calculations with a wavelet basis set

    DEFF Research Database (Denmark)

    Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel

    2003-01-01

    . The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...

  7. Accurate basis set truncation for wavefunction embedding

    Science.gov (United States)

    Barnes, Taylor A.; Goodpaster, Jason D.; Manby, Frederick R.; Miller, Thomas F.

    2013-07-01

    Density functional theory (DFT) provides a formally exact framework for performing embedded subsystem electronic structure calculations, including DFT-in-DFT and wavefunction theory-in-DFT descriptions. In the interest of efficiency, it is desirable to truncate the atomic orbital basis set in which the subsystem calculation is performed, thus avoiding high-order scaling with respect to the size of the MO virtual space. In this study, we extend a recently introduced projection-based embedding method [F. R. Manby, M. Stella, J. D. Goodpaster, and T. F. Miller III, J. Chem. Theory Comput. 8, 2564 (2012)], 10.1021/ct300544e to allow for the systematic and accurate truncation of the embedded subsystem basis set. The approach is applied to both covalently and non-covalently bound test cases, including water clusters and polypeptide chains, and it is demonstrated that errors associated with basis set truncation are controllable to well within chemical accuracy. Furthermore, we show that this approach allows for switching between accurate projection-based embedding and DFT embedding with approximate kinetic energy (KE) functionals; in this sense, the approach provides a means of systematically improving upon the use of approximate KE functionals in DFT embedding.

  8. Entanglement patterns in mutually unbiased basis sets

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, Jay [Department of Physics and Astronomy, Dartmouth College, Hanover, New Hampshire 03755 (United States) and The James Franck Institute, University of Chicago, Chicago, Illinois 60637 (United States)

    2011-08-15

    A few simply stated rules govern the entanglement patterns that can occur in mutually unbiased basis sets (MUBs) and constrain the combinations of such patterns that can coexist in full complements of MUBs. We consider Hilbert spaces of prime power dimensions (D=p{sup N}), as realized by systems of N prime-state particles, where full complements of D+1 MUBs are known to exist, and we assume only that MUBs are eigenbases of generalized Pauli operators, without using any particular construction. The general rules include the following: (1) In any MUB, a given particle appears either in a pure state or totally entangled and (2) in any full MUB complement, each particle is pure in (p+1) bases (not necessarily the same ones) and totally entangled in the remaining (p{sup N}-p). It follows that the maximum number of product bases is p+1 and, when this number is realized, all remaining (p{sup N}-p) bases in the complement are characterized by the total entanglement of every particle. This ''standard distribution'' is inescapable for two-particle systems (of any p), where only product and generalized Bell bases are admissible MUB types. This and the following results generalize previous results for qubits [Phys. Rev. A 65. 032320 (2002); Phys. Rev. A 72, 062310 (2005)] and qutrits [Phys. Rev. A 70, 012302 (2004)], drawing particularly upon [Phys. Rev. A 72, 062310 (2005)]. With three particles there are three MUB types, and these may be combined in (p+2) different ways to form full complements. With N=4, there are 6 MUB types for p=2, but new MUB types become possible with larger p, and these are essential to realizing full complements. With this example, we argue that new MUB types that show new entanglement patterns should enter with every step in N and, also, when N is a prime plus 1, at a critical p value, p=N-1. Such MUBs should play critical roles in filling complements.

  9. Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme.

    Science.gov (United States)

    Anacker, Tony; Hill, J Grant; Friedrich, Joachim

    2016-04-21

    Minimal basis sets, denoted DSBSenv, based on the segmented basis sets of Ahlrichs and co-workers have been developed for use as environmental basis sets for the domain-specific basis set (DSBS) incremental scheme with the aim of decreasing the CPU requirements of the incremental scheme. The use of these minimal basis sets within explicitly correlated (F12) methods has been enabled by the optimization of matching auxiliary basis sets for use in density fitting of two-electron integrals and resolution of the identity. The accuracy of these auxiliary sets has been validated by calculations on a test set containing small- to medium-sized molecules. The errors due to density fitting are about 2-4 orders of magnitude smaller than the basis set incompleteness error of the DSBSenv orbital basis sets. Additional reductions in computational cost have been tested with the reduced DSBSenv basis sets, in which the highest angular momentum functions of the DSBSenv auxiliary basis sets have been removed. The optimized and reduced basis sets are used in the framework of the domain-specific basis set of the incremental scheme to decrease the computation time without significant loss of accuracy. The computation times and accuracy of the previously used environmental basis and that optimized in this work have been validated with a test set of medium- to large-sized systems. The optimized and reduced DSBSenv basis sets decrease the CPU time by about 15.4% and 19.4% compared with the old environmental basis and retain the accuracy in the absolute energy with standard deviations of 0.99 and 1.06 kJ/mol, respectively.

  10. Noisy signal filtration using complex wavelet basis sets

    Science.gov (United States)

    Yaseen, A. S.; Pavlova, O. N.; Pavlov, A. N.

    2017-07-01

    Methods of noisy signal filtration using a discrete wavelet transform (DWT) with real basis sets of the Daubechies family are compared to methods employing a double-density dual-tree complex wavelet transform (DDCWT) with excess (nonorthonormalized) basis sets. Recommendations concerning the choice of filter parameters for minimization of the error of noisy signal filtration are formulated.

  11. KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

    NARCIS (Netherlands)

    VISSCHER, L; AERTS, PJC; VISSER, O; NIEUWPOORT, WC

    1991-01-01

    A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in

  12. Construction and performance of fully numerical optimum atomic basis sets

    Science.gov (United States)

    Lange, Björn; Freysoldt, Christoph; Neugebauer, Jörg

    2011-08-01

    We propose a method for constructing small atomic basis sets that optimally mimic the Kohn-Sham wave functions of an underlying plane-wave calculation. The key quantity of the optimization procedure is the spillage: the relative amount of the occupied Hilbert-space norm lost in the projection onto the atomic basis. To ensure full flexibility in the radial shape, we represent the basis functions by radial momentum-space spline functions. With our approach we reach spillages in the order of 10-4 when using minimal basis sets. Band structure calculations on top of a self-consistent linear-combination-of-atomic-orbitals (LCAO) run reproduce the occupied part of the band structure within a few tens meV. However, minimal basis sets are not flexible enough for obtaining material properties such as the lattice constant and the bulk modulus but require basis sets with f orbitals. Basis sets generated for Si, GaN, Al, and NaCl reach a spillage of ˜10-5 and reproduce lattice constants and bulk moduli within 0.03% and 5%, respectively.

  13. ORBITAL CONNECTIONS FOR PERTURBATION-DEPENDENT BASIS-SETS

    DEFF Research Database (Denmark)

    Olsen, Jeppe; Bak, Keld L.; Ruud, K.

    1995-01-01

    The use of perturbation-dependent basis sets is analysed with emphasis on the connection between the basis sets at different values of the perturbation strength. A particular connection, the natural connection, that minimizes the change of the basis set orbitals is devised and the second quantiza......The use of perturbation-dependent basis sets is analysed with emphasis on the connection between the basis sets at different values of the perturbation strength. A particular connection, the natural connection, that minimizes the change of the basis set orbitals is devised and the second...... quantization realization of this connection is introduced. It is shown that the natural connection is important for the efficient evaluation of molecular properties and for the physical interpretation of the terms entering the calculated properties. For example, in molecular Hessian calculations the natural...... connection reduces the size of the relaxation term, leading to faster convergence of the response equations. The physical separation of the terms also means that first-order non-adiabatic coupling matrix elements can be obtained in a very simple way from a molecular Hessian calculation....

  14. Point Set Denoising Using Bootstrap-Based Radial Basis Function.

    Science.gov (United States)

    Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

    2016-01-01

    This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

  15. Approaching the Hartree-Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis Sets.

    Science.gov (United States)

    Shaw, Robert A; Hill, J Grant

    2017-04-11

    Auxiliary basis sets for use in the resolution of the identity (RI) approximation in explicitly correlated methods are presented for the elements H-Ar. These extend the cc-pVnZ-F12/OptRI (n = D-Q) auxiliary basis sets of Peterson and co-workers by the addition of a small number of s- and p-functions, optimized so as to yield the greatest complementary auxiliary basis set (CABS) singles correction to the Hartree-Fock energy. The new sets, denoted OptRI+, also lead to a reduction in errors due to the RI approximation and hence an improvement in correlation energies. The atomization energies and heats of formation for a test set of small molecules, and spectroscopic constants for 27 diatomics, calculated at the CCSD(T)-F12b level, are shown to have improved error distributions for the new auxiliary basis sets with negligible additional effort. The OptRI+ sets retain all of the desirable properties of the original OptRI, including the production of smooth potential energy surfaces, while maintaining a compact nature.

  16. Localized atomic basis set in the projector augmented wave method

    DEFF Research Database (Denmark)

    Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen

    2009-01-01

    We present an implementation of localized atomic-orbital basis sets in the projector augmented wave (PAW) formalism within the density-functional theory. The implementation in the real-space GPAW code provides a complementary basis set to the accurate but computationally more demanding grid...... representation. The possibility to switch seamlessly between the two representations implies that simulations employing the local basis can be fine tuned at the end of the calculation by switching to the grid, thereby combining the strength of the two representations for optimal performance. The implementation...... is tested by calculating atomization energies and equilibrium bulk properties of a variety of molecules and solids, comparing to the grid results. Finally, it is demonstrated how a grid-quality structure optimization can be performed with significantly reduced computational effort by switching between...

  17. Estimates of Quantum Chemical Molecular Characteristics for Complete Basis Sets

    Czech Academy of Sciences Publication Activity Database

    Zahradník, Rudolf; Šroubková, Libuše

    2003-01-01

    Roč. 43, 3/4 (2003), s. 243-265 ISSN 0021-2148 Institutional research plan: CEZ:AV0Z4040901 Keywords : ab initio calculations * basis set extrapolations * quantum chemical Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.722, year: 2003

  18. Pseudospectral sampling of Gaussian basis sets as a new avenue to high-dimensional quantum dynamics

    Science.gov (United States)

    Heaps, Charles

    This thesis presents a novel approach to modeling quantum molecular dynamics (QMD). Theoretical approaches to QMD are essential to understanding and predicting chemical reactivity and spectroscopy. We implement a method based on a trajectory-guided basis set. In this case, the nuclei are propagated in time using classical mechanics. Each nuclear configuration corresponds to a basis function in the quantum mechanical expansion. Using the time-dependent configurations as a basis set, we are able to evolve in time using relatively little information at each time step. We use a basis set of moving frozen (time-independent width) Gaussian functions that are well-known to provide a simple and efficient basis set for nuclear dynamics. We introduce a new perspective to trajectory-guided Gaussian basis sets based on existing numerical methods. The distinction is based on the Galerkin and collocation methods. In the former, the basis set is tested using basis functions, projecting the solution onto the functional space of the problem and requiring integration over all space. In the collocation method, the Dirac delta function tests the basis set, projecting the solution onto discrete points in space. This effectively reduces the integral evaluation to function evaluation, a fundamental characteristic of pseudospectral methods. We adopt this idea for independent trajectory-guided Gaussian basis functions. We investigate a series of anharmonic vibrational models describing dynamics in up to six dimensions. The pseudospectral sampling is found to be as accurate as full integral evaluation, while the former method is fully general and integration is only possible on very particular model potential energy surfaces. Nonadiabatic dynamics are also investigated in models of photodissociation and collinear triatomic vibronic coupling. Using Ehrenfest trajectories to guide the basis set on multiple surfaces, we observe convergence to exact results using hundreds of basis functions

  19. Molecular basis sets - a general similarity-based approach for representing chemical spaces.

    Science.gov (United States)

    Raghavendra, Akshay S; Maggiora, Gerald M

    2007-01-01

    A new method, based on generalized Fourier analysis, is described that utilizes the concept of "molecular basis sets" to represent chemical space within an abstract vector space. The basis vectors in this space are abstract molecular vectors. Inner products among the basis vectors are determined using an ansatz that associates molecular similarities between pairs of molecules with their corresponding inner products. Moreover, the fact that similarities between pairs of molecules are, in essentially all cases, nonzero implies that the abstract molecular basis vectors are nonorthogonal, but since the similarity of a molecule with itself is unity, the molecular vectors are normalized to unity. A symmetric orthogonalization procedure, which optimally preserves the character of the original set of molecular basis vectors, is used to construct appropriate orthonormal basis sets. Molecules can then be represented, in general, by sets of orthonormal "molecule-like" basis vectors within a proper Euclidean vector space. However, the dimension of the space can become quite large. Thus, the work presented here assesses the effect of basis set size on a number of properties including the average squared error and average norm of molecular vectors represented in the space-the results clearly show the expected reduction in average squared error and increase in average norm as the basis set size is increased. Several distance-based statistics are also considered. These include the distribution of distances and their differences with respect to basis sets of differing size and several comparative distance measures such as Spearman rank correlation and Kruscal stress. All of the measures show that, even though the dimension can be high, the chemical spaces they represent, nonetheless, behave in a well-controlled and reasonable manner. Other abstract vector spaces analogous to that described here can also be constructed providing that the appropriate inner products can be directly

  20. Basis set approach in the constrained interpolation profile method

    International Nuclear Information System (INIS)

    Utsumi, T.; Koga, J.; Yabe, T.; Ogata, Y.; Matsunaga, E.; Aoki, T.; Sekine, M.

    2003-07-01

    We propose a simple polynomial basis-set that is easily extendable to any desired higher-order accuracy. This method is based on the Constrained Interpolation Profile (CIP) method and the profile is chosen so that the subgrid scale solution approaches the real solution by the constraints from the spatial derivative of the original equation. Thus the solution even on the subgrid scale becomes consistent with the master equation. By increasing the order of the polynomial, this solution quickly converges. 3rd and 5th order polynomials are tested on the one-dimensional Schroedinger equation and are proved to give solutions a few orders of magnitude higher in accuracy than conventional methods for lower-lying eigenstates. (author)

  1. Basis set representation of the electron density at an atomic nucleus.

    Science.gov (United States)

    Mastalerz, Remigius; Widmark, Per-Olof; Roos, Björn Olof; Lindh, Roland; Reiher, Markus

    2010-10-14

    In this paper a detailed investigation of the basis set convergence for the calculation of relativistic electron densities at the position of finite-sized atomic nuclei is presented. The development of Gauss-type basis sets for such electron densities is reported and the effect of different contraction schemes is studied. Results are then presented for picture-change corrected calculations based on the Douglas-Kroll-Hess Hamiltonian. Moreover, the role of electron correlation, the effect of the numerical integration accuracy in density functional calculations, and the convergence with respect to the order of the Douglas-Kroll-Hess Hamiltonian and the picture-change-transformed property operator are studied.

  2. Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni

    KAUST Repository

    Shuttleworth, I.G.

    2015-11-01

    © 2015 Elsevier Ltd. All rights reserved. The effect of basis set superposition error (BSSE) and effective strategies for the minimisation have been investigated using the SIESTA-LCAO DFT package. Variation of the energy shift parameter ΔEPAO has been shown to reduce BSSE for bulk Au and Ni and across their oxygenated surfaces. Alternative strategies based on either the expansion or contraction of the basis set have been shown to be ineffective in reducing BSSE. Comparison of the binding energies for the surface systems obtained using LCAO were compared with BSSE-free plane wave energies.

  3. Basis set expansion for inverse problems in plasma diagnostic analysis

    Science.gov (United States)

    Jones, B.; Ruiz, C. L.

    2013-07-01

    A basis set expansion method [V. Dribinski, A. Ossadtchi, V. A. Mandelshtam, and H. Reisler, Rev. Sci. Instrum. 73, 2634 (2002)], 10.1063/1.1482156 is applied to recover physical information about plasma radiation sources from instrument data, which has been forward transformed due to the nature of the measurement technique. This method provides a general approach for inverse problems, and we discuss two specific examples relevant to diagnosing fast z pinches on the 20-25 MA Z machine [M. E. Savage, L. F. Bennett, D. E. Bliss, W. T. Clark, R. S. Coats, J. M. Elizondo, K. R. LeChien, H. C. Harjes, J. M. Lehr, J. E. Maenchen, D. H. McDaniel, M. F. Pasik, T. D. Pointon, A. C. Owen, D. B. Seidel, D. L. Smith, B. S. Stoltzfus, K. W. Struve, W. A. Stygar, L. K. Warne, J. R. Woodworth, C. W. Mendel, K. R. Prestwich, R. W. Shoup, D. L. Johnson, J. P. Corley, K. C. Hodge, T. C. Wagoner, and P. E. Wakeland, in Proceedings of the Pulsed Power Plasma Sciences Conference (IEEE, 2007), p. 979]. First, Abel inversion of time-gated, self-emission x-ray images from a wire array implosion is studied. Second, we present an approach for unfolding neutron time-of-flight measurements from a deuterium gas puff z pinch to recover information about emission time history and energy distribution. Through these examples, we discuss how noise in the measured data limits the practical resolution of the inversion, and how the method handles discontinuities in the source function and artifacts in the projected image. We add to the method a propagation of errors calculation for estimating uncertainties in the inverted solution.

  4. Hartree-Fock energy derivatives with respect to basis set exponents. Integral derivatives using Rys polynomials

    Science.gov (United States)

    Tonachini, Glauco; Schlegel, H. Bernhard

    1987-07-01

    The Rys polynomial method has been used to evaluate the first derivatives of the two electron integrals and the nuclear electron attraction integrals with respect to the Gaussian exponents. Gradients for the sulfur 6-31 G(d) basis set in HS-, H2S, H3S+, H2S2, H3CSH, H2CS, CS, H2SO, SO2 and SO3 have been evaluated to illustrate the effect of charge, multiple bonding and hypervalency on the basis set exponents.

  5. Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

    Science.gov (United States)

    Feller, David; Dixon, David A

    2018-03-08

    Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.

  6. On the performance of atomic natural orbital basis sets: A full configuration interaction study

    International Nuclear Information System (INIS)

    Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.

    1990-01-01

    The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets

  7. Incomplete basis-set problem. V. Application of CIBS to many-electron systems

    International Nuclear Information System (INIS)

    McDowell, K.; Lewis, L.

    1982-01-01

    Five versions of CIBS (corrections to an incomplete basis set) theory are used to compute first and second corrections to Roothaan--Hartree--Fock energies via expansion of a given basis set. Version one is an order by order perturbation approximation which neglects virtual orbitals; version two is a full CIBS expansion which neglects virtual orbitals; version three is an order by order perturbation approximation which includes virtual orbitals; version four is a full CIBS expansion which includes orthogonalization to virtual orbitals but neglects virtual orbital coupling terms; and version five is a full CIBS expansion with inclusion of coupling to virtual orbitals. Results are presented for the atomic and molecular systems He, Be, H 2 , LiH, Li 2 , and H 2 O. Version five is shown to produce a corrected Hartree--Fock energy which is essentially in agreement with a comparable SCF result using the same expanded basis set. Versions one through four yield varying degrees of agreement; however, it is evident that the effect of the virtual orbitals must be included. From the results, CIBS version five is shown to be a viable quantitative procedure which can be used to expand or to study the use of basis sets in quantum chemistry

  8. The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.

    Science.gov (United States)

    Sylvetsky, Nitai; Kesharwani, Manoj K; Martin, Jan M L

    2017-10-07

    We have developed a new basis set family, denoted as aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with additional diffuse functions on the higher angular momenta (i.e., additional d-h functions on non-hydrogen atoms and p-g on hydrogen atoms), optimized for the MP2-F12 energy of the relevant atomic anions. The new basis sets have been benchmarked against electron affinities of the first- and second-row atoms, the W4-17 dataset of total atomization energies, the S66 dataset of noncovalent interactions, the Benchmark Energy and Geometry Data Base water cluster subset, and the WATER23 subset of the GMTKN24 and GMTKN30 benchmark suites. The aVnZ-F12 basis sets displayed excellent performance, not just for electron affinities but also for noncovalent interaction energies of neutral and anionic species. Appropriate CABSs (complementary auxiliary basis sets) were explored for the S66 noncovalent interaction benchmark: between similar-sized basis sets, CABSs were found to be more transferable than generally assumed.

  9. CLOPW; a mixed basis set full potential electronic structure method

    NARCIS (Netherlands)

    Bekker, H.G.; Bekker, Hermie Gerhard

    1997-01-01

    This thesis is about the development of the full potental CLOPW package for electronic structure calculations. Chapter 1 provides the necessary background in the theory of solid state physics. It gives a short overview of the effective one particle model as commonly used in solid state physics. It

  10. Basis set recommendations for DFT calculations of gas-phase optical rotations at different wavelengths

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan; Jensen, Frank; Kongsted, Jacob

    2012-01-01

    of the optical rotation to the basis set limits for nine small or medium sized molecules, using basis sets developed specifically for DFT and magnetic properties (aug-pcS-n series). We suggest that assignment of absolute configuration by comparisons between theoretical and experimental optical rotations may...

  11. Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr

    Science.gov (United States)

    Feng, Rulin; Peterson, Kirk A.

    2017-08-01

    New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP0 for PuO2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal

  12. Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.

    Science.gov (United States)

    Feng, Rulin; Peterson, Kirk A

    2017-08-28

    New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO 2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP 0 for PuO 2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal

  13. Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

    Science.gov (United States)

    Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

    1990-01-01

    New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.

  14. New basis set for the prediction of the specific rotation in flexible biological molecules

    DEFF Research Database (Denmark)

    Baranowska-Łaczkowska, Angelika; Z. Łaczkowski, Krzysztof Z. Łaczkowski; Henriksen, Christian

    2016-01-01

    Using a novel method based on increasingly accurate calculations, we obtain the main conformers of a set of flexible molecules. We then employ the recently developed ORP basis set for calculating the specific rotation of the found set carried out at the TD-DFT level of theory. The results are com...

  15. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

    Science.gov (United States)

    Zaleśny, Robert; Baranowska-Łączkowska, Angelika; Medveď, Miroslav; Luis, Josep M

    2015-09-08

    In the present work, we perform an assessment of several property-oriented atomic basis sets in computing (hyper)polarizabilities with a focus on the vibrational contributions. Our analysis encompasses the Pol and LPol-ds basis sets of Sadlej and co-workers, the def2-SVPD and def2-TZVPD basis sets of Rappoport and Furche, and the ORP basis set of Baranowska-Łączkowska and Łączkowski. Additionally, we use the d-aug-cc-pVQZ and aug-cc-pVTZ basis sets of Dunning and co-workers to determine the reference estimates of the investigated electric properties for small- and medium-sized molecules, respectively. We combine these basis sets with ab initio post-Hartree-Fock quantum-chemistry approaches (including the coupled cluster method) to calculate electronic and nuclear relaxation (hyper)polarizabilities of carbon dioxide, formaldehyde, cis-diazene, and a medium-sized Schiff base. The primary finding of our study is that, among all studied property-oriented basis sets, only the def2-TZVPD and ORP basis sets yield nuclear relaxation (hyper)polarizabilities of small molecules with average absolute errors less than 5.5%. A similar accuracy for the nuclear relaxation (hyper)polarizabilites of the studied systems can also be reached using the aug-cc-pVDZ basis set (5.3%), although for more accurate calculations of vibrational contributions, i.e., average absolute errors less than 1%, the aug-cc-pVTZ basis set is recommended. It was also demonstrated that anharmonic contributions to first and second hyperpolarizabilities of a medium-sized Schiff base are particularly difficult to accurately predict at the correlated level using property-oriented basis sets. For instance, the value of the nuclear relaxation first hyperpolarizability computed at the MP2/def2-TZVPD level of theory is roughly 3 times larger than that determined using the aug-cc-pVTZ basis set. We link the failure of the def2-TZVPD basis set with the difficulties in predicting the first-order field

  16. The Convergence of CASSCF Energies to the Complete Basis Set Limit

    National Research Council Canada - National Science Library

    Petersson, George A; Malick, David K; Frisch, Michael J; Braunstein, Matthew

    2005-01-01

    Examination of the convergence of full valence CASSCF energies with expansion of the one-electron basis set reveals a pattern very similar to the convergence of single determinant Hartree-Fock energies...

  17. Near Hartree-Fock quality GTO basis sets for the second-row atoms

    Science.gov (United States)

    Partridge, Harry

    1987-01-01

    Energy optimized, near Hartree-Fock quality Gaussian basis sets ranging in size from (17s12p) to (20s15p) are presented for the ground states of the second-row atoms for Na(2P), Na(+), Na(-), Mg(3P), P(-), S(-), and Cl(-). In addition, optimized supplementary functions are given for the ground state basis sets to describe the negative ions, and the excited Na(2P) and Mg(3P) atomic states. The ratios of successive orbital exponents describing the inner part of the 1s and 2p orbitals are found to be nearly independent of both nuclear charge and basis set size. This provides a method of obtaining good starting estimates for other basis set optimizations.

  18. A Hartree–Fock study of the confined helium atom: Local and global basis set approaches

    Energy Technology Data Exchange (ETDEWEB)

    Young, Toby D., E-mail: tyoung@ippt.pan.pl [Zakład Metod Komputerowych, Instytut Podstawowych Prolemów Techniki Polskiej Akademia Nauk, ul. Pawińskiego 5b, 02-106 Warszawa (Poland); Vargas, Rubicelia [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico); Garza, Jorge, E-mail: jgo@xanum.uam.mx [Universidad Autónoma Metropolitana Iztapalapa, División de Ciencias Básicas e Ingenierías, Departamento de Química, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, D.F. C.P. 09340, México (Mexico)

    2016-02-15

    Two different basis set methods are used to calculate atomic energy within Hartree–Fock theory. The first is a local basis set approach using high-order real-space finite elements and the second is a global basis set approach using modified Slater-type orbitals. These two approaches are applied to the confined helium atom and are compared by calculating one- and two-electron contributions to the total energy. As a measure of the quality of the electron density, the cusp condition is analyzed. - Highlights: • Two different basis set methods for atomic Hartree–Fock theory. • Galerkin finite element method and modified Slater-type orbitals. • Confined atom model (helium) under small-to-extreme confinement radii. • Detailed analysis of the electron wave-function and the cusp condition.

  19. The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths

    DEFF Research Database (Denmark)

    Cabrera-Trujillo, Remigio; Sabin, John R.; Oddershede, Jens

    1999-01-01

    Fulfillment of the Bethe sum rule may be construed as a measure of basis set quality for atomic and molecular properties involving the generalized oscillator strength distribution. It is first shown that, in the case of a complete basis, the Bethe sum rule is fulfilled exactly in the random phase...

  20. Energy optimized Gaussian basis sets for the atoms T1 - Rn

    International Nuclear Information System (INIS)

    Faegri, K. Jr.

    1987-01-01

    Energy optimized Gaussian basis sets have been derived for the atoms Tl-Rn. Two sets are presented - a (20,16,10,6) set and a (22,17,13,8) set. The smallest sets yield atomic energies 107 to 123 mH above the numerical Hartree-Fock values, while the larger sets give energies 11 mH above the numerical results. Energy trends from the smaller sets indicate that reduced shielding by p-electrons may place a greater demand on the flexibility of d- and f-orbital description for the lighter elements of the series

  1. On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

    DEFF Research Database (Denmark)

    Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

    2013-01-01

    in the compound 0 intermediate of cytochrome P450cam, [Fe(OOH)(SH)(en)2]+, and one for the active site in coenzyme B12, [Co(NH3)(CN)(en)2]+. The Fermi contact, spin-dipolar and second order paramagnetic spin-orbit coupling contributions to the hyperne coupling tensors of the metal and the ligating ethylenediamine...... N atoms are calculated, and their dependence on the basis set for the remaining atoms are investigated. Core property basis sets are employed for the metals (aug-cc-pVTZ-Juc) and their equatorially coordinating N atoms (aug-cc-pVTZ-J or 6-31G-Juc analogues to the Pople style basis sets used...... the use of larger basis sets on the non-coupled atoms. If, however, an error of less than 0.5 MHz is sucient any basis set can be used for the non-coupled atoms. For the cobalt containing model system the 6-31G(2d) basis set generally gives results within 1% of the reference value....

  2. On the use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Sauer, Stephan P. A.; Milhøj, Birgitte O.

    2013-01-01

    in the compound 0 intermediate of cytochrome P450cam, [Fe(OOH)(SH)(en)2]+, and one for the active site in coenzyme B12, [Co(NH3)(CN)(en)2]+. The Fermi contact, spin-dipolar and second order paramagnetic spin-orbit coupling contributions to the hyperne coupling tensors of the metal and the ligating ethylenediamine...... N atoms are calculated, and their dependence on the basis set for the remaining atoms are investigated. Core property basis sets are employed for the metals (aug-cc-pVTZ-Juc) and their equatorially coordinating N atoms (aug-cc-pVTZ-J or 6-31G-Juc analogues to the Pople style basis sets used...... the use of larger basis sets on the non-coupled atoms. If, however, an error of less than 0.5 MHz is sucient any basis set can be used for the non-coupled atoms. For the cobalt containing model system the 6-31G(2d) basis set generally gives results within 1% of the reference value....

  3. On sets of vectors of a finite vector space in which every subset of basis size is a basis II

    OpenAIRE

    Ball, Simeon; De Beule, Jan

    2012-01-01

    This article contains a proof of the MDS conjecture for k a parts per thousand currency sign 2p - 2. That is, that if S is a set of vectors of in which every subset of S of size k is a basis, where q = p (h) , p is prime and q is not and k a parts per thousand currency sign 2p - 2, then |S| a parts per thousand currency sign q + 1. It also contains a short proof of the same fact for k a parts per thousand currency sign p, for all q.

  4. The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths

    DEFF Research Database (Denmark)

    Cabrera-Trujillo, Remigio; Sabin, John R.; Oddershede, Jens

    1999-01-01

    Fulfillment of the Bethe sum rule may be construed as a measure of basis set quality for atomic and molecular properties involving the generalized oscillator strength distribution. It is first shown that, in the case of a complete basis, the Bethe sum rule is fulfilled exactly in the random phase...... approximation. For an incomplete (computational) basis, some guidelines are developed for constructing higher angular momentum contributions to bases that will optimize the sum of generalized oscillator strengths and thus make the basis well suited for the calculation of stopping cross sections....

  5. The study of basis sets for the calculation of the structure and dynamics of the benzene-Kr complex

    Energy Technology Data Exchange (ETDEWEB)

    Shirkov, Leonid; Makarewicz, Jan, E-mail: jama@amu.edu.pl [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland)

    2015-05-28

    An ab initio intermolecular potential energy surface (PES) has been constructed for the benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been calculated at the coupled cluster level of theory with single, double, and perturbatively included triple excitations using different basis sets. As a result, a few analytical PESs of the complex have been determined. They allowed a prediction of the complex structure and its vibrational vdW states. The vibrational energy level pattern exhibits a distinct polyad structure. Comparison of the equilibrium structure, the dipole moment, and vibrational levels of BKr with their experimental counterparts has allowed us to design an optimal basis set composed of a small Dunning’s basis set for the benzene monomer, a larger effective core potential adapted basis set for Kr and additional midbond functions. Such a basis set yields vibrational energy levels that agree very well with the experimental ones as well as with those calculated from the available empirical PES derived from the microwave spectra of the BKr complex. The basis proposed can be applied to larger complexes including Kr because of a reasonable computational cost and accurate results.

  6. Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets

    DEFF Research Database (Denmark)

    Oddershede, Jens; Ogilvie, John F.; Sauer, Stephan P. A.

    2017-01-01

    Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases, but that the conver......Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases......, but that the convergence towards the final results with increasing excitation energies included in the sum over states is slower in the basis-set cases when we use the best basis. We argue also that this conclusion most likely holds also for larger atoms or molecules....

  7. Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms

    Science.gov (United States)

    Partridge, Harry

    1989-01-01

    Energy-optimized Gaussian-type-orbital (GTO) basis sets of accuracy approaching that of numerical Hartree-Fock computations are compiled for the elements of the first and third rows of the periodic table. The methods employed in calculating the sets are explained; the applicability of the sets to electronic-structure calculations is discussed; and the results are presented in tables and briefly characterized.

  8. A two-dimensional volatility basis set – Part 3: Prognostic modeling and NOx dependence

    Directory of Open Access Journals (Sweden)

    W. K. Chuang

    2016-01-01

    Full Text Available When NOx is introduced to organic emissions, aerosol production is sometimes, but not always, reduced. Under certain conditions, these interactions will instead increase aerosol concentrations. We expanded the two-dimensional volatility basis set (2D-VBS to include the effects of NOx on aerosol formation. This includes the formation of organonitrates, where the addition of a nitrate group contributes to a decrease of 2.5 orders of magnitude in volatility. With this refinement, we model outputs from experimental results, such as the atomic N : C ratio, organonitrate mass, and nitrate fragments in Aerosol Mass Spectrometer (AMS measurements. We also discuss the mathematical methods underlying the implementation of the 2D-VBS and provide the complete code in the Supplement. A developer version is available on Bitbucket, an online community repository.

  9. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

    International Nuclear Information System (INIS)

    Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

    2015-01-01

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF − and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN + , and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects

  10. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems.

    Science.gov (United States)

    Brorsen, Kurt R; Sirjoosingh, Andrew; Pak, Michael V; Hammes-Schiffer, Sharon

    2015-06-07

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF(-) and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN(+), and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.

  11. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields

    Science.gov (United States)

    Zhu, Wuming; Trickey, S. B.

    2017-12-01

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.

  12. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields.

    Science.gov (United States)

    Zhu, Wuming; Trickey, S B

    2017-12-28

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B

  13. Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)

    2013-07-15

    A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)

  14. Orthonormal curvature polynomials over a unit circle: basis set derived from curvatures of Zernike polynomials.

    Science.gov (United States)

    Zhao, Chunyu; Burge, James H

    2013-12-16

    Zernike polynomials are an orthonormal set of scalar functions over a circular domain, and are commonly used to represent wavefront phase or surface irregularity. In optical testing, slope or curvature of a surface or wavefront is sometimes measured instead, from which the surface or wavefront map is obtained. Previously we derived an orthonormal set of vector polynomials that fit to slope measurement data and yield the surface or wavefront map represented by Zernike polynomials. Here we define a 3-element curvature vector used to represent the second derivatives of a continuous surface, and derive a set of orthonormal curvature basis functions that are written in terms of Zernike polynomials. We call the new curvature functions the C polynomials. Closed form relations for the complete basis set are provided, and we show how to determine Zernike surface coefficients from the curvature data as represented by the C polynomials.

  15. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

    Czech Academy of Sciences Publication Activity Database

    Řezáč, J.; Hobza, Pavel

    2011-01-01

    Roč. 7, č. 3 (2011), s. 685-689 ISSN 1549-9618 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : DFT-SAPT * interaction Energies * scaling to complete basis set limit Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.215, year: 2011

  16. An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

    Energy Technology Data Exchange (ETDEWEB)

    Borges, A.; Solomon, G. C. [Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark)

    2016-05-21

    Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and −π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.

  17. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter. Keywords. Hydrogen bond; intramolecular; relaxed force constant; normal mode analysis; bond strength parameter. 1. Introduction. The advantages of the compliance constants (the inverse.

  18. Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

    Czech Academy of Sciences Publication Activity Database

    Csonka, G. I.; Kaminský, Jakub

    2011-01-01

    Roč. 7, č. 4 (2011), s. 988-997 ISSN 1549-9618 Institutional research plan: CEZ:AV0Z40550506 Keywords : MP2 * basis set extrapolation * saccharides Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.215, year: 2011

  19. On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

    DEFF Research Database (Denmark)

    Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

    2013-01-01

    The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c...

  20. An editor for the maintenance and use of a bank of contracted Gaussian basis set functions

    International Nuclear Information System (INIS)

    Taurian, O.E.

    1984-01-01

    A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)

  1. Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-05-21

    With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.

  2. Method and basis set investigation for trans-platinum(II oxime complex

    Directory of Open Access Journals (Sweden)

    Koray SAYIN

    2014-10-01

    Full Text Available The optimized molecular structure and stretching frequencies of platinum(II oxime complex were investigated with HF, MP2, pure and hybrid DFT methods. CEP-4G, CEP-31G, CEP-121G, LANL2DZ, LANL2MB and SDD basis sets were used in calculations. Correlation coefficients of bond lengths and angles, computational job cpu time and stretching frequencies were used to determine the best method and basis set. The results show that HF/CEP-31G is the best level for bond lengths, angles and computational job cpu time.  BPW91/CEP-31G is the best levels for stretching frequencies of oximato-bridged Pt(II complex.

  3. Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations.

    Science.gov (United States)

    Hellweg, Arnim; Rappoport, Dmitrij

    2015-01-14

    We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.

  4. Symmetry-adapted basis sets automatic generation for problems in chemistry and physics

    CERN Document Server

    Avery, John Scales; Avery, James Emil

    2012-01-01

    In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed

  5. MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface

    International Nuclear Information System (INIS)

    Wright, J.S.; Kruus, E.

    1986-01-01

    The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height

  6. Comparison study of finite element and basis set methods for finite size scaling

    International Nuclear Information System (INIS)

    Antillon, Edwin; Moy, Winton; Wei Qi; Kais, Sabre

    2009-01-01

    We compare two methods of obtaining critical parameters for a quantum Hamiltonian using a finite size scaling approach. A finite element and basis set method were used in conjunction with the finite size scaling to obtain the critical parameters for the Hulthen potential. The critical parameters obtained analytically were the coupling constant λ c =(1/2), the critical exponents for the energy α=2 and for the 'correlation length 'ν=1. The extrapolated results for finite size scaling with the basis set method are λ c =0.499 99, α=1.9960, and ν=0.999 10. The results for the finite element solutions are λ c =0.501 84, α=1.999 93, and ν=1.000 79 for the linear interpolation and λ c =0.500 00, α=2.000 11, and ν=1.000 32 for the Hermite interpolation. The results for each method compare very well with the analytical results obtained for the Hulthen potential. However, the finite element method is easier to implement and may be combined with ab initio and density functional theory to obtain quantum critical parameters for more complex systems.

  7. Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

    Science.gov (United States)

    Mitin, Alexander V

    2013-09-05

    The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

  8. 42 CFR 415.170 - Conditions for payment on a fee schedule basis for physician services in a teaching setting.

    Science.gov (United States)

    2010-10-01

    ... physician services in a teaching setting. 415.170 Section 415.170 Public Health CENTERS FOR MEDICARE... BY PHYSICIANS IN PROVIDERS, SUPERVISING PHYSICIANS IN TEACHING SETTINGS, AND RESIDENTS IN CERTAIN SETTINGS Physician Services in Teaching Settings § 415.170 Conditions for payment on a fee schedule basis...

  9. Evaluation of European air quality modelled by CAMx including the volatility basis set scheme

    Directory of Open Access Journals (Sweden)

    G. Ciarelli

    2016-08-01

    Full Text Available Four periods of EMEP (European Monitoring and Evaluation Programme intensive measurement campaigns (June 2006, January 2007, September–October 2008 and February–March 2009 were modelled using the regional air quality model CAMx with VBS (volatility basis set approach for the first time in Europe within the framework of the EURODELTA-III model intercomparison exercise. More detailed analysis and sensitivity tests were performed for the period of February–March 2009 and June 2006 to investigate the uncertainties in emissions as well as to improve the modelling of organic aerosol (OA. Model performance for selected gas phase species and PM2.5 was evaluated using the European air quality database AirBase. Sulfur dioxide (SO2 and ozone (O3 were found to be overestimated for all the four periods, with O3 having the largest mean bias during June 2006 and January–February 2007 periods (8.9 pbb and 12.3 ppb mean biases respectively. In contrast, nitrogen dioxide (NO2 and carbon monoxide (CO were found to be underestimated for all the four periods. CAMx reproduced both total concentrations and monthly variations of PM2.5 for all the four periods with average biases ranging from −2.1 to 1.0 µg m−3. Comparisons with AMS (aerosol mass spectrometer measurements at different sites in Europe during February–March 2009 showed that in general the model overpredicts the inorganic aerosol fraction and underpredicts the organic one, such that the good agreement for PM2.5 is partly due to compensation of errors. The effect of the choice of VBS scheme on OA was investigated as well. Two sensitivity tests with volatility distributions based on previous chamber and ambient measurements data were performed. For February–March 2009 the chamber case reduced the total OA concentrations by about 42 % on average. In contrast, a test based on ambient measurement data increased OA concentrations by about 42 % for the same period bringing

  10. Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

    Science.gov (United States)

    Pemmaraju, C. D.; Vila, F. D.; Kas, J. J.; Sato, S. A.; Rehr, J. J.; Yabana, K.; Prendergast, David

    2018-05-01

    The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT). In this article, we discuss the implementation of the velocity-gauge RT-TDDFT equations for electron dynamics within a linear combination of atomic orbitals (LCAO) basis set framework. Numerical results obtained from our LCAO implementation, for the electronic response of periodic systems to both weak and intense laser fields, are compared to those obtained from established real-space grid and Full-Potential Linearized Augmented Planewave approaches. Potential applications of the LCAO based scheme in the context of extreme ultra-violet and soft X-ray spectroscopies involving core-electronic excitations are discussed.

  11. First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach

    Science.gov (United States)

    Smidstrup, Søren; Stradi, Daniele; Wellendorff, Jess; Khomyakov, Petr A.; Vej-Hansen, Ulrik G.; Lee, Maeng-Eun; Ghosh, Tushar; Jónsson, Elvar; Jónsson, Hannes; Stokbro, Kurt

    2017-11-01

    We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the system is described as a truly semi-infinite solid with a surface region coupled to an electron reservoir, thereby overcoming several fundamental drawbacks of the traditional slab approach. The versatility of the method is demonstrated with several applications to surface physics and chemistry problems that are inherently difficult to address properly with the slab method, including metal work function calculations, band alignment in thin-film semiconductor heterostructures, surface states in metals and topological insulators, and surfaces in external electrical fields. Results obtained with the surface Green's-function method are compared to experimental measurements and slab calculations to demonstrate the accuracy of the approach.

  12. Near Hartree-Fock quality Gaussian type orbital basis sets for the first- and third-row atoms

    Science.gov (United States)

    Partridge, Harry

    1989-01-01

    Energy-optimized, near Hartree-Fock (NHF) quality Gaussian type orbital (GTO) basis sets are reported for the second-row (Li to Ne) and fourth-row (K to Kr) atoms. The most accurate basis sets reported for the second row are (18s 13p) sets which are with 4 micro E(H) of the numerical Hartree-Fock (NHF) results. For B to Ne basis sets with more than 15s functions are quadruple zeta in the valence space. For the second-row transition metal atoms the (20s 12p 9d) basis sets are triple zeta in the valence space and are approximately equivalent to Clementi and Roetti's accurate Slater type orbital sets. Supplementing the (20s 12p 9d) basis sets optimized for the lowest state with the 4s(2)3d(n) occupation with a diffuse d function gives self-consistent-field energy separations to the 4s(1)3d(n+1) and 3d(n+2) states which are within 100 micro E(H) of the NHF results. The most accurate basis sets for the transition metal atoms are with 30 micro E(H) of the NHF results. In addition, energy optimized sets are reported for He(3P), Li(2P) and Be(3P).

  13. Dynamic sensitivity analysis of long running landslide models through basis set expansion and meta-modelling

    Science.gov (United States)

    Rohmer, Jeremy

    2016-04-01

    Predicting the temporal evolution of landslides is typically supported by numerical modelling. Dynamic sensitivity analysis aims at assessing the influence of the landslide properties on the time-dependent predictions (e.g., time series of landslide displacements). Yet two major difficulties arise: 1. Global sensitivity analysis require running the landslide model a high number of times (> 1000), which may become impracticable when the landslide model has a high computation time cost (> several hours); 2. Landslide model outputs are not scalar, but function of time, i.e. they are n-dimensional vectors with n usually ranging from 100 to 1000. In this article, I explore the use of a basis set expansion, such as principal component analysis, to reduce the output dimensionality to a few components, each of them being interpreted as a dominant mode of variation in the overall structure of the temporal evolution. The computationally intensive calculation of the Sobol' indices for each of these components are then achieved through meta-modelling, i.e. by replacing the landslide model by a "costless-to-evaluate" approximation (e.g., a projection pursuit regression model). The methodology combining "basis set expansion - meta-model - Sobol' indices" is then applied to the La Frasse landslide to investigate the dynamic sensitivity analysis of the surface horizontal displacements to the slip surface properties during the pore pressure changes. I show how to extract information on the sensitivity of each main modes of temporal behaviour using a limited number (a few tens) of long running simulations. In particular, I identify the parameters, which trigger the occurrence of a turning point marking a shift between a regime of low values of landslide displacements and one of high values.

  14. First-Principles Calculation of Spin Transport in Magnetic Nanowire Using Green's Function Method with Localized Basis Set

    National Research Council Canada - National Science Library

    Kobayashi, Nobuhiko; Ozaki, Taisuke; Hirose, Kenji

    2006-01-01

    .... The electronic states are calculated using a numerical pseudo atomic orbital basis set in the frame work of the density functional theory, and the conductance is calculated using the Green's function method...

  15. Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets

    International Nuclear Information System (INIS)

    Holden, Zachary C.; Richard, Ryan M.; Herbert, John M.

    2013-01-01

    An implementation of Ewald summation for use in mixed quantum mechanics/molecular mechanics (QM/MM) calculations is presented, which builds upon previous work by others that was limited to semi-empirical electronic structure for the QM region. Unlike previous work, our implementation describes the wave function's periodic images using “ChElPG” atomic charges, which are determined by fitting to the QM electrostatic potential evaluated on a real-space grid. This implementation is stable even for large Gaussian basis sets with diffuse exponents, and is thus appropriate when the QM region is described by a correlated wave function. Derivatives of the ChElPG charges with respect to the QM density matrix are a potentially serious bottleneck in this approach, so we introduce a ChElPG algorithm based on atom-centered Lebedev grids. The ChElPG charges thus obtained exhibit good rotational invariance even for sparse grids, enabling significant cost savings. Detailed analysis of the optimal choice of user-selected Ewald parameters, as well as timing breakdowns, is presented

  16. Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets.

    Science.gov (United States)

    Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2011-06-02

    Simple, yet predictive bonding models are essential achievements of chemistry. In the solid state, in particular, they often appear in the form of visual bonding indicators. Because the latter require the crystal orbitals to be constructed from local basis sets, the application of the most popular density-functional theory codes (namely, those based on plane waves and pseudopotentials) appears as being ill-fitted to retrieve the chemical bonding information. In this paper, we describe a way to re-extract Hamilton-weighted populations from plane-wave electronic-structure calculations to develop a tool analogous to the familiar crystal orbital Hamilton population (COHP) method. We derive the new technique, dubbed "projected COHP" (pCOHP), and demonstrate its viability using examples of covalent, ionic, and metallic crystals (diamond, GaAs, CsCl, and Na). For the first time, this chemical bonding information is directly extracted from the results of plane-wave calculations. © 2011 American Chemical Society

  17. Design basis reconstitution for an effective design control program

    International Nuclear Information System (INIS)

    Banerjee, A.K.

    1987-01-01

    Configuration management is a new buzz word in the nuclear power industry. Whatever its definition, everyone agrees that the configuration of a nuclear power plant must be managed effectively. In layman's terms, configuration management means that a plant must be built, operated, and maintained in a manner consistent with its design basis. Thus, control of the design basis is the most important element in any configuration management program. Until recently, the US Nuclear Regulatory Commission's (NRC's) review of design basis focused on the plants that were about to get operating licenses. However, incidents at a few operating nuclear plants and NRC inspections (Safety System Functional Inspection and Safety System Outage Modification Inspection) have indicated weaknesses in older operating plant design basis documentation and design change control programs. Thus, reconstitution of plant design basis has become an important issue. This paper presents the major element of a design basis reconstitution program, which can be an immense undertaking for some of the older operating plants

  18. The Raman Spectrum of the Squarate (C4O4-2 Anion: An Ab Initio Basis Set Dependence Study

    Directory of Open Access Journals (Sweden)

    Miranda Sandro G. de

    2002-01-01

    Full Text Available The Raman excitation profile of the squarate anion, C4O4-2 , was calculated using ab initio methods at the Hartree-Fock using Linear Response Theory (LRT for six excitation frequencies: 632.5, 514.5, 488.0, 457.9, 363.8 and 337.1 nm. Five basis set functions (6-31G*, 6-31+G*, cc-pVDZ, aug-cc-pVDZ and Sadlej's polarizability basis set were investigated aiming to evaluate the performance of the 6-31G* set for numerical convergence and computational cost in relation to the larger basis sets. All basis sets reproduce the main spectroscopic features of the Raman spectrum of this anion for the excitation interval investigated. The 6-31G* basis set presented, on average, the same accuracy of numerical results as the larger sets but at a fraction of the computational cost showing that it is suitable for the theoretical investigation of the squarate dianion and its complexes and derivatives.

  19. Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations.

    Science.gov (United States)

    Laun, Joachim; Vilela Oliveira, Daniel; Bredow, Thomas

    2018-02-22

    Consistent basis sets of double- and triple-zeta valence with polarization quality for the fifth period have been derived for periodic quantum-chemical solid-state calculations with the crystalline-orbital program CRYSTAL. They are an extension of the pob-TZVP basis sets, and are based on the full-relativistic effective core potentials (ECPs) of the Stuttgart/Cologne group and on the def2-SVP and def2-TZVP valence basis of the Ahlrichs group. We optimized orbital exponents and contraction coefficients to supply robust and stable self-consistent field (SCF) convergence for a wide range of different compounds. The computed crystal structures are compared to those obtained with standard basis sets available from the CRYSTAL basis set database. For the applied hybrid density functional PW1PW, the average deviations of calculated lattice constants from experimental references are smaller with pob-DZVP and pob-TZVP than with standard basis sets. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  20. Quantum mechanic study of basis set effect on NMR chemical ...

    African Journals Online (AJOL)

    Amino Acids can be defined separately by the unique characteristic rendered to each amino acid molecule as a result of the varying reactive abilities of their side chains. Structural analysis is performed using ab initio calculations in GAUSSIAN 98 program. The behavior of every atom as well as that of molecular fragments ...

  1. Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulation.

    Science.gov (United States)

    Niklasson, Anders M N; Weber, Valéry

    2007-08-14

    Linear scaling density matrix perturbation theory [A. M. N. Niklasson and M. Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is extended to basis-set-dependent quantum response calculations for a nonorthogonal basis set representation. The generalization is achieved by a perturbation-dependent congruence transform, derived from the factorization of the inverse overlap matrix, which transforms the generalized eigenvalue problem to an orthogonal, standard form. With this orthogonalization transform the basis-set-dependent perturbation in the overlap matrix is included in the orthogonalized Hamiltonian, which is expanded in orders of the perturbation. In this way density matrix perturbation theory developed for an orthogonal representation can be applied also to basis-set-dependent response calculations. The method offers an alternative to the previous solution of the basis-set-dependent response problem, based on a nonorthogonal generalization of the density matrix perturbation theory, where the calculations are performed within a purely nonorthogonal setting [A. M. N. Niklasson et al., J. Chem. Phys. 123, 44107 (2005)].

  2. Expressing clinical data sets with openEHR archetypes: a solid basis for ubiquitous computing.

    Science.gov (United States)

    Garde, Sebastian; Hovenga, Evelyn; Buck, Jasmin; Knaup, Petra

    2007-12-01

    The purpose of this paper is to analyse the feasibility and usefulness of expressing clinical data sets (CDSs) as openEHR archetypes. For this, we present an approach to transform CDS into archetypes, and outline typical problems with CDS and analyse whether some of these problems can be overcome by the use of archetypes. Literature review and analysis of a selection of existing Australian, German, other European and international CDSs; transfer of a CDS for Paediatric Oncology into openEHR archetypes; implementation of CDSs in application systems. To explore the feasibility of expressing CDS as archetypes an approach to transform existing CDSs into archetypes is presented in this paper. In case of the Paediatric Oncology CDS (which consists of 260 data items) this lead to the definition of 48 openEHR archetypes. To analyse the usefulness of expressing CDS as archetypes, we identified nine problems with CDS that currently remain unsolved without a common model underpinning the CDS. Typical problems include incompatible basic data types and overlapping and incompatible definitions of clinical content. A solution to most of these problems based on openEHR archetypes is motivated. With regard to integrity constraints, further research is required. While openEHR cannot overcome all barriers to Ubiquitous Computing, it can provide the common basis for ubiquitous presence of meaningful and computer-processable knowledge and information, which we believe is a basic requirement for Ubiquitous Computing. Expressing CDSs as openEHR archetypes is feasible and advantageous as it fosters semantic interoperability, supports ubiquitous computing, and helps to develop archetypes that are arguably of better quality than the original CDS.

  3. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    It has been shown earlier1 that the relaxed force constants (RFCs) could be used as a measure of bond strength only when the bonds form a part of the complete valence internal coordinates (VIC) basis. However, if the bond is not a part of the complete VIC basis, its RFC is not necessarily a measure of bond strength.

  4. Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems.

    Science.gov (United States)

    Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A

    2018-02-13

    We present a computational methodology based on atom-centered potentials (ACPs) for the efficient and accurate structural modeling of large molecular systems. ACPs are atom-centered one-electron potentials that have the same functional form as effective-core potentials. In recent works, we showed that ACPs can be used to produce a correction to the ground-state wave function and electronic energy to alleviate shortcomings in the underlying model chemistry. In this work, we present ACPs for H, C, N, and O atoms that are specifically designed to predict accurate non-covalent binding energies and inter- and intramolecular geometries when combined with dispersion-corrected Hartree-Fock (HF-D3) and a minimal basis-set (scaled MINI or MINIs). For example, the combined HF-D3/MINIs-ACP method demonstrates excellent performance, with mean absolute errors of 0.36 and 0.28 kcal/mol for the S22x5 and S66x8 benchmark sets, respectively, relative to highly correlated complete-basis-set data. The application of ACPs results in a significant decrease in error compared to uncorrected HF-D3/MINIs for all benchmark sets examined. In addition, HF-D3/MINIs-ACP, has a cost only slightly higher than a minimal-basis-set HF calculation and can be used with any electronic structure program for molecular quantum chemistry that uses Gaussian basis sets and effective-core potentials.

  5. Pros and cons of using the informed basis set to account for hemodynamic response variability with developmental data

    Directory of Open Access Journals (Sweden)

    Fabien Cignetti

    2016-07-01

    Full Text Available Conventional analysis of functional magnetic resonance imaging (fMRI data using the general linear model (GLM employs a neural model convolved with a canonical hemodynamic response function (HRF peaking 5s after stimulation. Incorporation of a further basis function, namely the canonical HRF temporal derivative, accounts for delays in the hemodynamic response to neural activity. A population that may benefit from this flexible approach is children whose hemodynamic response is not yet mature. Here, we examined the effects of using the set based on the canonical HRF plus its temporal derivative on both first- and second-level GLM analyses, through simulations and using developmental data (an fMRI dataset on proprioceptive mapping in children and adults. Simulations of delayed fMRI first-level data emphasized the benefit of carrying forward to the second-level a derivative boost that combines derivative and nonderivative beta estimates. In the experimental data, second-level analysis using a paired t-test showed increased mean amplitude estimate (i.e., increased group contrast mean in several brain regions related to proprioceptive processing when using the derivative boost compared to using only the nonderivative term. This was true especially in children. However, carrying forward to the second-level the individual derivative boosts had adverse consequences on random-effects analysis that implemented one-sample t-test, yielding increased between-subject variance, thus affecting group-level statistic. Boosted data also presented a lower level of smoothness that had implication for the detection of group average activation. Imposing soft constraints on the derivative boost by limiting the time-to-peak range of the modelled response within a specified range (i.e., 4-6s mitigated these issues. These findings support the notion that there are pros and cons to using the informed basis set with developmental data.

  6. Potential and matrix elements of the hamiltonian of internal rotation in molecules in the basis set of Mathieu functions

    Science.gov (United States)

    Turovtsev, V. V.; Orlov, Yu. D.; Tsirulev, A. N.

    2015-08-01

    The advantages of the orthonormal basis set of 2π-periodic Mathieu functions compared to the trigonometric basis set in calculations of torsional states of molecules are substantiated. Explicit expressions are derived for calculating the Hamiltonian matrix elements of a one-dimensional torsional Schrödinger equation with a periodic potential of the general form in the basis set of Mathieu functions. It is shown that variation of a parameter of Mathieu functions allows the rotation potential and the structural function to be approximated with a good accuracy by a small number of series terms. The conditions for the best choice of this parameter are specified, and approximations are obtained for torsional potentials of n-butane upon rotation about the central C-C bond and of its univalent radical n-butyl C2H5C·H2 upon rotation of the C·H2 group. All algorithms are implemented in the Maple package.

  7. Ab initio localized basis set study of structural parameters and elastic properties of HfO{sub 2} polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Caravaca, M A [Facultad de Ingenieria, Universidad Nacional del Nordeste, Avenida Las Heras 727, 3500-Resistencia (Argentina); Casali, R A [Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Avenida Libertad, 5600-Corrientes (Argentina)

    2005-09-21

    The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2{sub 1}/c, Pbca, Pnma, Fm3m, P4{sub 2}nmc and Pa3 phases of HfO{sub 2}. Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2{sub 1}/c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2{sub 1}/c {yields} Pbca and Pbca {yields} Pnma, respectively, in accordance with different high pressure experimental values.

  8. Ab initio localized basis set study of structural parameters and elastic properties of HfO2 polymorphs

    International Nuclear Information System (INIS)

    Caravaca, M A; Casali, R A

    2005-01-01

    The SIESTA approach based on pseudopotentials and a localized basis set is used to calculate the electronic, elastic and equilibrium properties of P 2 1 /c, Pbca, Pnma, Fm3m, P4 2 nmc and Pa3 phases of HfO 2 . Using separable Troullier-Martins norm-conserving pseudopotentials which include partial core corrections for Hf, we tested important physical properties as a function of the basis set size, grid size and cut-off ratio of the pseudo-atomic orbitals (PAOs). We found that calculations in this oxide with the LDA approach and using a minimal basis set (simple zeta, SZ) improve calculated phase transition pressures with respect to the double-zeta basis set and LDA (DZ-LDA), and show similar accuracy to that determined with the PPPW and GGA approach. Still, the equilibrium volumes and structural properties calculated with SZ-LDA compare better with experiments than the GGA approach. The bandgaps and elastic and structural properties calculated with DZ-LDA are accurate in agreement with previous state of the art ab initio calculations and experimental evidence and cannot be improved with a polarized basis set. These calculated properties show low sensitivity to the PAO localization parameter range between 40 and 100 meV. However, this is not true for the relative energy, which improves upon decrease of the mentioned parameter. We found a non-linear behaviour in the lattice parameters with pressure in the P 2 1 /c phase, showing a discontinuity of the derivative of the a lattice parameter with respect to external pressure, as found in experiments. The common enthalpy values calculated with the minimal basis set give pressure transitions of 3.3 and 10.8?GPa for P2 1 /c → Pbca and Pbca → Pnma, respectively, in accordance with different high pressure experimental values

  9. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    Science.gov (United States)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  10. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  11. Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set.

    Science.gov (United States)

    Oberhofer, Harald; Blumberger, Jochen

    2010-12-28

    We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q(-)) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ()(1/2)=6.7 mH, is significantly higher than the value obtained for the minimum energy structure, |H(ab)|=3.8 mH. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q(-) in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

  12. Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values

    Czech Academy of Sciences Publication Activity Database

    Zahradník, Rudolf; Šroubková, Libuše

    2005-01-01

    Roč. 104, č. 1 (2005), s. 52-63 ISSN 0020-7608 Institutional research plan: CEZ:AV0Z40400503 Keywords : intermolecular complexes * van der Waals species * ab initio calculations * complete basis set values * estimates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.192, year: 2005

  13. Design of cognitive engine for cognitive radio based on the rough sets and radial basis function neural network

    Science.gov (United States)

    Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli

    2013-03-01

    Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.

  14. Typed Sets as a Basis for Object-Oriented Database Schemas

    NARCIS (Netherlands)

    Balsters, H.; de By, R.A.; Zicari, R.

    The object-oriented data model TM is a language that is based on the formal theory of FM, a typed language with object-oriented features such as attributes and methods in the presence of subtyping. The general (typed) set constructs of FM allow one to deal with (database) constraints in TM. The

  15. Many-Body Energy Decomposition with Basis Set Superposition Error Corrections.

    Science.gov (United States)

    Mayer, István; Bakó, Imre

    2017-05-09

    The problem of performing many-body decompositions of energy is considered in the case when BSSE corrections are also performed. It is discussed that the two different schemes that have been proposed go back to the two different interpretations of the original Boys-Bernardi counterpoise correction scheme. It is argued that from the physical point of view the "hierarchical" scheme of Valiron and Mayer should be preferred and not the scheme recently discussed by Ouyang and Bettens, because it permits the energy of the individual monomers and all the two-body, three-body, etc. energy components to be free of unphysical dependence on the arrangement (basis functions) of other subsystems in the cluster.

  16. Investigation of confined hydrogen atom in spherical cavity, using B-splines basis set

    Directory of Open Access Journals (Sweden)

    M Barezi

    2011-03-01

    Full Text Available Studying confined quantum systems (CQS is very important in nano technology. One of the basic CQS is a hydrogen atom confined in spherical cavity. In this article, eigenenergies and eigenfunctions of hydrogen atom in spherical cavity are calculated, using linear variational method. B-splines are used as basis functions, which can easily construct the trial wave functions with appropriate boundary conditions. The main characteristics of B-spline are its high localization and its flexibility. Besides, these functions have numerical stability and are able to spend high volume of calculation with good accuracy. The energy levels as function of cavity radius are analyzed. To check the validity and efficiency of the proposed method, extensive convergence test of eigenenergies in different cavity sizes has been carried out.

  17. The prefabricated building risk decision research of DM technology on the basis of Rough Set

    Science.gov (United States)

    Guo, Z. L.; Zhang, W. B.; Ma, L. H.

    2017-08-01

    With the resources crises and more serious pollution, the green building has been strongly advocated by most countries and become a new building style in the construction field. Compared with traditional building, the prefabricated building has its own irreplaceable advantages but is influenced by many uncertainties. So far, a majority of scholars have been studying based on qualitative researches from all of the word. This paper profoundly expounds its significance about the prefabricated building. On the premise of the existing research methods, combined with rough set theory, this paper redefines the factors which affect the prefabricated building risk. Moreover, it quantifies risk factors and establish an expert knowledge base through assessing. And then reduced risk factors about the redundant attributes and attribute values, finally form the simplest decision rule. This simplest decision rule, which is based on the DM technology of rough set theory, provides prefabricated building with a controllable new decision-making method.

  18. Prolapse-free relativistic Gaussian basis sets for the superheavy elements up to Uuo (Z = 118) and Lr (Z = 103)

    International Nuclear Information System (INIS)

    Macedo, Luiz Guilherme M de; Borin, Antonio Carlos; Silva, Alberico B.F. da

    2007-01-01

    Prolapse-free basis sets suitable for four-component relativistic quantum chemical calculations are presented for the superheavy elements up to 118 Uuo ( 104 Rf, 105 Db, 106 Sg, 107 Bh, 108 Hs, 109 Mt, 110 Ds, 111 Rg, 112 Uub, 113 Uut, 114 Uuq, 115 Uup, 116 Uuh, 117 Uus, 118 Uuo) and 103 Lr. These basis sets were optimized by minimizing the absolute values of the energy difference between the Dirac-Fock-Roothaan total energy and the corresponding numerical value at a milli-Hartree order of magnitude, resulting in a good balance between cost and accuracy. Parameters for generating exponents and new numerical data for some superheavy elements are also presented

  19. Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules

    Czech Academy of Sciences Publication Activity Database

    Kupka, T.; Nieradka, M.; Stachów, M.; Pluta, T.; Nowak, P.; Kjaer, H.; Kongsted, J.; Kaminský, Jakub

    2012-01-01

    Roč. 116, č. 14 (2012), s. 3728-3738 ISSN 1089-5639 R&D Projects: GA ČR GPP208/10/P356 Institutional research plan: CEZ:AV0Z40550506 Keywords : consistent basis-sets * density-functional methods * ab-inition calculations * polarization propagator approximation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012

  20. On the Nature of Bonding in Lone Pair ...pi-Electron Complexes: CCSD(T)/Complete Basis Set Limit Calculations

    Czech Academy of Sciences Publication Activity Database

    Ran, Jiong; Hobza, Pavel

    2009-01-01

    Roč. 5, č. 4 (2009), s. 1180-1185 ISSN 1549-9618 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550510 Institutional research plan: CEZ:AV0Z40550506 Keywords : lone pair...pi-electron complexes * nature of bonding * CCSD(T)/ complete basis set limit calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.804, year: 2009

  1. Lithium photoionization cross-section and dynamic polarizability using square integrable basis sets and correlated wave functions

    International Nuclear Information System (INIS)

    Hollauer, E.; Nascimento, M.A.C.

    1985-01-01

    The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt

  2. Three-body problem in quantum mechanics: Hyperspherical elliptic coordinates and harmonic basis sets

    International Nuclear Information System (INIS)

    Aquilanti, Vincenzo; Tonzani, Stefano

    2004-01-01

    Elliptic coordinates within the hyperspherical formalism for three-body problems were proposed some time ago [V. Aquilanti, S. Cavalli, and G. Grossi, J. Chem. Phys. 85, 1362 (1986)] and recently have also found application, for example, in chemical reaction theory [see O. I. Tolstikhin and H. Nakamura, J. Chem. Phys. 108, 8899 (1998)]. Here we consider their role in providing a smooth transition between the known 'symmetric' and 'asymmetric' parametrizations, and focus on the corresponding hyperspherical harmonics. These harmonics, which will be called hyperspherical elliptic, involve products of two associated Lame polynomials. We will provide an expansion of these new sets in a finite series of standard hyperspherical harmonics, producing a powerful tool for future applications in the field of scattering and bound-state quantum-mechanical three-body problems

  3. Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

    Science.gov (United States)

    Krogel, Jaron T.; Reboredo, Fernando A.

    2018-01-01

    Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

  4. On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in water

    DEFF Research Database (Denmark)

    Faber, Rasmus; Buczek, Aneta; Kupka, Teobald

    2017-01-01

    The method and basis set dependence of zero-point vibrational corrections (ZPVC) to NMR shielding constants and anisotropies has been investigated using water as a test system. A systematic comparison has been made using the Hartree-Fock (HF), second-order Møller-Plesset perturbation theory (MP2...... convergence of the vibrational corrections is not monotonic and that very large basis sets are needed before a reasonable extrapolation to the basis set limit can be performed. Furthermore, our results suggest that coupled cluster methods and a decent basis set are required before the error of the electronic...

  5. A quantum molecular similarity analysis of changes in molecular electron density caused by basis set flotation and electric field application

    Science.gov (United States)

    Simon, Sílvia; Duran, Miquel

    1997-08-01

    Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed.

  6. Globally Accurate Potential Energy Surface for HCS(A2A'') by Extrapolation to Complete Basis Set Limit.

    Science.gov (United States)

    Zhang, Lu-Lu; Song, Yu-Zhi; Gao, Shou-Bao; Meng, Qing-Tian

    2018-04-16

    A global potential energy surface (PES) representation of the C( 3 P) + SH(X 2 ∏) → H( 2 S) + CS(a 3 ∏) system is developed by fitting a wealth of accurate ab initio energies calculated at the multireference configuration interaction level using aug-cc-pVQZ and aug-cc-pV5Z basis sets via extrapolation to the complete basis set limit. The topographical features of the present PES are examined in detail and found to be in good agreement with previous calculations available in the literature. By utilizing the PES of HCS(A2A''), the corresponding reaction is investigated using quasi-classical trajectory (QCT) method in the collision energy range of 0.08 - 1.0 eV. The minimum energy paths (MEPs) calculated based on the present PES indicate that the titled reaction is exothermic, with the exothermicity being ∼ 0.204 eV. The calculation for the capture time indicates that at lower collision energy, the reaction is mainly governed by the indirect mechanism, while for higher collision energy, the direct mechanism and indirect mechanisms coexist with the latter being the dominant contributor.

  7. SCHEMA CONGRUITY – A BASIS FOR EVALUATING AMBIENT ADVERTISING EFFECTIVENESS

    Directory of Open Access Journals (Sweden)

    Jurca Maria Alina

    2013-07-01

    Full Text Available The purpose of this paper is to develop a theoretical basis for evaluating ambient advertising in relation to the schema. Ambient advertising, a creative form of out-of-home advertising that conveys direct and contextual messages by using and often altering existing elements of the environment in a way that surprises the target audience, appears to be a solution to the increasing clutter from the media. This study draws on the schema congruity theory to offer a better understanding of how consumers are processing information received from advertisements. Schemas are organized structures of knowledge and expectations that consumers develop in order to categorize the incoming information, and that they access every time they are experiencing a new situation. The schema-based approach is important in understanding consumer behavior because consumers are facing an environment filled with similar brands and products promoted by ads that sound and look alike. According to schema congruity theory information perceived as schema congruent offers a confortable feeling of familiarity and generates limited cognitive processing, whereas schema incongruent information generates surprise and triggers extensive cognitive processing in order to help individual make sense of the unusual situation. Taking into consideration the combination of the different levels of expectancy and relevancy there have been identified three congruency situations: extreme congruity, moderate incongruity and extreme incongruity. Existing research shows that moderate incongruent information offers the best results in recall and recognition and also the highest affect levels compared to extreme congruity and extreme incongruity. Based on evidence from literature this study attempts to position ambient advertising in the moderate incongruity category, thus theoretically proving the assumed effectiveness of this promotional tool. Therefore, this paper is a starting point in bringing the

  8. New STO(II-3Gmag family basis sets for the calculations of the molecules magnetic properties

    Directory of Open Access Journals (Sweden)

    Karina Kapusta

    2015-10-01

    Full Text Available An efficient approach for construction of physically justified STO(II-3Gmag family basis sets for calculation of molecules magnetic properties has been proposed. The procedure of construction based upon the taken into account the second order of perturbation theory in the magnetic field case. Analytical form of correction functions has been obtained using the closed representation of the Green functions by the solution of nonhomogeneous Schrödinger equation for the model problem of "one-electron atom in the external uniform magnetic field". Their performance has been evaluated for the DFT level calculations carried out with a number of functionals. The test calculations of magnetic susceptibility and 1H nuclear magnetic shielding tensors demonstrated a good agreement of the calculated values with the experimental data.

  9. Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.

    Science.gov (United States)

    Chacon-Madrid, Heber J; Murphy, Benjamin N; Pandis, Spyros N; Donahue, Neil M

    2012-10-16

    We use a two-dimensional volatility basis set (2D-VBS) box model to simulate secondary organic aerosol (SOA) mass yields of linear oxygenated molecules: n-tridecanal, 2- and 7-tridecanone, 2- and 7-tridecanol, and n-pentadecane. A hybrid model with explicit, a priori treatment of the first-generation products for each precursor molecule, followed by a generic 2D-VBS mechanism for later-generation chemistry, results in excellent model-measurement agreement. This strongly confirms that the 2D-VBS mechanism is a predictive tool for SOA modeling but also suggests that certain important first-generation products for major primary SOA precursors should be treated explicitly for optimal SOA predictions.

  10. Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method

    International Nuclear Information System (INIS)

    Xu, Peng; Gordon, Mark S.

    2013-01-01

    The charge transfer (CT) interaction, the most time-consuming term in the general effective fragment potential method, is made much more computationally efficient. This is accomplished by the projection of the quasiatomic minimal-basis-set orbitals (QUAMBOs) as the atomic basis onto the self-consistent field virtual molecular orbital (MO) space to select a subspace of the full virtual space called the valence virtual space. The diagonalization of the Fock matrix in terms of QUAMBOs recovers the canonical occupied orbitals and, more importantly, gives rise to the valence virtual orbitals (VVOs). The CT energies obtained using VVOs are generally as accurate as those obtained with the full virtual space canonical MOs because the QUAMBOs span the valence part of the virtual space, which can generally be regarded as “chemically important.” The number of QUAMBOs is the same as the number of minimal-basis MOs of a molecule. Therefore, the number of VVOs is significantly smaller than the number of canonical virtual MOs, especially for large atomic basis sets. This leads to a dramatic decrease in the computational cost

  11. Financial effects of ETS Set Aside

    Energy Technology Data Exchange (ETDEWEB)

    Van Dril, T. [ECN Policy Studies, Petten (Netherlands)

    2012-11-26

    The EU ETS (emissions trading system) has a growing surplus of allowances built up over the last few years. The economic downturn is regarded to be a major cause of the oversupply and the low level of the CO2 allowance price. From 2013 onwards, the ETS will enter its third phase in which a substantial part of the current allowances will be auctioned. In summer 2012, the European Commission proposed a draft Regulation to adjust the timing of auctions of emission allowances. The Commission states that it is not wise to feed a market that is already oversupplied and wants to auction fewer allowances in the next years (Set Aside). These Set Aside allowances should then be auctioned in the later years of the 2013-2020 ETS period (backloading). The proposal document does not suggest permanent withdrawal of allowances, since this requires amending the ETS directive. However, permanent withdrawal (cancellation) is certainly considered as an option to reinforce the ETS. The Netherlands Ministry of Finance is primarily interested in the economic effects of Set Aside scenarios. This paper focuses on the effects of Set Aside allowances on the government budget. Not just the auction revenues are considered, but also the indirect effect on funding renewable energy generation.

  12. Molecular Basis for Certain Neuroprotective Effects of Thyroid Hormone

    Directory of Open Access Journals (Sweden)

    Paul eDavis

    2011-10-01

    Full Text Available The pathophysiology of brain damage that is common to ischemia-reperfusion inury and brain trauma includes disordered neuronal and glial cell energetics, intracellular acidosis, calcium toxicity, extracellular excitotoxic glutamate accumulation and dysfunction of the cytoskeleton and endoplasmic reticulum. Thyroid hormone isoforms, 3, 5, 3'-triiodo-L-thyronine (T3 and L-thyroxine (T4, have nongenomic and genomic actions that are relevant to repair of certain features of the pathophysiology of brain damage. Thyroid hormone can nongenomically repair intracullar H+ accumulation by stimulation of the Na+/H+ exchanger and can support desirably low [Ca2+]i.c. by activation of plasma membrane Ca2+-ATPase. Thyroid hormone nongenomically stimulates astrocyte glutamate uptake, an action that protects both glial cells and neurons. The hormone supports the integrity of the cytoskeleton by its effect on actin. Several proteins linked to thyroid hormone action are also neuroprotective. For example, the hormone stimulates expression of the seladin-1 gene whose gene product is anti-apoptotic and is potentially protection in the setting of neurodegeneration. Transthyretin (TTR is a serum transport protein for T4 that is important to blood-brain barrier transfer of the hormone and TTR has also been found to be neuroprotective in the setting of ischemia. Finally, the interesting thyronamine derivatives of T4 have been shown to protect against ischemic brain damage through their ability to induce hypothermia in the intact organism. Thus, thyroid hromone or hormone derivatives have experimental promise as neuroprotective agents.

  13. Restorative effects of virtual nature settings.

    Science.gov (United States)

    Valtchanov, Deltcho; Barton, Kevin R; Ellard, Colin

    2010-10-01

    Previous research regarding the potential benefits of exposing individuals to surrogate nature (photographs and videos) has found that such immersion results in restorative effects such as increased positive affect, decreased negative affect, and decreased stress. In the current experiment, we examined whether immersion in a virtual computer-generated nature setting could produce restorative effects. Twenty-two participants were equally divided between two conditions, while controlling for gender. In each condition, participants performed a stress-induction task, and were then immersed in virtual reality (VR) for 10 minutes. The control condition featured a slide show in VR, and the nature experimental condition featured an active exploration of a virtual forest. Participants in the nature condition were found to exhibit increased positive affect and decreased stress after immersion in VR when compared to those in the control condition. The results suggest that immersion in virtual nature settings has similar beneficial effects as exposure to surrogate nature. These results also suggest that VR can be used as a tool to study and understand restorative effects.

  14. Electronic structure of crystalline uranium nitrides UN, U2N3 and UN2: LCAO calculations with the basis set optimization

    International Nuclear Information System (INIS)

    Evarestov, R A; Panin, A I; Bandura, A V; Losev, M V

    2008-01-01

    The results of LCAO DFT calculations of lattice parameters, cohesive energy and bulk modulus of the crystalline uranium nitrides UN, U 2 N 3 and UN 2 are presented and discussed. The LCAO computer codes Gaussian03 and Crystal06 are applied. The calculations are made with the uranium atom relativistic effective small core potential by Stuttgart-Cologne group (60 electrons in the core). The calculations include the U atom basis set optimization. Powell, Hooke-Jeeves, conjugated gradient and Box methods are implemented in the author's optimization package, being external to the codes for molecular and periodic calculations. The basis set optimization in LCAO calculations improves the agreement of the lattice parameter and bulk modulus of UN crystal with the experimental data, the change of the cohesive energy due to the optimization is small. The mixed metallic-covalent chemical bonding is found both in LCAO calculations of UN and U 2 N 3 crystals; UN 2 crystal has the semiconducting nature

  15. Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel.

    Science.gov (United States)

    Dixit, Anant; Ángyán, János G; Rocca, Dario

    2016-09-14

    A new formalism was recently proposed to improve random phase approximation (RPA) correlation energies by including approximate exchange effects [B. Mussard et al., J. Chem. Theory Comput. 12, 2191 (2016)]. Within this framework, by keeping only the electron-hole contributions to the exchange kernel, two approximations can be obtained: An adiabatic connection analog of the second order screened exchange (AC-SOSEX) and an approximate electron-hole time-dependent Hartree-Fock (eh-TDHF). Here we show how this formalism is suitable for an efficient implementation within the plane-wave basis set. The response functions involved in the AC-SOSEX and eh-TDHF equations can indeed be compactly represented by an auxiliary basis set obtained from the diagonalization of an approximate dielectric matrix. Additionally, the explicit calculation of unoccupied states can be avoided by using density functional perturbation theory techniques and the matrix elements of dynamical response functions can be efficiently computed by applying the Lanczos algorithm. As shown by several applications to reaction energies and weakly bound dimers, the inclusion of the electron-hole kernel significantly improves the accuracy of ground-state correlation energies with respect to RPA and semi-local functionals.

  16. Evaluation of one-dimensional and two-dimensional volatility basis sets in simulating the aging of secondary organic aerosol with smog-chamber experiments.

    Science.gov (United States)

    Zhao, Bin; Wang, Shuxiao; Donahue, Neil M; Chuang, Wayne; Hildebrandt Ruiz, Lea; Ng, Nga L; Wang, Yangjun; Hao, Jiming

    2015-02-17

    We evaluate the one-dimensional volatility basis set (1D-VBS) and two-dimensional volatility basis set (2D-VBS) in simulating the aging of SOA derived from toluene and α-pinene against smog-chamber experiments. If we simulate the first-generation products with empirical chamber fits and the subsequent aging chemistry with a 1D-VBS or a 2D-VBS, the models mostly overestimate the SOA concentrations in the toluene oxidation experiments. This is because the empirical chamber fits include both first-generation oxidation and aging; simulating aging in addition to this results in double counting of the initial aging effects. If the first-generation oxidation is treated explicitly, the base-case 2D-VBS underestimates the SOA concentrations and O:C increase of the toluene oxidation experiments; it generally underestimates the SOA concentrations and overestimates the O:C increase of the α-pinene experiments. With the first-generation oxidation treated explicitly, we could modify the 2D-VBS configuration individually for toluene and α-pinene to achieve good model-measurement agreement. However, we are unable to simulate the oxidation of both toluene and α-pinene with the same 2D-VBS configuration. We suggest that future models should implement parallel layers for anthropogenic (aromatic) and biogenic precursors, and that more modeling studies and laboratory research be done to optimize the "best-guess" parameters for each layer.

  17. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

    Science.gov (United States)

    Zhang, Gaigong; Lin, Lin; Hu, Wei; Yang, Chao; Pask, John E.

    2017-04-01

    Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann-Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann-Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H2 and liquid Al-Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

  18. Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations

    DEFF Research Database (Denmark)

    Kupka, Teobald; Stachów, Michal; Kaminsky, Jakub

    2013-01-01

    A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T) ), with affordable pcS-2 basis set and corresponding complete basis set results......, estimated from calculations with the family of polarizationconsistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and obtained with significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected...... set of 37 calculation methods. It was possible to formulate a practical approach of estimating the values of isotropic nuclear magnetic shielding constants at the CCSD(T)/CBS and MP2/CBS levels from affordable CCSD(T)/pcS-2, MP2/pcS-2 and DFT/CBS calculations with pcS-n basis sets. The proposed method...

  19. Connecting the solubility and CCN activation of complex organic aerosols: A theoretical study using the Solubility Basis Set (SBS)

    Science.gov (United States)

    Rastak, Narges; Riipinen, Ilona; Pandis, Spyros

    2015-04-01

    INTRODUCTION Organic aerosol particles often consist of thousands of compounds with different properties. One of these properties is solubility, which affects the hygroscopic growth and CCN activation of the organic particles. Here we investigate the CCN activation behavior of complex organic aerosols accounting for the distribution of solubilities present in these mixtures. METHODS We considered a monodisperse population of spherical aerosol particles consisting of an internal mixture of organic compounds. When exposed to water vapor, these particles were assumed to grow reaching a thermodynamic equilibrium between the water vapor and the particle phase. The composition of the organic and aqueous phases was determined on one hand by the equilibrium between the aqueous phase and water vapor, and on the other hand by the equilibrium of the aqueous phase with the organic insoluble phase. We modelled the mixtures with the help of a solubility basis set (SBS, analogous to the volatility basis set VBS, Donahue et al. 2006, 2011, 2012), describing the mixture with n surrogate compounds with varying solubilities. We varied the range and shape of the solubility distribution, and the number of components n in the distribution, we also assumed two different kinds of interactions between the organic compounds in the insoluble phase 1) ideal mixture, where organics limit each other's dissolution; 2) unity activity, where organics behave as pure compounds and do not influence each other's dissolution. Critical supersaturations and the dissolution behavior at the point of CCN activation were calculated utilizing the Köhler theory for all organic mixtures (denoted here as the "full model"). The full model predictions were compared with the three simplified models: 1) assuming complete dissolution of all compounds; 2) treating the organic mixture solubility with the hygroscopicity parameter κ and 3) assuming a fixed soluble fraction ɛ for each mixture. RESULTS AND CONCLUSIONS

  20. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-ζ basis sets

    Science.gov (United States)

    Yang, Jun; Hättig, Christof

    2009-08-01

    Coupled-cluster response theory for frequency-dependent optical properties within the coupled-cluster singles-and-doubles model (CCSD) has been derived and implemented for ansatz 2 of the explicitly correlated CCSD(R12) and CCSD(F12) methods as part of the program package DALTON. The basis set convergence of static dipole moments, polarizabilities, and parallel averages of first and second hyperpolarizabilities has been investigated for Ne, BH, N2, CO, and BF. The frequency-dependent results are presented for the electronic second-harmonic generation of N2. With triple-ζ basis sets, the CCSD(F12) correlation contributions using ansatz 2 are close to the basis set limits for dipole moments and second hyperpolarizabilities; the CCSD(R12) results are better than the CCSD results obtained with at least quintuple-ζ basis sets for polarizabilities and first hyperpolarizabilities. The exponent of Slater-type correlation factor for CCSD(F12) ground state energy may not be optimal and has to be re-examined for response properties. We also suggest that the remaining one-electron basis set errors arising within the coupled-cluster singles should be reduced by allowing excitations into the auxiliary orbital space.

  1. Linguistic effects on the neural basis of theory of mind.

    Science.gov (United States)

    Frank, C Kobayashi

    2010-07-08

    "Theory of mind" (ToM) has been described as the ability to attribute and understand other people's desires and intentions as distinct from one's own. There has been a debate about the extent to which language influences ToM development. Although very few studies directly examined linguistic influence on the neural basis of ToM, results from these studies indicate at least moderate influence of language on ToM. In this review both behavioral and neurological studies that examined the relationship between language and ToM are selectively discussed. This review focuses on cross-linguistic / cultural studies (especially Japanese vs. American / English) since my colleagues and I found evidence of significant linguistic influence on the neural basis of ToM through a series of functional brain imaging experiments. Evidence from both behavioral and neurological studies of ToM (including ours) suggests that the pragmatic (not the constitutive) aspects of language influence ToM understanding more significantly.

  2. Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

    International Nuclear Information System (INIS)

    Frisch, M.J.; Binkley, J.S.; Schaefer, H.F. III

    1984-01-01

    The relative energies of the stationary points on the FH 2 and H 2 CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H 2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Moller--Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H 2 →FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol -1 of the experimental value using the largest basis set considered. The qualitative features of the H 2 CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended

  3. Set-fit effects in choice

    NARCIS (Netherlands)

    Evers, Ellen R.K.; Inbar, Yoel; Zeelenberg, Marcel

    2014-01-01

    In 4 experiments, we investigate how the "fit" of an item with a set of similar items affects choice. We find that people have a notion of a set that "fits" together-one where all items are the same, or all items differ, on salient attributes. One consequence of this notion is that in addition to

  4. Set-fit effects in choice

    NARCIS (Netherlands)

    Evers, E.R.K.; Inbar, Y.; Zeelenberg, M.

    2014-01-01

    In 4 experiments, we investigate how the “fit” of an item with a set of similar items affects choice. We find that people have a notion of a set that “fits” together—one where all items are the same, or all items differ, on salient attributes. One consequence of this notion is that in addition to

  5. The Perceptual Basis of the Modality Effect in Multimedia Learning

    Science.gov (United States)

    Rummer, Ralf; Schweppe, Judith; Furstenberg, Anne; Scheiter, Katharina; Zindler, Antje

    2011-01-01

    Various studies have demonstrated an advantage of auditory over visual text modality when learning with texts and pictures. To explain this modality effect, two complementary assumptions are proposed by cognitive theories of multimedia learning: first, the visuospatial load hypothesis, which explains the modality effect in terms of visuospatial…

  6. The Quantum Cheshire Cat effect: Theoretical basis and observational implications

    Science.gov (United States)

    Duprey, Q.; Kanjilal, S.; Sinha, U.; Home, D.; Matzkin, A.

    2018-04-01

    The Quantum Cheshire Cat (QCC) is an effect introduced recently within the Weak Measurements framework. The main feature of the QCC effect is that a property of a quantum particle appears to be spatially separated from its position. The status of this effect has however remained unclear, as claims of experimental observation of the QCC have been disputed by strong criticism of the experimental as well as the theoretical aspects of the effect. In this paper we clarify in what precise sense the QCC can be regarded as an unambiguous consequence of the standard quantum mechanical formalism applied to describe quantum pointers weakly coupled to a system. In light of this clarification, the raised criticisms of the QCC effect are rebutted. We further point out that the limitations of the experiments performed to date imply that a loophole-free experimental demonstration of the QCC has not yet been achieved.

  7. Will the changes proposed to the conceptual framework’s definitions and recognition criteria provide a better basis for the IASB standard setting?

    NARCIS (Netherlands)

    Brouwer, A.; Hoogendoorn, M.; Naarding, E.

    2015-01-01

    In this paper we evaluate the International Accounting Standards Board’s (IASB) efforts, in a discussion paper (DP) of 2013, to develop a new conceptual framework (CF) in the light of its stated ambition to establish a robust and consistent basis for future standard setting, thereby guiding standard

  8. On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

    DEFF Research Database (Denmark)

    Faber, Rasmus; Sauer, Stephan P. A.

    2018-01-01

    The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained us...

  9. Insulin glargine: pharmacokinetic and pharmacodynamic basis of clinical effect

    Directory of Open Access Journals (Sweden)

    Vadim Valeryevich Klimontov

    2014-10-01

    Full Text Available Glargine became the first long-acting insulin analogue. Glargine was designed to meet basal insulin requirements throughout the day with a single injection. Pharmacokinetics of insulin glargine is characterized by biotransformation into metabolites M1 and M2 that transforms the B chain of glargine so it is similar to the B chain of human insulin. Plasma concentrations of active M1 and M2 metabolites have no pronounced peaks during the day, resulting in lower glucose variability and hypoglycaemia risk when compared with NPH insulin. The metabolic activities of M1 and M2 metabolites are similar to the effect of glargine, whereas the mitogenic effects of these metabolites do not exceed the effect of human insulin. Insulin glargine shows a higher affinity for the insulin-like growth factor-1 (IGF-1 receptor when compared with human insulin. Glargine has no proliferative effect in vivo owing to its rapid conversion into metabolites. Pharmacokinetic and pharmacodynamic variability of glargine is comparable to other insulins. These characteristics are important for the clinical efficacy and safety of glargine.

  10. Modified Motor Vehicles Travel Speed Models on the Basis of Curb Parking Setting under Mixed Traffic Flow

    OpenAIRE

    Mei, Zhenyu; Chen, Jun

    2012-01-01

    The ongoing controversy about in what condition should we set the curb parking has few definitive answers because comprehensive research in this area has been lacking. Our goal is to present a set of heuristic urban street speed functions under mixed traffic flow by taking into account impacts of curb parking. Two impacts have been defined to classify and quantify the phenomena of motor vehicles' speed dynamics in terms of curb parking. The first impact is called Space impact, which is caused...

  11. Intrinsic Local Constituents of Molecular Electronic Wave Functions.I. Exact Representation of the Density Matrix in Terms of Chemically Deformed and Oriented Atomic Minimal Basis Set Orbitals

    Energy Technology Data Exchange (ETDEWEB)

    Joseph Ivanic; Gregory J. Atchity; Klaus Ruedenberg

    2007-02-12

    A coherent, intrinsic, basis-set-independent analysis is developed for the invariants of the first-order density matrix of an accurate molecular electronic wavefunction. From the hierarchical ordering of the natural orbitals, the zeroth-order orbital space is deduced, which generates the zeroth-order wavefunction, typically an MCSCF function in the full valence space. It is shown that intrinsically embedded in such wavefunctions are elements that are local in bond regions and elements that are local in atomic regions. Basis-set-independent methods are given that extract and exhibit the intrinsic bond orbitals and the intrinsic minimal-basis quasi-atomic orbitals in terms of which the wavefunction can be exactly constructed. The quasi-atomic orbitals are furthermore oriented by a basis-set independent method (viz. maximization of the sum of the fourth powers of all off-diagonal density matrix elements) so as to exhibit clearly the chemical interactions. The unbiased nature of the method allows for the adaptation of the localized and directed orbitals to changing geometries.

  12. Synergy effects of herb extracts: pharmacokinetics and pharmacodynamic basis.

    Science.gov (United States)

    Yang, Yong; Zhang, Zaiqi; Li, Shuping; Ye, Xiaoli; Li, Xuegang; He, Kai

    2014-01-01

    Herbal medicine, especially traditional Chinese medicine and Ayurvedic medicine have played and still play an important role in fighting against various diseases. Emerging clinical studies regarding traditional Chinese medicine have provided convincing evidence for the first time to gain credibility and reputation outside China. Although synergistic therapeutic actions of herbal ingredients have been frequently reported, few reports have offered clear underlying mechanisms. This might be the main reason for the conflicting views with respect to the therapeutic efficacy of medicinal herbs. Therefore, this paper reviews the herb synergisms reported in the recent literature and discusses thoroughly the mechanisms underlying synergistic actions of herbal ingredients. The authors conducted an electronic literature search to detect articles published mainly in the last five years. Articles were included if they pertained to synergy research of ethnomedicines or the active compounds derived from them, included verification of synergy effects using modern analytical tools and molecular-biological methods. Results have revealed that the multi-component nature of medicinal herbs makes them particularly suitable for treating complex diseases and offers great potential for exhibiting synergistic actions. The mechanisms underlying synergistic therapeutic actions of herb medicines are (1): different agents may regulate either the same or different target in various pathways, and therefore cooperate in an agonistic, synergistic way; (2): regulate the enzymes and transporters that are involved in hepatic and intestinal metabolism to improve oral drug bioavailability; (3): overcome the drug resistance mechanisms of microbial and cancer cells; and (4): eliminate the adverse effects and enhance pharmacological potency of agents by "processing" or by drug-drug interaction. The exploration of synergistic mechanisms of herbal ingredients will not only help researchers to discover new

  13. Comment on "Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set" [J. Chem. Phys. 139, 114104 (2013)

    DEFF Research Database (Denmark)

    Brandbyge, Mads

    2014-01-01

    In a recent paper Reuter and Harrison [J. Chem. Phys.139, 114104 (2013)] question the widely used mean-field electron transport theories, which employ nonorthogonal localized basis sets. They claim these can violate an “implicit decoupling assumption,” leading to wrong results for the current......, different from what would be obtained by using an orthogonal basis, and dividing surfaces defined in real-space. We argue that this assumption is not required to be fulfilled to get exact results. We show how the current/transmission calculated by the standard Greens function method is independent...

  14. EFFECTIVE STIMULATION WORKERS – BASIS OF ECONOMIC GROWTH COMPANIES

    Directory of Open Access Journals (Sweden)

    V. G. Drobyshev

    2014-01-01

    Full Text Available Summary. At the present stage of development of domestic agricultural production is a key strategic direction of the innovative development of the industry. Tasked by the government to effectively modernize the economy reflect the latest scientific and technological progress, innovation, positive perception of new ideas and breakthrough technologies. In this regard, the decisive role played by the information network , computer systems, high production technology and intellectual resources of society, innovative organization of various spheres of human activity , as well as a new level of relations to knowledge. The main driving force of innovation development of agro-industrial production in Russia at the present stage is the human potential to carry out the restructuring of the agricultural sector with the latest achievements of scientific and technical progress. Famous slogan - "cadres decide everything" under the innovation paradigm of reforming the economy is of particular relevance. One of the important reasons for the low level of innovative development of agricultural production is the lack of motivation of creative work in the agricultural workers business organizations. For the development of advanced technologies for improving the quality and reducing the material cost per unit of cash - produ Dima products they do not receive adequate material compensation. This is largely inhibits the activity of employees in the development of advanced low-cost and resource-saving technologies in agricultural production. We propose an original model for innovative employee incentiveing activity and a real contribution to improving the efficiency of the enterprise. To take into account the personal contribution of the employee in additional economic benefit through innovative component and determining bonuses, proposed to use the "coefficient of innovation activity employee" (CIAE. The value of this coefficient is defined as the ratio of profits

  15. Promoting effective teamwork in the healthcare setting.

    Science.gov (United States)

    Ryan, Sarah

    2017-03-22

    Patients require access to various healthcare professionals to manage their healthcare needs. Most nurses work in a team established to provide optimum care for patients. This article explores the stages necessary to develop an effective healthcare team and identifies the attributes required for effective teamwork. These include: effective leadership, a shared mental approach (a common understanding of the roles and responsibilities of all members of the team), respect among team members and shared training. Scenarios involving a rheumatology team that includes the author are used to demonstrate how effective teams can be established in practice, and the benefits of effective healthcare teams to staff well-being and patient care.

  16. Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.

    Science.gov (United States)

    Rodriguez-Bautista, Mariano; Díaz-García, Cecilia; Navarrete-López, Alejandra M; Vargas, Rubicelia; Garza, Jorge

    2015-07-21

    In this report, we use a new basis set for Hartree-Fock calculations related to many-electron atoms confined by soft walls. One- and two-electron integrals were programmed in a code based in parallel programming techniques. The results obtained with this proposal for hydrogen and helium atoms were contrasted with other proposals to study just one and two electron confined atoms, where we have reproduced or improved the results previously reported. Usually, an atom enclosed by hard walls has been used as a model to study confinement effects on orbital energies, the main conclusion reached by this model is that orbital energies always go up when the confinement radius is reduced. However, such an observation is not necessarily valid for atoms confined by penetrable walls. The main reason behind this result is that for atoms with large polarizability, like beryllium or potassium, external orbitals are delocalized when the confinement is imposed and consequently, the internal orbitals behave as if they were in an ionized atom. Naturally, the shell structure of these atoms is modified drastically when they are confined. The delocalization was an argument proposed for atoms confined by hard walls, but it was never verified. In this work, the confinement imposed by soft walls allows to analyze the delocalization concept in many-electron atoms.

  17. Study on effective prestressing effects on concrete containment under the design-basis pressure condition

    International Nuclear Information System (INIS)

    Sun Feng; Pan Rong; Wang Lu; Mao Huan; Yang Yu

    2013-01-01

    Prestressing technology is widely used in nuclear power plant containment building, and the durability of containment structure is affected directly by the distribution and loss of prestressing value under design-basis pressure. Containment structure and the distribution of prestressing system are introduced briefly. Furthermore, the calculating process of horizontal prestressing bunch loss near the equipment hatch hole is put forward in details, and the containment structure prestressing loss when 5-year pressure test is obtained. Based above analysis, the finite element model of the prestressed concrete containment structure is built by using ANSYS code, the prestressing effect on concrete containment is analysed. The results show that most of the design pressure is bore by the prestressing system under the design-basis pressure, so the containment structure is safe. These conclusions are consistent with prestressing containment system design concepts, which can provide reference to the engineering staff. (authors)

  18. Modified Motor Vehicles Travel Speed Models on the Basis of Curb Parking Setting under Mixed Traffic Flow

    Directory of Open Access Journals (Sweden)

    Zhenyu Mei

    2012-01-01

    Full Text Available The ongoing controversy about in what condition should we set the curb parking has few definitive answers because comprehensive research in this area has been lacking. Our goal is to present a set of heuristic urban street speed functions under mixed traffic flow by taking into account impacts of curb parking. Two impacts have been defined to classify and quantify the phenomena of motor vehicles' speed dynamics in terms of curb parking. The first impact is called Space impact, which is caused by the curb parking types. The other one is the Time impact, which results from the driver maneuvering in or out of parking space. In this paper, based on the empirical data collected from six typical urban streets in Nanjing, China, two models have been proposed to describe these phenomena for one-way traffic and two-way traffic, respectively. An intensive experiment has been conducted in order to calibrate and validate these proposed models, by taking into account the complexity of the model parameters. We also provide guidelines in terms of how to cluster and calculate those models' parameters. Results from these models demonstrated promising performance of modeling motor vehicles' speed for mixed traffic flow under the influence of curb parking.

  19. Laser-Doppler-Velocimetry on the basis of frequency selective absorption: set-up and test of a Doppler Gloval Velocimeter; Laser-Doppler-Velocimetry auf der Basis frequenzselektiver Absorption: Aufbau und Einsatz eines Doppler Global Velocimeters

    Energy Technology Data Exchange (ETDEWEB)

    Roehle, I.

    1999-11-01

    A Doppler Global Velocimeter was set up in the frame of a PhD thesis. This velocimeter is optimized to carry out high accuracy, three component, time averaged planar velocity measurements. The anemometer was successfully applied to wind tunnel and test rig flows, and the measurement accuracy was investigated. A volumetric data-set of the flow field inside an industrial combustion chamber was measured. This data field contained about 400.000 vectors. DGV measurements in the intake of a jet engine model were carried out applying a fibre bundle boroskope. The flow structure of the wake of a car model in a wind tunnel was investigated. The measurement accuracy of the DGV-System is {+-}0.5 m/s when operated under ideal conditions. This study can serve as a basis to evaluate the use of DGV for aerodynamic development experiments. (orig.) [German] Im Rahmen der Dissertation wurde ein auf hohe Messgenauigkeit optimiertes DGV-Geraet fuer zeitlich gemittelte Drei-Komponenten-Geschwindigkeitsmessungen entwickelt und gebaut, an Laborstroemungen, an Teststaenden und an Windkanaelen erfolgreich eingesetzt und das Potential der Messtechnik, insbesondere im Hinblick auf Messgenauigkeit, untersucht. Im Fall einer industriellen Brennkammer konnte ein Volumen-Datensatz des Stroemungsfeldes erstellt werden, dessen Umfang bei ca. 400.000 Vektoren lag. Es wurden DGV-Messungen mittels eines flexiblen Endoskops auf Basis eines Faserbuendels durchgefuehrt und damit die Stroemung in einem Flugzeugeinlauf vermessen. Es wurden DGV-Messungen im Nachlauf eines PKW-Modells in einem Windkanal durchgefuehrt. Die Messgenauigkeit des erstellten DGV-Systems betraegt unter Idealbedingungen {+-}0,5 m/s. Durch die Arbeit wurde eine Basis zur Beurteilung des Nutzens der DGV-Technik fuer aerodynamische Entwicklungsarbeiten geschaffen. (orig.)

  20. All-electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange-correlation functional, and the supercell size.

    Science.gov (United States)

    Evarestov, R A; Losev, M V

    2009-12-01

    For the first time the convergence of the phonon frequencies and dispersion curves in terms of the supercell size is studied in ab initio frozen phonon calculations on LiF crystal. Helmann-Feynman forces over atomic displacements are found in all-electron calculations with the localized atomic functions (LCAO) basis using CRYSTAL06 program. The Parlinski-Li-Kawazoe method and FROPHO program are used to calculate the dynamical matrix and phonon frequencies of the supercells. For fcc lattice, it is demonstrated that use of the full supercell space group (including the supercell inner translations) enables to reduce essentially the number of the displacements under consideration. For Hartree-Fock (HF), PBE and hybrid PBE0, B3LYP, and B3PW exchange-correlation functionals the atomic basis set optimization is performed. The supercells up to 216 atoms (3 x 3 x 3 conventional unit cells) are considered. The phonon frequencies using the supercells of different size and shape are compared. For the commensurate with supercell k-points the best agreement of the theoretical results with the experimental data is found for B3PW exchange-correlation functional calculations with the optimized basis set. The phonon frequencies at the most non-commensurate k-points converged for the supercell consisting of 4 x 4 x 4 primitive cells and ensures the accuracy 1-2% in the thermodynamic properties calculated (the Helmholtz free energy, entropy, and heat capacity at the room temperature). (c) 2009 Wiley Periodicals, Inc.

  1. Molecular Basis of Cardioprotective Effect of Antioxidant Vitamins in Myocardial Infarction

    Science.gov (United States)

    Rodrigo, Ramón; Feliú, Felipe; Hasson, Daniel

    2013-01-01

    Acute myocardial infarction (AMI) is the leading cause of mortality worldwide. Major advances in the treatment of acute coronary syndromes and myocardial infarction, using cardiologic interventions, such as thrombolysis or percutaneous coronary angioplasty (PCA) have improved the clinical outcome of patients. Nevertheless, as a consequence of these procedures, the ischemic zone is reperfused, giving rise to a lethal reperfusion event accompanied by increased production of reactive oxygen species (oxidative stress). These reactive species attack biomolecules such as lipids, DNA, and proteins enhancing the previously established tissue damage, as well as triggering cell death pathways. Studies on animal models of AMI suggest that lethal reperfusion accounts for up to 50% of the final size of a myocardial infarct, a part of the damage likely to be prevented. Although a number of strategies have been aimed at to ameliorate lethal reperfusion injury, up to date the beneficial effects in clinical settings have been disappointing. The use of antioxidant vitamins could be a suitable strategy with this purpose. In this review, we propose a systematic approach to the molecular basis of the cardioprotective effect of antioxidant vitamins in myocardial ischemia-reperfusion injury that could offer a novel therapeutic opportunity against this oxidative tissue damage. PMID:23936799

  2. Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED.

    Directory of Open Access Journals (Sweden)

    Ling Li

    Full Text Available Polycomb repressive complex 2 (PRC2, a histone H3 lysine 27 methyltransferase, plays a key role in gene regulation and is a known epigenetics drug target for cancer therapy. The WD40 domain-containing protein EED is the regulatory subunit of PRC2. It binds to the tri-methylated lysine 27 of the histone H3 (H3K27me3, and through which stimulates the activity of PRC2 allosterically. Recently, we disclosed a novel PRC2 inhibitor EED226 which binds to the K27me3-pocket on EED and showed strong antitumor activity in xenograft mice model. Here, we further report the identification and validation of four other EED binders along with EED162, the parental compound of EED226. The crystal structures for all these five compounds in complex with EED revealed a common deep pocket induced by the binding of this diverse set of compounds. This pocket was created after significant conformational rearrangement of the aromatic cage residues (Y365, Y148 and F97 in the H3K27me3 binding pocket of EED, the width of which was delineated by the side chains of these rearranged residues. In addition, all five compounds interact with the Arg367 at the bottom of the pocket. Each compound also displays unique features in its interaction with EED, suggesting the dynamics of the H3K27me3 pocket in accommodating the binding of different compounds. Our results provide structural insights for rational design of novel EED binder for the inhibition of PRC2 complex activity.

  3. Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

    Science.gov (United States)

    Hutter, Jürg

    2003-03-01

    An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.

  4. Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states

    Energy Technology Data Exchange (ETDEWEB)

    Ochi, Masayuki, E-mail: ochi@phys.sci.osaka-u.ac.jp; Arita, Ryotaro [RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama 351-0198 (Japan); JST ERATO Isobe Degenerate pi-Integration Project, Advanced Institute for Materials Research (AIMR), Tohoku University, Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yamamoto, Yoshiyuki [Department of Physics, The University of Tokyo, Hongo, Bunkyo, Tokyo 113-0033 (Japan); Tsuneyuki, Shinji [Department of Physics, The University of Tokyo, Hongo, Bunkyo, Tokyo 113-0033 (Japan); Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581 (Japan)

    2016-03-14

    We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity in the TC method is well handled with a block-Davidson algorithm. We verify that the required computational cost is efficiently reduced by our algorithm. In addition, we apply our plane-wave-basis TC calculation to some simple sp-electron systems with deep core states to elucidate an impact of the pseudopotential approximation to the calculated band structures. We find that a position of the deep valence bands is improved by an explicit inclusion of core states, but an overall band structure is consistent with a regular setup that includes core states into the pseudopotentials. This study offers an important understanding for the future application of the TC method to strongly correlated solids.

  5. Evolution in time of an N-atom system. I. A physical basis set for the projection of the master equation

    International Nuclear Information System (INIS)

    Freedhoff, Helen

    2004-01-01

    We study an aggregate of N identical two-level atoms (TLA's) coupled by the retarded interatomic interaction, using the Lehmberg-Agarwal master equation. First, we calculate the entangled eigenstates of the system; then, we use these eigenstates as a basis set for the projection of the master equation. We demonstrate that in this basis the equations of motion for the level populations, as well as the expressions for the emission and absorption spectra, assume a simple mathematical structure and allow for a transparent physical interpretation. To illustrate the use of the general theory in emission processes, we study an isosceles triangle of atoms, and present in the long wavelength limit the (cascade) emission spectrum for a hexagon of atoms fully excited at t=0. To illustrate its use for absorption processes, we tabulate (in the same limit) the biexciton absorption frequencies, linewidths, and relative intensities for polygons consisting of N=2,...,9 TLA's

  6. On the Raman and infrared vibrational spectra of the ɛ and ζ phases of oxygen. Systematic DFT studies with localized basis sets

    Science.gov (United States)

    Ochoa-Calle, A. J.; Zicovich-Wilson, C. M.; Ramírez-Solís, A.

    2015-10-01

    We address the pressure evolution of the Raman and infrared vibrational modes of the ɛ and ζ phases of oxygen. We use DFT with various GGA and hybrid functionals with localized atomic basis sets. The frequency evolution of the OV, MIR, FIR, L1 and L2 modes is in good agreement with experimental data. The better performance of all methods at pressures >30 GPa is related to the decreasing multireference character of the (O2)4 unit cell wavefunction. Hybrid functionals predict the ɛ-ζ phase transition by the appearance of red-shifted L1 and L2 Raman modes in the transition pressure region.

  7. The Effects of Goal Setting on Rugby Performance

    Science.gov (United States)

    Mellalieu, Stephen D.; Hanton, Sheldon; O'Brien, Michael

    2006-01-01

    Goal-setting effects on selected performance behaviors of 5 collegiate rugby players were assessed over an entire competitive season using self-generated targets and goal-attainment scaling. Results suggest that goal setting was effective for enhancing task-specific on-field behavior in rugby union. (Contains 1 figure.)

  8. Basis set effects on the energy and hardness profiles of the ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. In earlier work, the present authors have shown that hardness profiles are less dependent on the level of calculation than energy profiles for potential energy surfaces (PESs) having ... Indeed, the whole of chemistry can be considered as a series of exercises on PESs.1,2. The characterization of the PES is normally.

  9. Basis set effects on the energy and hardness profiles of the ...

    Indian Academy of Sciences (India)

    At variance with energy profiles, hardness profiles always show the correct number of stationary points. This characteristic has been used to indicate the existence of spurious stationary points on the PESs. In the present work, we apply this methodology to the hydrogen fluoride dimer, a classical difficult case for the density ...

  10. Basis set effects on the energy and hardness profiles of the ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. In earlier work, the present authors have shown that hardness profiles are less dependent on the level of calculation than energy profiles for potential energy surfaces (PESs) having pathological be- haviors. At variance with energy profiles, hardness profiles always show the correct number of stationary points.

  11. Greenhouse Effect Detection Experiment (GEDEX). Selected data sets

    Science.gov (United States)

    Olsen, Lola M.; Warnock, Archibald, III

    1992-01-01

    This CD-ROM contains selected data sets compiled by the participants of the Greenhouse Effect Detection Experiment (GEDEX) workshop on atmospheric temperature. The data sets include surface, upper air, and/or satellite-derived measurements of temperature, solar irradiance, clouds, greenhouse gases, fluxes, albedo, aerosols, ozone, and water vapor, along with Southern Oscillation Indices and Quasi-Biennial Oscillation statistics.

  12. Effect of the thickness distribution and setting condition on ...

    African Journals Online (AJOL)

    First based on bending theory, springback of a multi-layer sheet was discussed analytically. Then, the effect of layers' thicknesses and setting condition on springback were studied and then Genetic Algorithm (GA) was applied in order to minimize springback in certain setting condition. FEM simulation of sandwich sheet ...

  13. Dynamical properties of non-ideal plasma on the basis of effective potentials

    Energy Technology Data Exchange (ETDEWEB)

    Ramazanov, T. S.; Kodanova, S. K.; Moldabekov, Zh. A.; Issanova, M. K. [IETP, Al-Farabi Kazakh National University, 71 Al-Farabi str., Almaty 050040 (Kazakhstan)

    2013-11-15

    In this work, stopping power has been calculated on the basis of the Coulomb logarithm using the effective potentials. Calculations of the Coulomb logarithm and stopping power for different interaction potentials and degrees of ionization are compared. The comparison with the data of other theoretical and experimental works was carried out.

  14. Genetic basis and detection of unintended effects in genetically modified crop plants

    Science.gov (United States)

    In January 2014, an international meeting sponsored by the International Life Sciences Institute/Health and Environmental Sciences Institute and the Canadian Food Inspection Agency titled “Genetic Basis of Unintended Effects in Modified Plants” was held in Ottawa, Canada, bringing together over 75 s...

  15. Molecular basis of the mutagenic and lethal effects of ultraviolet irradiation

    International Nuclear Information System (INIS)

    Grossman, L.

    1982-01-01

    Using bacteria as a model, the molecular basis of the mutagenic and lethal effects of uv radiation is being studied. Attention is focused on the mechanism of action of uv-1 specific endonucleases in the repair of damaged DNA. The isolation and identification of similar enzymes in human cells are being conducted concurrently

  16. DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules.

    Science.gov (United States)

    Wu, Anan; Xu, Xin

    2012-06-15

    We present a method, named DCMB, for the calculations of large molecules. It is a combination of a parallel divide-and-conquer (DC) method and a mixed-basis (MB) set scheme. In this approach, atomic forces, total energy and vibrational frequencies are obtained from a series of MB calculations, which are derived from the target system utilizing the DC concept. Unlike the fragmentation based methods, all DCMB calculations are performed over the whole target system and no artificial caps are introduced so that it is particularly useful for charged and/or delocalized systems. By comparing the DCMB results with those from the conventional method, we demonstrate that DCMB is capable of providing accurate prediction of molecular geometries, total energies, and vibrational frequencies of molecules of general interest. We also demonstrate that the high efficiency of the parallel DCMB code holds the promise for a routine geometry optimization of large complex systems. Copyright © 2012 Wiley Periodicals, Inc.

  17. Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

    International Nuclear Information System (INIS)

    Wang, C.S.; Freeman, A.J.

    1979-01-01

    We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations

  18. Harmonic Vibrational Frequencies: Approximate Global Scaling Factors for TPSS, M06, and M11 functional families using several common basis sets

    Science.gov (United States)

    Kashinski, D. O.; Nelson, R. G.; Chase, G. M.; di Nallo, O. E.; Byrd, E. F. C.

    2017-04-01

    We propose new approximate global multiplicative scaling factors for the DFT calculation of harmonic vibrational frequencies using functionals from the TPSS, M06, and M11 functional families with standard Correlation Consistent cc-pV xZ and aug-cc-pV xZ (x = D, T and Q), 6-311G split valence family, as well as Sadlej, and Sapporo polarized triple- ζ basis sets. A total of 99 harmonic frequencies are being calculated for 26 gas phase organic and non-organic molecules typically found in detonated solid propellant residue. The approximate multiplicative scaling factors and associated uncertainties are being determined using a least squares approach comparing the computed harmonic frequencies to experimental counterparts well established in the scientific literature. A comparison of our work to previously published global scaling factors will be made to verify method reliability and the applicability of our molecular test set. An update on the progress of this work will be given at the meeting. work supported by the ARL, DoD-HPCMP, and USMA.

  19. Priority Setting, Cost-Effectiveness, and the Affordable Care Act.

    Science.gov (United States)

    Persad, Govind

    2015-01-01

    The Affordable Care Act (ACA) may be the most important health law statute in American history, yet much of the most prominent legal scholarship examining it has focused on the merits of the court challenges it has faced rather than delving into the details of its priority-setting provisions. In addition to providing an overview of the ACA's provisions concerning priority setting and their developing interpretations, this Article attempts to defend three substantive propositions. First, I argue that the ACA is neither uniformly hostile nor uniformly friendly to efforts to set priorities in ways that promote cost and quality. Second, I argue that the ACA does not take a single, unified approach to priority setting; rather, its guidance varies depending on the aspect of the healthcare system at issue (Patient Centered Outcomes Research Institute, Medicare, essential health benefits) and the factors being excluded from priority setting (age, disability, life expectancy). Third, I argue that cost-effectiveness can be achieved within the ACA's constraints, but that doing so will require adopting new approaches to cost-effectiveness and priority setting. By limiting the use of standard cost-effectiveness analysis, the ACA makes the need for workable rivals to cost-effectiveness analysis a pressing practical concern rather than a mere theoretical worry.

  20. Effect of cluster sets on plyometric jump power.

    Science.gov (United States)

    Moreno, Steven D; Brown, Lee E; Coburn, Jared W; Judelson, Daniel A

    2014-09-01

    Cluster sets may lead to enhanced power (PW) production by allowing for partial recovery. The purpose of this study was to determine the effects of cluster sets vs. traditional sets on plyometric jump PW, ground reaction force, take-off velocity (TOV), and jump height (JH). Twenty-six recreationally trained college men completed 3 testing sessions, which involved performing repeated body-weight (BW) plyometric squat jumps across 3 different set configurations: traditional (2 sets of 10 with 90-second rest between sets), cluster 1 (4 sets of 5 with 30-second rest between sets), and cluster 2 (10 sets of 2 with 10-second rest between sets). Ground reaction force results demonstrated no interaction or main effect for condition, but there was a significant (p ≤ 0.05) main effect for repetition, where repetition 1 was significantly less than repetitions 3-5, 7-10, 12-15, and 17-20. For TOV, PW, and JH, there were significant interactions. Take-off velocity resulted in the following: Traditional, repetition 1 was significantly greater than repetitions 7-10 and 17-20, but was significantly less than repetition 13; cluster 1, repetition 1 was significantly less than repetitions 2-5; and cluster 2, there were no significant differences. Power resulted in the following: Traditional, repetition 1 was significantly greater than repetitions 4-10 and 14-20; cluster 1, repetition 1 was significantly greater than repetitions 7-10 and 12-20; and cluster 2, repetition 1 was significantly greater than repetitions 3, 6-18, and 20. Jump height resulted in the following: Traditional, repetition 1 was significantly greater than repetitions 18-20, but was significantly less than repetitions 3 and 13. For cluster 1 and cluster 2, there were no significant differences. These results demonstrate that cluster sets, specifically 10 sets of 2, allow for a greater maintenance of PW, TOV, and JH compared with a traditional 2 sets of 10 when performing repeated BW plyometric squat jumps. A lack

  1. Analysis of Doppler effect with JAERI-Fast set

    International Nuclear Information System (INIS)

    Takano, Hideki; Matsui, Yasushi.

    1977-07-01

    Temperature dependence of group cross sections in the JAERI-Fast set versions I, IR, II and IIR has been tested from the analysis of Doppler experiments performed with two different methods. One is Doppler reactivity measurement for the whole core of SEFOR assembly, and the other sample Doppler reactivity measurement for natural UO 2 in FCA assemblies V-1, V-2, VI-1 and VI-2, ZPR-6-7, ZPR-3-47, and ZPPR-2 and 3. Doppler effects were calculated with one- and two-dimensional diffusion 1-st order perturbation code DOPP2D. The results calculated with the JAERI-Fast set versions II and IIR are in good agreement with the experimental ones. In these calculation, resonance heterogeneity effect, stainless-stell buffer effect and plate heterogeneity effect are considered, and these effects contribute significantly to Doppler effect. (auth.)

  2. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

    KAUST Repository

    Richard, Ryan M.

    2016-01-05

    © 2016 American Chemical Society. In designing organic materials for electronics applications, particularly for organic photovoltaics (OPV), the ionization potential (IP) of the donor and the electron affinity (EA) of the acceptor play key roles. This makes OPV design an appealing application for computational chemistry since IPs and EAs are readily calculable from most electronic structure methods. Unfortunately reliable, high-accuracy wave function methods, such as coupled cluster theory with single, double, and perturbative triples [CCSD(T)] in the complete basis set (CBS) limit are too expensive for routine applications to this problem for any but the smallest of systems. One solution is to calibrate approximate, less computationally expensive methods against a database of high-accuracy IP/EA values; however, to our knowledge, no such database exists for systems related to OPV design. The present work is the first of a multipart study whose overarching goal is to determine which computational methods can be used to reliably compute IPs and EAs of electron acceptors. This part introduces a database of 24 known organic electron acceptors and provides high-accuracy vertical IP and EA values expected to be within ±0.03 eV of the true non-relativistic, vertical CCSD(T)/CBS limit. Convergence of IP and EA values toward the CBS limit is studied systematically for the Hartree-Fock, MP2 correlation, and beyond-MP2 coupled cluster contributions to the focal point estimates.

  3. Recommending Hartree-Fock theory with London-dispersion and basis-set-superposition corrections for the optimization or quantum refinement of protein structures.

    Science.gov (United States)

    Goerigk, Lars; Collyer, Charles A; Reimers, Jeffrey R

    2014-12-18

    We demonstrate the importance of properly accounting for London dispersion and basis-set-superposition error (BSSE) in quantum-chemical optimizations of protein structures, factors that are often still neglected in contemporary applications. We optimize a portion of an ensemble of conformationally flexible lysozyme structures obtained from highly accurate X-ray crystallography data that serve as a reliable benchmark. We not only analyze root-mean-square deviations from the experimental Cartesian coordinates, but also, for the first time, demonstrate how London dispersion and BSSE influence crystallographic R factors. Our conclusions parallel recent recommendations for the optimization of small gas-phase peptide structures made by some of the present authors: Hartree-Fock theory extended with Grimme's recent dispersion and BSSE corrections (HF-D3-gCP) is superior to popular density functional theory (DFT) approaches. Not only are statistical errors on average lower with HF-D3-gCP, but also the convergence behavior is much better. In particular, we show that the BP86/6-31G* approach should not be relied upon as a black-box method, despite its widespread use, as its success is based on an unpredictable cancellation of errors. Using HF-D3-gCP is technically straightforward, and we therefore encourage users of quantum-chemical methods to adopt this approach in future applications.

  4. Characterisation of Liquefaction Effects for Beyond-Design Basis Safety Assessment of Nuclear Power Plants

    Science.gov (United States)

    Bán, Zoltán; Győri, Erzsébet; János Katona, Tamás; Tóth, László

    2015-04-01

    Preparedness of nuclear power plants to beyond design base external effects became high importance after 11th of March 2011 Great Tohoku Earthquakes. In case of some nuclear power plants constructed at the soft soil sites, liquefaction should be considered as a beyond design basis hazard. The consequences of liquefaction have to be analysed with the aim of definition of post-event plant condition, identification of plant vulnerabilities and planning the necessary measures for accident management. In the paper, the methodology of the analysis of liquefaction effects for nuclear power plants is outlined. The case of Nuclear Power Plant at Paks, Hungary is used as an example for demonstration of practical importance of the presented results and considerations. Contrary to the design, conservatism of the methodology for the evaluation of beyond design basis liquefaction effects for an operating plant has to be limited to a reasonable level. Consequently, applicability of all existing methods has to be considered for the best estimation. The adequacy and conclusiveness of the results is mainly limited by the epistemic uncertainty of the methods used for liquefaction hazard definition and definition of engineering parameters characterizing the consequences of liquefaction. The methods have to comply with controversial requirements. They have to be consistent and widely accepted and used in the practice. They have to be based on the comprehensive database. They have to provide basis for the evaluation of dominating engineering parameters that control the post-liquefaction response of the plant structures. Experience of Kashiwazaki-Kariwa plant hit by Niigata-ken Chuetsu-oki earthquake of 16 July 2007 and analysis of site conditions and plant layout at Paks plant have shown that the differential settlement is found to be the dominating effect in case considered. They have to be based on the probabilistic seismic hazard assessment and allow the integration into logic

  5. Worked Example Effects in Individual and Group Work Settings

    Science.gov (United States)

    Retnowati, Endah; Ayres, Paul; Sweller, John

    2010-01-01

    This study compared the effects of worked example and problem-solving approaches in individual or group work settings on learning to solve geometry problems. One hundred and one seventh graders from Indonesia were randomly allocated to four experimental groups using a 2 (problem-solving vs. worked examples) x 2 (individual vs. group study) design.…

  6. Effect of bitumen emulsion on setting, strength, soundness and ...

    Indian Academy of Sciences (India)

    Unknown

    Effect of bitumen emulsion on setting, strength, soundness and moisture resistance of oxychloride cement. M P S CHANDRAWAT†, T N OJHA and R N YADAV*. Department of Chemistry, R N Ruia Government College, Ramgarh-Shekhawati (Sikar) 331 024, India. †Department of Chemistry, R R Government College, ...

  7. Effect of the distance between disruptive disturbances on the output of powered longwall equipment sets

    Energy Technology Data Exchange (ETDEWEB)

    Kozel, K.K.; Seredyuk, V.L. (L' vovsko-Volynskaya GRE (USSR))

    1991-09-01

    Presents a statistical analysis of data on tectonic disturbances in the L'vovsk-Volynsk black coal basin and their effect on productivity. The effect of disjunctive disturbances on working face advance rate was analyzed on the basis of data on disturbances with stratigraphic amplitudes of 0.9{+-}0.21 m. Dependence of the coefficient of maintained production level on the distance between disjunctive disturbances is shown in graphs for the 1K-101 and GSh-68 longwall equipment sets. Recommendations are made for increasing the advance rate when crossing tectonic disturbances.

  8. Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area

    Directory of Open Access Journals (Sweden)

    A. P. Tsimpidi

    2010-01-01

    Full Text Available New primary and secondary organic aerosol modules have been added to PMCAMx, a three dimensional chemical transport model (CTM, for use with the SAPRC99 chemistry mechanism based on recent smog chamber studies. The new modelling framework is based on the volatility basis-set approach: both primary and secondary organic components are assumed to be semivolatile and photochemically reactive and are distributed in logarithmically spaced volatility bins. This new framework with the use of the new volatility basis parameters for low-NOx and high-NOx conditions tends to predict 4–6 times higher anthropogenic SOA concentrations than those predicted with the older generation of models. The resulting PMCAMx-2008 was applied in Mexico City Metropolitan Area (MCMA for approximately a week during April 2003 during a period of very low regional biomass burning impact. The emission inventory, which uses as a starting point the MCMA 2004 official inventory, is modified and the primary organic aerosol (POA emissions are distributed by volatility based on dilution experiments. The predicted organic aerosol (OA concentrations peak in the center of Mexico City, reaching values above 40 μg m−3. The model predictions are compared with the results of the Positive Matrix Factorization (PMF analysis of the Aerosol Mass Spectrometry (AMS observations. The model reproduces both Hydrocarbon-like Organic Aerosol (HOA and Oxygenated Organic Aerosol (OOA concentrations and diurnal profiles. The small OA underprediction during the rush-hour periods and overprediction in the afternoon suggest potential improvements to the description of fresh primary organic emissions and the formation of the oxygenated organic aerosols, respectively, although they may also be due to errors in the simulation of dispersion and vertical mixing. However, the AMS OOA data are not specific enough to prove that the model reproduces the organic aerosol

  9. Severe deterministic effects of external exposure and intake of radioactive material: basis for emergency response criteria

    International Nuclear Information System (INIS)

    Kutkov, V; Buglova, E; McKenna, T

    2011-01-01

    Lessons learned from responses to past events have shown that more guidance is needed for the response to radiation emergencies (in this context, a 'radiation emergency' means the same as a 'nuclear or radiological emergency') which could lead to severe deterministic effects. The International Atomic Energy Agency (IAEA) requirements for preparedness and response for a radiation emergency, inter alia, require that arrangements shall be made to prevent, to a practicable extent, severe deterministic effects and to provide the appropriate specialised treatment for these effects. These requirements apply to all exposure pathways, both internal and external, and all reasonable scenarios, to include those resulting from malicious acts (e.g. dirty bombs). This paper briefly describes the approach used to develop the basis for emergency response criteria for protective actions to prevent severe deterministic effects in the case of external exposure and intake of radioactive material.

  10. A simple and efficient dispersion correction to the Hartree-Fock theory (2): Incorporation of a geometrical correction for the basis set superposition error.

    Science.gov (United States)

    Yoshida, Tatsusada; Hayashi, Takahisa; Mashima, Akira; Chuman, Hiroshi

    2015-10-01

    One of the most challenging problems in computer-aided drug discovery is the accurate prediction of the binding energy between a ligand and a protein. For accurate estimation of net binding energy ΔEbind in the framework of the Hartree-Fock (HF) theory, it is necessary to estimate two additional energy terms; the dispersion interaction energy (Edisp) and the basis set superposition error (BSSE). We previously reported a simple and efficient dispersion correction, Edisp, to the Hartree-Fock theory (HF-Dtq). In the present study, an approximation procedure for estimating BSSE proposed by Kruse and Grimme, a geometrical counterpoise correction (gCP), was incorporated into HF-Dtq (HF-Dtq-gCP). The relative weights of the Edisp (Dtq) and BSSE (gCP) terms were determined to reproduce ΔEbind calculated with CCSD(T)/CBS or /aug-cc-pVTZ (HF-Dtq-gCP (scaled)). The performance of HF-Dtq-gCP (scaled) was compared with that of B3LYP-D3(BJ)-bCP (dispersion corrected B3LYP with the Boys and Bernadi counterpoise correction (bCP)), by taking ΔEbind (CCSD(T)-bCP) of small non-covalent complexes as 'a golden standard'. As a critical test, HF-Dtq-gCP (scaled)/6-31G(d) and B3LYP-D3(BJ)-bCP/6-31G(d) were applied to the complex model for HIV-1 protease and its potent inhibitor, KNI-10033. The present results demonstrate that HF-Dtq-gCP (scaled) is a useful and powerful remedy for accurately and promptly predicting ΔEbind between a ligand and a protein, albeit it is a simple correction procedure. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. The System for Assessment of the Effectiveness of Personnel Stimulation on the Basis of Integral Index

    Directory of Open Access Journals (Sweden)

    O. K.

    2017-12-01

    Full Text Available The article’s objective is to construct the system for assessment ofpersonnel manage­ ment performance and its testing on a sample o f Ukrainian companies. Problems o f person­ nel stimulation at company level are highlighted. It is proposed to build the mechanism for company personnel stimulation by functional approach. Indicators to be used for assess­ ing the means o f personnel stimulation (material stimulation, organizational stimulation, social and psychological stimulation and personnel management modeling are given. The algorithm for estimating the integral index o f the personnel stimulation effectiveness is recommended. Estimation o f the index o f social and psychological stimulation of company personnel by the proposed method is illustrated. By use o f the proposed algorithm it is demonstrated that the material stimulation (salary rate is the most important determinant o f the highly effective personnel stimulation. The integral index o f the personnel stimulation effectiveness is estimated by correlation and regression analysis for a sample of Ukrainian companies over 2011-2015. On its basis, the companies under study are grouped by level of personnel stimulation. Corrective measures to increase the integral index o f the personnel stimulation effectiveness in each company under study are proposed. The matrix o f correc­ tive measures on personnel stimulation at these companies is constructed and used to find the range o f estimates o f the integral index o f the personnel stimulation effectiveness. The quality o f personnel stimulation mechanism at company level is assessed on the basis o f the estimated integral index o f the personnel stimulation effectiveness.

  12. Pleiotropic effects of statins in the perioperative setting

    Directory of Open Access Journals (Sweden)

    George Galyfos

    2017-01-01

    Full Text Available Statins belong to a specific group of drugs that have been described for their ability to control hyperlipidemia as well as for other pleiotropic effects such as improving vascular endothelial function, inhibition of oxidative stress pathways, and anti-inflammatory actions. Accumulating clinical evidence strongly suggests that statins also have a beneficial effect on perioperative morbidity and mortality. Therefore, this review aims to present all recent and pooled data on statin treatment in the perioperative setting as well as to highlight considerations regarding their indications and therapeutic application.

  13. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.

    Science.gov (United States)

    Huang, Xinchuan; Valeev, Edward F; Lee, Timothy J

    2010-12-28

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H(2)O, N(2)H(+), NO(2)(+), and C(2)H(2) molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N(2)H(+) where it is concluded that basis set extrapolation is still preferred. The differences for H(2)O and NO(2)(+) are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C(2)H(2), however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)(R12), incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N(2)H(+) and NO(2)(+) were computed, including basis set extrapolation, core-correlation, scalar

  14. Neural basis of the undermining effect of monetary reward on intrinsic motivation

    Science.gov (United States)

    Murayama, Kou; Matsumoto, Madoka; Izuma, Keise; Matsumoto, Kenji

    2010-01-01

    Contrary to the widespread belief that people are positively motivated by reward incentives, some studies have shown that performance-based extrinsic reward can actually undermine a person's intrinsic motivation to engage in a task. This “undermining effect” has timely practical implications, given the burgeoning of performance-based incentive systems in contemporary society. It also presents a theoretical challenge for economic and reinforcement learning theories, which tend to assume that monetary incentives monotonically increase motivation. Despite the practical and theoretical importance of this provocative phenomenon, however, little is known about its neural basis. Herein we induced the behavioral undermining effect using a newly developed task, and we tracked its neural correlates using functional MRI. Our results show that performance-based monetary reward indeed undermines intrinsic motivation, as assessed by the number of voluntary engagements in the task. We found that activity in the anterior striatum and the prefrontal areas decreased along with this behavioral undermining effect. These findings suggest that the corticobasal ganglia valuation system underlies the undermining effect through the integration of extrinsic reward value and intrinsic task value. PMID:21078974

  15. The Dirac equation in the algebraic approximation. IX. Matrix Dirac-Hartree-Fock calculations for the HeH and BeH ground states using distributed Gaussian basis sets

    NARCIS (Netherlands)

    Quiney, HM; Glushkov, VN; Wilson, S

    2004-01-01

    Using large component basis sets of distributed s-type Gaussian functions with positions and exponents optimized so as to support Hartree-Fock total energies with an accuracy approaching the sub-muhartree level, Dirac-Hartree-Fock-Coulomb calculations are reported for the ground states of the

  16. What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)

    Czech Academy of Sciences Publication Activity Database

    Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.

    2011-01-01

    Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011

  17. Physical basis of adverse and therapeutic effects of low intensity microwave radiation.

    Science.gov (United States)

    Hyland, G J

    2008-05-01

    A physical basis of adverse and therapeutic effects of low intensity microwave radiation is presented based on the concept of oscillatory similitude between the frequency of an external microwave field (together with any lower frequency modulations thereof) and those of certain endogenous dipolar coherent excitations allied to aliveness, which play the role of 'tuned circuits' via which a living organism is electromagnetically sensitised in a non-linear way to external fields too weak to be able to cause heating. From this perspective, an external electromagnetic field affects a living system not as a toxin but rather by perturbing its endogenous electromagnetic activity. The possibility of adverse perturbation is illustrated by reference to the microwave fields used in mobile telecommunications whose signals interfere in a non-thermal way with biofunctionality--in particular, undermining the efficacy of processes that would otherwise afford natural protection against the development of pathology. Therapeutic modalities of microwave exposure, on the other hand, are illustrated using the example of microwave resonance therapy--which can be considered as an electromagnetic version of acupuncture, and as an example of 'quantum medicine'--whose normalising effect on a wide range of pathologies is striking, and which affords a novel alternative to conventional pharmacological interventions.

  18. Modeling Radiation Effects of Ultrasoft X Rays on the Basis of Amorphous Track Structure.

    Science.gov (United States)

    Buch, Tamara; Scifoni, Emanuele; Krämer, Michael; Durante, Marco; Scholz, Michael; Friedrich, Thomas

    2018-01-01

    There is experimental evidence that ultrasoft X rays (0.1-5 keV) show a higher biological effectiveness than high-energy photons. Similar to high-LET radiation, this is attributed to a rather localized dose distribution associated with a considerably smaller range of secondary electrons, which results in an increasing yield of double-strand breaks (DSBs) and potentially more complex lesions. We previously reported on the application of the Giant LOop Binary LEsion (GLOBLE) model to ultrasoft X rays, in which experimental values of the relative biological effectiveness (RBE) for DSB induction were used to show that this increasing DSB yield was sufficient to explain the enhanced effectiveness in the cell inactivation potential of ultrasoft X rays. Complementary to GLOBLE, we report here on a modeling approach to predict the increased DSB yield of ultrasoft X rays on the basis of amorphous track structure formed by secondary electrons, which was derived from Monte Carlo track structure simulations. This procedure is associated with increased production of single-strand break (SSB) clusters, which are caused by the highly localized energy deposition pattern induced by low-energy photons. From this, the RBE of ultrasoft X rays can be determined and compared to experimental data, showing that the inhomogeneity of the energy deposition pattern represents the key variable to describe the increased biological effectiveness of ultrasoft X rays. Thus, this work demonstrates an extended applicability of the amorphous track structure concept and tests its limits with respect to its predictive power. The employed model mechanism offers a possible explanation for how the cellular response to ultrasoft X rays is directly linked to the energy deposition properties on the nanometric scale.

  19. Competitive Advantages of Effective Relationships of Business Entities as a Basis for Economic Development of Ukraine

    Directory of Open Access Journals (Sweden)

    Butenko Nataliia V.

    2016-11-01

    Full Text Available The aim of the article is to determine the transformation of sense of relationships between business entities in the national economy as well as basic ideas and principles of forming competitive advantages of effective relationships. The objective preconditions for the transition from the confrontation strategy to relationships as a basis of interaction of business entities in the structure of the national economy are analyzed. It is determined that the weakening of the antagonistic dominant of competitive relations and the growing importance of a constructive component of partnership has become a background of the desire of business entities to establish effective relationships. The attention is focused on the trends of the cooperation and integration approach to competitive behavior, which is manifested in such forms of competitive interactions as coordination, constructive interaction and competitive collaboration in order to achieve individual and common goals of competitive relationships of the entities. The competitive advantages based on establishing long-term and effective relationships are considered. The peculiarities in the formation of the system of relationships in the insurance market are justified, in particular the causes hindering the development of relationships in the sphere of security are determined, the main partners — entities in the system of relationships in the insurance market are identified, the levels of relationships management in the insurance market are determined. Among the advantages of the use of effective relationships in the field of insurance are the following: improving the company’s image, attracting new customers, additional sales of insurance services, limiting the access of competitors’ offers, more efficient use of the advertising budget, improving the efficiency of the development of new insurance products and services, increasing the profits and value of brands, improving relations with

  20. [Inhibitory effects and chemical basis of Eucalyptus orelliana wood meals on the growth of Alexandrium tamarense].

    Science.gov (United States)

    Yang, Wei-dong; Liu, Yu-rong; Liu, Jie-sheng; Liu, Zheng

    2008-08-01

    To provide information on the screen of newly and efficient algaecides in controlling harmful algal blooms (HABs), the effects of wood meals from Eucalyptus torelliana, Eucalyptus urophylla, Eucalyptus exserta on the growth of Alexandrium tamarense were observed and the chemical basis of the antialgal effect was discussed. The results show that the inhibitory activities of the three wood meals are different, and E. torelliana wood meals have the highest inhibitory activity. There are little differences in antialgal action between asepsis and rude wood meals, suggesting that some antialgal compounds from wood meals may be responsible for the inhibition and that microorganisms from wood meals have little effect on the inhibition. The acetone-water extract from E. torelliana wood meals is shown to have stronger inhibition on A. tamarense than that from ethyl acetate, water and methanol extracts. The acetone-water extract from E. torelliana wood meals was further divided into extract A, B, C and D and the inhibitory activities were compared. The extract D is shown to have highest inhibitory activity. 3 mg/L of the extract appears 81% inhibition rate to A. tamarense in the 3rd day. GC-MS show that extract D contains mostly ketones such as 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one and 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone. These results suggest that wood meals from E. torelliana had certain inhibitory effect on A. tamarense, and that ketones may be responsible for the inhibition.

  1. Neural basis of music imagery and the effect of musical expertise.

    Science.gov (United States)

    Herholz, Sibylle C; Lappe, Claudia; Knief, Arne; Pantev, Christo

    2008-12-01

    Although the influence of long-term musical training on the processing of heard music has been the subject of many studies, the neural basis of music imagery and the effect of musical expertise remain insufficiently understood. By means of magnetoencephalography (MEG) we compared musicians and nonmusicians in a musical imagery task with familiar melodies. Subjects listened to the beginnings of the melodies, continued them in their imagination and then heard a tone which was either a correct or an incorrect further continuation of the melody. Only in musicians was the imagery of these melodies strong enough to elicit an early preattentive brain response to unexpected incorrect continuations of the imagined melodies; this response, the imagery mismatch negativity (iMMN), peaked approximately 175 ms after tone onset and was right-lateralized. In contrast to previous studies the iMMN was not based on a heard but on a purely imagined memory trace. Our results suggest that in trained musicians imagery and perception rely on similar neuronal correlates, and that the musicians' intense musical training has modified this network to achieve a superior ability for imagery and preattentive processing of music.

  2. On the property of being a basis for a denumerable set of solutions of a nonlinear Schroedinger-type boundary-value problem

    International Nuclear Information System (INIS)

    Zhidkov, P.E.

    1998-01-01

    We consider the problem u''=f(u 2 )u (0 2 ) (for r→∞) = -∞. It is known that this problem possesses a sequence of solutions {u n } n=0,1,2... such that the nth solution u x (x) has precisely n roots in the interval (0,1). We prove the existence of a constant s 0 0 , an arbitrary above-described sequence of solutions of our problem is a basis of the space H s (0, 1)

  3. ADVANCED PROCEDURE FOR THE MONITORING OF SETTLEMENT AND OPEN SPACE DEVELOPMENT ON BASIS OF TOPOGRAPHICAL GEODATA SETS IN THE IOER-MONITOR

    Directory of Open Access Journals (Sweden)

    G. Meinel

    2012-08-01

    Full Text Available Concept, Procedures and Results of the Monitor of settlement and open space development are presented. The monitoring system will describe the state and the development of land use especially in regard to its sustainability for the entire Federal Republic of Germany. To this end, for the first time ever it makes use of topographical geobasis data (digital landscape model of the Authoritative Topographic-Cartographic Information System, short ATKIS. These data allow for a more precise spatial and contentwise description of land use than that of the land register data, which serve as the basis for the official land use statistics. On the basis of the geobasis data an automatic calculation of indicators from the fields of settlement, open space, nature reserves, population, traffic occurs and landscape fragmentation. The indicators are depicted in thematic maps, thus allowing for spatial and chronological comparisons. In addition to administrative spatial units (federal state, region, district, municipality, the indicator values are also presented in scales of various cell widths. For calculating building-based settlement indicators, the patented program SEMENTA® is used, which is based on an automated evaluation of analogue maps.

  4. Biological effect of radiation. Basis for understanding the risk of Fukushima nuclear accident

    International Nuclear Information System (INIS)

    Imaoka, Tatsuhiko

    2011-01-01

    The radionuclide release in the Fukushima Nuclear Accident has induced a tremendous anxiety on possible health effects of low dose radiation. When radiation hits a cell in an organism, it may induce DNA damages which, if not repaired properly, lead to either cell death or genetic mutation. If function of the tissue is lost as a result of cell death, various tissue responses including dysfunction of hematopoietic tissues, sterility and skin responses may occur; these responses are not manifested if the radiation dose is low enough. Genetic mutation is considered to occur, albeit at a low frequency, even if the radiation dose is very small. Cancer is a result of genetic mutation and its probability is considered to rise, albeit slightly, if radiation induces a small amount of additional mutations. These assumptions lead to a notion that there is no 'safety dose' below which radiation does not cause any cancer. On the other hand, the study of atomic bomb survivors of Hiroshima and Nagasaki provides the most reliable quantitative information on the relationship between radiation dose and accompanying increase in cancer risk. The analysis so far indicates that cancer risk increases by 0.5-fold, compared to a background level, if a human body is exposed to 1 sievert of radiation; at lower doses, the risk is proportional to the dose, but it is impossible to detect cancer risk associated with 100 milli sievert of exposure because of statistical limitations. Although exposure to atomic bomb radiation occurred in a very little instance, the current situation poses a prolonged (i.e., low dose rate) exposure, probably resulting in still lower cancer risk. Still, since current radiation exposure has no benefit, unlike that in medical situations, it is important to reduce it to a level as low as reasonably achievable. I will explain the biological effect of radiation, including its mechanistic basis and effects on the human body, and wish to help the audience to

  5. Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa

    Energy Technology Data Exchange (ETDEWEB)

    Han, Seungil; Zaniewski, Richard P.; Marr, Eric S.; Lacey, Brian M.; Tomaras, Andrew P.; Evdokimov, Artem; Miller, J. Richard; Shanmugasundaram, Veerabahu (Pfizer)

    2012-02-08

    Pseudomonas aeruginosa is an opportunistic Gram-negative pathogen that causes nosocomial infections for which there are limited treatment options. Penicillin-binding protein PBP3, a key therapeutic target, is an essential enzyme responsible for the final steps of peptidoglycan synthesis and is covalently inactivated by {beta}-lactam antibiotics. Here we disclose the first high resolution cocrystal structures of the P. aeruginosa PBP3 with both novel and marketed {beta}-lactams. These structures reveal a conformational rearrangement of Tyr532 and Phe533 and a ligand-induced conformational change of Tyr409 and Arg489. The well-known affinity of the monobactam aztreonam for P. aeruginosa PBP3 is due to a distinct hydrophobic aromatic wall composed of Tyr503, Tyr532, and Phe533 interacting with the gem-dimethyl group. The structure of MC-1, a new siderophore-conjugated monocarbam complexed with PBP3 provides molecular insights for lead optimization. Importantly, we have identified a novel conformation that is distinct to the high-molecular-weight class B PBP subfamily, which is identifiable by common features such as a hydrophobic aromatic wall formed by Tyr503, Tyr532, and Phe533 and the structural flexibility of Tyr409 flanked by two glycine residues. This is also the first example of a siderophore-conjugated triazolone-linked monocarbam complexed with any PBP. Energetic analysis of tightly and loosely held computed hydration sites indicates protein desolvation effects contribute significantly to PBP3 binding, and analysis of hydration site energies allows rank ordering of the second-order acylation rate constants. Taken together, these structural, biochemical, and computational studies provide a molecular basis for recognition of P. aeruginosa PBP3 and open avenues for future design of inhibitors of this class of PBPs.

  6. Battery life of portable home ventilators: effects of ventilator settings.

    Science.gov (United States)

    Falaize, Line; Leroux, Karl; Prigent, Hélène; Louis, Bruno; Khirani, Sonia; Orlikowski, David; Fauroux, Brigitte; Lofaso, Frédéric

    2014-07-01

    The battery life (BL) of portable home ventilator batteries is reported by manufacturers. The aim of this study was to evaluate the effects of ventilator mode, breathing frequency, PEEP, and leaks on the BL of 5 commercially available portable ventilators. The effects of the ventilator mode (volume controlled-continuous mandatory ventilation [VC-CMV] vs pressure support ventilation [PSV]), PEEP 5 cm H2O, breathing frequency (10, 15, and 20 breaths/min), and leaks during both volume-targeted ventilation and PSV on the BL of 5 ventilators (Elisée 150, Monnal T50, PB560, Vivo 50, and Trilogy 100) were evaluated. Each ventilator was ventilated with a test lung at a tidal volume of 700 ml and an inspiratory time of 1.2 s in the absence of leaks. Switching from PSV to VC-CMV or the addition of PEEP did not significantly change ventilator BL. The increase in breathing frequency from 10 to 20 breaths/min decreased the BL by 18 ± 11% (P = .005). Leaks were associated with an increase in BL during the VC-CMV mode (18 ± 20%, P = .04) but a decrease in BL during the PSV mode (-13 ± 15%, P = .04). The BL of home ventilators depends on the ventilator settings. BL is not affected by the ventilator mode (VC-CMV or PSV) or the addition of PEEP. BL decreases with an increase in breathing frequency and during leaks with a PSV mode, whereas leaks increase the duration of ventilator BL during VC-CMV. Copyright © 2014 by Daedalus Enterprises.

  7. Effectiveness of MAP Goal Setting on Reading for Middle School

    Science.gov (United States)

    Empirical Education Inc., 2010

    2010-01-01

    Student goal setting and academic planning has been a major focus for PUSD, with the aim of increasing the level of student engagement and student ownership over their learning. Goal setting has been implemented in conjunction with the Northwest Evaluation Association's Measure of Academic Progress (MAP) tests, which provide educators with a tool…

  8. Training candidate selection for effective out-of-set rejection in robust open-set language identification.

    Science.gov (United States)

    Zhang, Qian; Hansen, John H L

    2018-01-01

    Research in open-set language identification (LID) generally focuses on in-set language modeling versus out-of-set (OOS) language rejection. However, unknown/OOS language rejection is essential for effective speech and language pre-processing. To address this, an approach for OOS language selection is proposed. Using probe OOS data, three effective OOS candidate selection methods are developed for universal OOS language coverage. The selected OOS candidates are expected to reflect the entire OOS language space for the state-of-the-art i-vector LID system followed by a Gaussian back-end. Two front-end feature selection strategies are proposed: (i) unsupervised k-means clustering and (ii) complementary candidate selection. Also, (iii) general candidate selection is proposed according to language relationship explored at the score level. All methods are evaluated on a large-scale corpus (LRE-09) containing 40 languages. The proposed selection methods reduce OOS training data diversity by 86% while achieving performance similar to closed-set using all probe OOS for training. The proposed methods also show clear benefits versus random candidate selection (i.e., the proposed solutions achieve sustained performance while employing a minimum number of effective OOS language candidates). To the best of our knowledge, this is the first major effort on effective OOS language selection and enhancement for improved OOS rejection in open-set LID.

  9. Defining Effectiveness Using Finite Sets A Study on Computability

    DEFF Research Database (Denmark)

    Macedo, Hugo Daniel dos Santos; Haeusler, Edward H.; Garcia, Alex

    2016-01-01

    finite sets and uses category theory as its mathematical foundations. The model relies on the fact that every function between finite sets is computable, and that the finite composition of such functions is also computable. Our approach is an alternative to the traditional model-theoretical based works...... which rely on (ZFC) set theory as a mathematical foundation, and our approach is also novel when compared to the already existing works using category theory to approach computability results. Moreover, we show how to encode Turing machine computations in the model, thus concluding the model expresses...

  10. Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Girones, X.; Carbó-Dorca, R.

    2002-01-01

    Roč. 42, č. 3 (2002), s. 564-570 ISSN 0095-2338 R&D Projects: GA MŠk OC D9.20 Keywords : linear free energy relationships * molecular basis * nature of inductive Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.902, year: 2002

  11. Effect of bitumen emulsion on setting, strength, soundness and ...

    Indian Academy of Sciences (India)

    Addition of bitumen emulsion to the matrix has been found to improve strength and soundness of the product while decreasing the initial setting periods. Thus, bitumen emulsion as an admixture in magnesia cement is a moisture proofing and strengthening material.

  12. Effect of amusement park rides on programmable shunt valve settings.

    Science.gov (United States)

    Strahle, Jennifer; Collins, Kelly; Stetler, William R; Smith, Brandon W; Garton, Thomas; Garton, Catherine; Garton, Hugh J L; Maher, Cormac O

    2013-01-01

    Magnetically programmable shunt valves are susceptible to environmental factors including magnetic fields and accelerative forces. It is unknown if rollercoasters with or without magnetic brakes or linear induction motors (LIMs) are capable of altering the setting of a programmable shunt valve. Two different valve types (type A, n = 10; type B, n = 9) were tested at varying resistance settings in 2 trials on 6 different amusement park rides including 2 rides with LIMs, 2 rides with magnetic brakes, and 2 rides without magnetic technology. The performance level of valve type A and the setting of valve type B changed on rollercoasters with magnets (A = 2.5% [2/80]; B = 5.6% [4/72]) and without magnets (A = 7.5% [3/40]; B = 2.8% [1/36]). Neither valve setting changed when exposed to a Ferris wheel or during ambulation throughout the park. Magnetically programmable valves are susceptible to changes in pressure settings when exposed to amusement park rides with elevated vertical gravitational forces, irrespective of the presence of LIMs or magnetic brakes. © 2013 S. Karger AG, Basel.

  13. Computerized Testing in a Hospital Setting: Psychometric and Psychological Effects.

    Science.gov (United States)

    Peterson, Leif; And Others

    1996-01-01

    This Swedish study sought to evaluate a touch-screen computer-based (CB) test administration system in a hospital setting in comparison with paper-and-pencil administrative routine. Patients were given psychometric tests (involving depression, mood, and intelligence measurement) in both formats. Patient pleasantness, activation, and calmness were…

  14. How Can Nurse Teachers Be More Effective in Practice Settings?

    Science.gov (United States)

    Davies, Susan; And Others

    1996-01-01

    Interviews with nursing students, practitioners, and educators in England and case studies of clinical experience in adult and mental health settings revealed a need for teachers to negotiate and clarify roles with practitioners and students and to provide practitioners with relevant information about their courses. A lack of trust and respect…

  15. Constitutional Basis for the Enforcement of ''Executive'' Policies that give effect to Socio-Economic Rights in South Africa

    Directory of Open Access Journals (Sweden)

    Oliver Njuh Fuo

    2013-12-01

    Full Text Available Although "executive" policies remain an important governance tool, there appears to be confusion on the status and possible basis for their judicial enforcement in South Africa. The aim of this article is to critically reflect on the status and possible constitutional basis for the enforceability of "executive" policies that give effect to socio-economic rights in South Africa. Based on the jurisprudence of courts and some examples of "executive" policies, this article demonstrates that the constitutional basis for the enforceability of "executive" policies could be located inter alia in the positive duties imposed on government by sections 24(b, 25(5, 26(2 and 27(2 of the Constitution to "take reasonable legislative and other measures" within the context of available resources to give effect to relevant rights. This article argues that these duties amount to a constitutional delegation of authority to the legislative and executive branches of government to concretise socio-economic rights. In addition, this article demonstrates that where "executive" policies give effect to socio-economic rights pursuant to powers delegated by enabling provisions in original legislation that covers the field of socio-economic rights, such policies may be perceived to have the force of law, thereby providing a legal basis for their judicial enforcement.

  16. [Effect of the setting on therapeutic verbalization of affects].

    Science.gov (United States)

    Hölzer, M; Scheytt, N; Mergenthaler, E; Kächele, H

    1994-11-01

    In psychotherapy research vocabulary measures are still an exception, although clinically relevant hypotheses might well be investigated by means of those measures. The affective vocabulary seems to be particularly apt to serve as an indicator of psychotherapeutic processes, since the "processing of emotions" can be regarded as a crucial part of any kind of psychotherapy. The emotion theory of Dahl and a classification schema derived from DeRivera will be explained in the text. The development of the Affective Dictionary Ulm (ADU), a computer measure for evaluation of affective vocabulary was based on this classification system. The distinction between two important categories of emotions, it-emotions (like anger) referring to wishes about objects, and me-emotions (like depression) reflecting self states, i.e. beliefs about the status of wish fulfillment, will be explained. The study described focuses on the affective vocabulary of one psychotherapist in three different settings: initial interviews, short term therapy and psychoanalysis. It can be demonstrated, that the "intensity" of the setting significantly positively correlates with the use of words indicating object (or it-) emotions. According to the transference paradigm, these results suggest, that the intensification of psychodynamic settings lead to an increasing work on help to regulate object relationships.

  17. Structural basis of human PR/SET domain 9 (PRDM9) allele C-specific recognition of its cognate DNA sequence.

    Science.gov (United States)

    Patel, Anamika; Zhang, Xing; Blumenthal, Robert M; Cheng, Xiaodong

    2017-09-29

    PRDM9 is the only mammalian gene that has been associated with speciation. The PR/SET domain 9 (PRDM9) protein is a major determinant of meiotic recombination hot spots and acts through sequence-specific DNA binding via its C2H2 zinc finger (ZF) tandem array, which is highly polymorphic within and between species. The most common human variant, PRDM9 allele A (PRDM9a), contains 13 fingers (ZF1-13). Allele C (PRDM9c) is the second-most common among African populations and differs from PRDM9a by an arginine-to-serine change (R764S) in ZF9 and by replacement of ZF11 with two other fingers, yielding 14 fingers in PRDM9c. Here we co-crystallized the six-finger fragment ZF8-13 of PRDM9c, in complex with an oligonucleotide representing a known PRDM9c-specific hot spot sequence, and compared the structure with that of a characterized PRDM9a-specific complex. There are three major differences. First, Ser 764 in ZF9 allows PRDM9c to accommodate a variable base, whereas PRDM9a Arg 764 recognizes a conserved guanine. Second, the two-finger expansion of ZF11 allows PRDM9c to recognize three-base-pair-longer sequences. A tryptophan in the additional ZF interacts with a conserved thymine methyl group. Third, an Arg-Asp dipeptide immediately preceding the ZF helix, conserved in two PRDM9a fingers and three PRDM9c fingers, permits adaptability to variations from a C:G base pair (G-Arg interaction) to a G:C base pair (C-Asp interaction). This Arg-Asp conformational switch allows identical ZF modules to recognize different sequences. Our findings illuminate the molecular mechanisms for flexible and conserved binding of human PRDM9 alleles to their cognate DNA sequences. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  18. The physical and radiobiological basis of the Local Effect Model (LEM) A response to the commentary by R. Katz

    CERN Document Server

    Scholz, M; The Physics of Quantum Electronics

    2004-01-01

    The physical and biological basis of our model to calculate the biological effects of charged particles, termed local effect model (LEM), has been recently questioned in a commentary by R. Katz. Major objections were related to the definition of the target size and the use of the term cross section. Here we show that the objections raised against our approach are unjustified and largely based on serious misunderstandings of the conceptual basis of the local effect model. Furthermore, we show that the approach developed by Katz and coworkers itself suffers from exactly those deficiencies, for which Katz criticises our model. The essential conceptual differences between the two models are discussed by means of some illustrative examples, based on a comparison with experimental data. For these examples, the predictions of the LEM model are fully consistent with the experimental data. Contrarily, e.g. for very heavy ions there are significant discrepancies observed for the Katz approach. These discrepancies can b...

  19. COST ANALYSIS OF TUBERCULOSIS CONTROL ACTIVITIES CENTERED AT THE PATIENT AND PERFORMED ON THE OUT-PATIENT BASIS IN THE URBAN SETTINGS

    Directory of Open Access Journals (Sweden)

    I. E. Gelmanova

    2016-01-01

    Full Text Available Costs of out-patient patient-centered activities introduced into the existing standard model of the tuberculosis treatment have been evaluated in Tomsk TB Service. Additional measures enhancing compliance in the patients included the following: timely detection and management of side effects of chemotherapy, social support to the patients, treatment at home, psychological support and treatment by the Sputnik team of most socially vulnerable patients.The average additional costs for the patient-centered activities per 1 patient treated as per regimens I, II, III made 1367 RUR a month; per 1 PR TB patient – 2978 RUR; and per regimen IV – 4865 RUR. Patient-centered activities performed during the out-patient stage of treatment made 7% out of the total treatment costs for regimens I, II, III; 14% when treating polyresistant TB; and 16% for regimen IV. 

  20. Description of nuclear structure and cross sections for nucleon-nucleus scattering on the basis of effective Skyrme forces

    International Nuclear Information System (INIS)

    Kuprikov, V. I.; Pilipenko, V. V.; Soznik, A. P.; Tarasov, V. N.; Shlyakhov, N. A.

    2009-01-01

    The possibility of constructing such new versions of effective nucleon-nucleon forces that would make it possible to describe simultaneously the cross sections for nucleon-nucleus scattering and quantities characterizing nuclear matter and the structure of finite even-even nuclei is investigated on the basis of a microscopic nucleon-nucleus optical potential that is calculated by using effective Skyrme interaction. A procedure for optimizing the parameters of Skyrme forces by employing fits to specific angular distributions for neutron-nucleus scattering and by simultaneously testing the features of nuclear matter, the binding energy of the target nucleus, and its proton root-mean-square radius is proposed. A number of versions of modified Skyrme forces that ensure a reasonable description of both nucleon-nucleus scattering and the properties of nuclear structure are found on the basis of this procedure.

  1. A DNC function that computes no effectively bi-immune set

    OpenAIRE

    Beros, Achilles A.

    2013-01-01

    In Diagonally Non-Computable Functions and Bi-Immunity, Carl Jockusch and Andrew Lewis proved that every DNC function computes a bi-immune set. They asked whether every DNC function computes an effectively bi-immune set. We construct a DNC function that computes no effectively bi-immune set, thereby answering their question in the negative.

  2. Methods to Increase Educational Effectiveness in an Adult Correctional Setting.

    Science.gov (United States)

    Kuster, Byron

    1998-01-01

    A correctional educator reflects on methods that improve instructional effectiveness. These include teacher-student collaboration, clear goals, student accountability, positive classroom atmosphere, high expectations, and mutual respect. (SK)

  3. Odontogenic effects of a fast-setting calcium-silicate cement containing zirconium oxide.

    Science.gov (United States)

    Kim, Kyoung-A; Yang, Yeon-Mi; Kwon, Young-Sun; Hwang, Yun-Chan; Yu, Mi-Kyung; Min, Kyung-San

    2015-01-01

    A fast-setting calcium-silicate cement (Endocem) was introduced in the field of dentistry for use in vital pulp therapy. Similar to mineral trioxide aggregate (MTA), it contains bismuth oxide to provide radiopacity. Recently, another product, EndocemZr, which contains zirconium oxide (ZrO2) as a radiopacifier, was developed by the same company. In this study, the biological/odontogenic effects of EndocemZr were investigated in human primary dental pulp cells (hpDPCs) in vitro and on capped rat teeth in vivo. The biocompatibility of EndocemZr was similar to that of ProRoot and Endocem on the basis of cell viability tests and cell morphological analysis. The mineralization nodule formation, expression of odontogenic-related markers, and reparative dentin formation of EndocemZr group was similar to those of other material groups. Our results suggest that EndocemZr has the potential to be used as an effective material for vital pulp therapy, similar to ProRoot and Endocem.

  4. Lateral Percolation and Its Effect on Shale Gas Accumulation on the Basis of Complex Tectonic Background

    Directory of Open Access Journals (Sweden)

    Kun Zhang

    2018-01-01

    Full Text Available As a result of complex tectonic background, shale gas in China exhibits differential enrichment. Choosing a favorable exploration target accurately is a crucial problem to be solved. In this study, the tests show that there is a superior transportation pathway within shale layer. Gas in the shale layer percolates much more in the direction parallel to the plane. Therefore, the accumulation pattern of shale gas indicates a complex tectonic background. Gas in the lower part of the structure diffuses and percolates in the vertical direction into the surrounding rock. Most gas percolates towards the high part of the structure in the direction parallel to the plane. When the shale was exposed, gas percolated along the parallel direction into the air. In the case of fracture development, if there is a reverse fault, gas would be enriched in the footwall. However, if there is an unsealed fault, it would become a pathway for gas migration. The above accumulation pattern was proved in several Areas. Also, this research presented a basis of evaluation units division. According to the buried depth, fractures, and structural position, Xiuwu Basin was divided into five evaluation units and Unit A3 is the most favorable exploration target.

  5. Molecular basis for the mutagenic and lethal effects of ultraviolet irradiation. Research accomplishments (1968 to present)

    International Nuclear Information System (INIS)

    Grossman, L.

    1978-01-01

    Earlier work on the chemical basis of mutagenesis led to certain chemical generalities sufficient to explain how certain mutagens such as uv light and hydroxylamine functioned in information transfer systems (replicative, transcriptive and translational). When such modifications were applied to biologically active DNA in a controlled manner biological expression was non-stoichiometric because much of the damage was removed from the DNA by repair systems. Our efforts were then directed to these systems which led to: (1) the isolation, purification and characterization of endonucleases responsible for the first and controlling step in DNA repair - referred to as incision in both M. luteus and E. coli. The biological role of these enzymes was inferred in appropriate mutants; (2) the isolation, purification and characterization of exonucleases responsible for the removal or excision of damaged nucleotides in M. luteus and human placental trophoblasts; (3) the repair of uv damaged biologically active transforming and transfecting DNAs by purified endonucleases, exonucleases, DNA polymerase I and polynucleotide ligase from M. luteus and E. coli; (4) the characterization of the dual gene control for incision phenomenon in M. luteus and E. coli; and (5) isolation, purification and characterization of repair enzymes from human placenta

  6. Effectiveness of Relationship Marketing Tactics in a University Setting

    Science.gov (United States)

    Trocchia, Philip J.; Finney, R. Zachary; Finney, Treena Gillespie

    2013-01-01

    We test the correlation between student perception of three university relationship-building tactics--commercial friendships, preferential treatment, and tangible rewards--with university student satisfaction. We also test whether two student characteristics--enduring involvement with education and sense of entitlement--have a moderating effect on…

  7. An effective filter for IBD detection in large data sets.

    KAUST Repository

    Huang, Lin

    2014-03-25

    Identity by descent (IBD) inference is the task of computationally detecting genomic segments that are shared between individuals by means of common familial descent. Accurate IBD detection plays an important role in various genomic studies, ranging from mapping disease genes to exploring ancient population histories. The majority of recent work in the field has focused on improving the accuracy of inference, targeting shorter genomic segments that originate from a more ancient common ancestor. The accuracy of these methods, however, is achieved at the expense of high computational cost, resulting in a prohibitively long running time when applied to large cohorts. To enable the study of large cohorts, we introduce SpeeDB, a method that facilitates fast IBD detection in large unphased genotype data sets. Given a target individual and a database of individuals that potentially share IBD segments with the target, SpeeDB applies an efficient opposite-homozygous filter, which excludes chromosomal segments from the database that are highly unlikely to be IBD with the corresponding segments from the target individual. The remaining segments can then be evaluated by any IBD detection method of choice. When examining simulated individuals sharing 4 cM IBD regions, SpeeDB filtered out 99.5% of genomic regions from consideration while retaining 99% of the true IBD segments. Applying the SpeeDB filter prior to detecting IBD in simulated fourth cousins resulted in an overall running time that was 10,000x faster than inferring IBD without the filter and retained 99% of the true IBD segments in the output.

  8. Economic communication model set

    Science.gov (United States)

    Zvereva, Olga M.; Berg, Dmitry B.

    2017-06-01

    This paper details findings from the research work targeted at economic communications investigation with agent-based models usage. The agent-based model set was engineered to simulate economic communications. Money in the form of internal and external currencies was introduced into the models to support exchanges in communications. Every model, being based on the general concept, has its own peculiarities in algorithm and input data set since it was engineered to solve the specific problem. Several and different origin data sets were used in experiments: theoretic sets were estimated on the basis of static Leontief's equilibrium equation and the real set was constructed on the basis of statistical data. While simulation experiments, communication process was observed in dynamics, and system macroparameters were estimated. This research approved that combination of an agent-based and mathematical model can cause a synergetic effect.

  9. Effectiveness of Advanced Stay Strong, Stay Healthy in Community Settings

    Directory of Open Access Journals (Sweden)

    Emily M. Crowe MS

    2015-07-01

    Full Text Available The goal of this research was to investigate the effectiveness of the 10-week, University of Missouri (MU Extension strength training program Advanced Stay Strong, Stay Healthy (ASSSH. It was hypothesized that the program can improve strength, balance, agility, and flexibility—all physical measures of falling among seniors. Matched pair t tests were used to compare differences in five physical measures of health, body composition, and percent body fat (%BF. Two-way ANOVA was conducted to examine the age effects on changes in physical health from the start and finish of the exercise program. Following programming, participants significantly improved strength, flexibility, and balance, and significantly reduced %BF ( p < .05. Our data indicate that ASSSH can improve the physical health of senior citizens and can successfully be translated into community practice by MU Extension professionals.

  10. Effects of ability level compositions in cooperative learning settings

    OpenAIRE

    Bird, Wesley Lee

    1993-01-01

    The use of cooperative learning as an instructional procedure for delivering instruction has become popular among many educators. Research in cooperative learning has provided positive indicators for improvement in academic achievement and attitudes towards self, peers, and school. Little research has been performed on the type of students that compose these groups. The purpose of this study was to investigate the effects of homogeneous and heterogeneous ability created groups on individua...

  11. Art viewing directives in hospital settings effect on mood.

    Science.gov (United States)

    Ho, Rainbow T H; Potash, Jordan S; Fang, Fan; Rollins, Judy

    2015-01-01

    The purpose of this study was to determine the effect viewing directives can have when encountering art in hospitals. A secondary objective of the study was to understand the responses of viewers to an art exhibit on the theme of medical student empathy toward patient pain and suffering. Displaying art in hospitals has been credited with increasing well-being of patients, visitors, and staff. Generally, hospital curators have focused on the type of art to display (natural, symbolic, and abstract). This focus has neglected the possibility that in addition to the type of art, the way that viewers engage art may also be responsible for the healing effect. Participants (n = 97) were randomly allocated into one of the viewing directives: (1) reflecting on one artwork, (2) creating a drawing or poem in response to one artwork, or (3) no direction. Prior to looking at the art and immediately after, participants were administered the Brief Mood Introspection Scale (BMIS) and offered an opportunity to participate in an interview. Pre-post results of the BMIS demonstrated that viewers who received directions achieved some therapeutic effect. Qualitative themes from the post-exhibit interviews identified that the empathy themed exhibit was well received, although there were differences among responses from patients, visitors, and staff. The results imply that hospitals may consider offering prompts to help viewers engage with art to enhance mood and exhibiting art that demonstrates empathy for patient suffering. © The Author(s) 2015.

  12. Final report on 'biological effects of tritium as a basis of research and development in nuclear fusion'

    International Nuclear Information System (INIS)

    1987-12-01

    The National Institute of Radiological Sciences, Japan, has undertaken a special study of ''biological effects of tritium as a basis of research and development in nuclear fusion'' over a 5-year period from April 1981 through March 1986. This is a final report, covering incorporation and metabolism of tritium, physical, chemical, and cellular effects of tritium, tritium damage to the mammalian tissue, and human exposure to tritium. The report is organized into five chapters, including ''Study of incorporation of tritium into the living body and its in vivo behavior''; ''Physical and chemical studies for the determination of relative biological effectiveness''; ''Analytical study on biological effects of tritium in cultured mammalian cells''; ''Study of tritium effects on the mammalian tissue, germ cells, and cell transformation''; and ''Changes in the hemopoietic stem cells and lymphocyte subsets in humans after exposure to some internal emitters''. (Namekawa, K.)

  13. Climate Change: Effects on the Ecological Basis for Reindeer Husbandry in Sweden

    Energy Technology Data Exchange (ETDEWEB)

    Moen, Jon (Dept. of Ecology and Environmental Science, (Umeaa Univ., SE-901 87 Umeaa (Sweden)). E-mail: jon.moen@eg.umu.se

    2008-06-15

    This paper examines potential effects of predicted climate changes on the forage conditions during both summer and winter for semi domesticated reindeer in Sweden. Positive effects in summer ranges include higher plant productivity and a longer growing season, while negative effects include increased insect harassment. Forage quality may change in both positive and negative ways. An increase in shrubs and trees in alpine heaths is also likely. A warmer climate means shorter winters, which will have positive effects for the survival of reindeer. However, warmer and wetter weather may also result in increased probabilities of ice-crust formations, which strongly decrease forage availability. A warmer climate with higher forest productivity will also likely reduce lichen availability through competitive interactions. Adaptations to these changes will include maintaining a choice of grazing sites in both summer and winter. However, this capacity may already be severely limited because of other forms of land use

  14. DIMENSIONS AND EFFECTS OF EMOTIONS IN ORGANIZATIONAL SETTINGS

    Directory of Open Access Journals (Sweden)

    Andreea ARMEAN

    2014-12-01

    Full Text Available The emotions and their management in the workplace have become popular topics in the literature as a result of their effects in organizations. With regards to the conceptualization of emotions and their impact within the organizational context, terms such as emotion, affect, and affective state are often used as synonyms by many authors, but there are situations when they have different significance. The meanings associated with these concepts are herein discussed. The affect is present in all the organizational parts, is the root of all its relationships. The emotions influence many organizational dimensions such as decision-making, creativity, teamwork, negotiation, leadership, turnover, and job performance. Another essential construct in this field is emotional labor or the management of emotions. This concept has a special significance in the tertiary sector because it is an important driver of customer satisfaction.

  15. Are the arts an effective setting for promoting health messages?

    Science.gov (United States)

    Mills, Christina; Knuiman, Matthew; Rosenberg, Michael; Wood, Lisa; Ferguson, Renee

    2013-03-01

    Individuals can contribute to their own well-being through the adoption of positive health behaviours and the avoidance of negative health behaviours. The promotion of health messages is a cognitive strategy used to influence the adoption of health-enhancing behaviours. Since 1991, arts organizations have been sponsored by the Western Australian Health Promotion Foundation (Healthway) to promote anti-smoking, safe alcohol consumption, physical activity, sun protection and nutrition messages to the general population. The aim of this study was to evaluate the effectiveness of arts sponsorship to promote health messages and therefore gauge the effectiveness of the arts as a communication channel to promote health to the general population. A secondary analysis of the Healthway Survey of Community Recreation and Health data was conducted. The data were collected via a telephone survey of Western Australian adults aged 16-69 years. Overall, 1997 respondents participated in this study, a response rate of 59%. The analysis included a descriptive investigation, followed by logistic regression analyses of message awareness by those engaged and not engaged in the arts for sponsored anti-smoking, safe alcohol consumption, physical activity, sun protection and nutrition messages. Overall, 68% of those surveyed were classified as engaged in the arts, either as a participant, attendee or member of an arts organization. In general, those engaged in the arts were significantly more likely to recall health messages relating to physical activity (adjusted OR = 1.9), sun protection (OR = 1.8) nutrition (OR = 1.5), safe alcohol consumption (OR = 1.5) and anti-smoking (adjusted OR = 1.3) than those not engaged in the arts. Findings from this study suggest the arts have merit beyond intrinsic artistic value and are a viable means of promoting health messages to the general population.

  16. The physical and radiobiological basis of the local effect model (LEM): A response to the commentary by R. Katz

    International Nuclear Information System (INIS)

    Scholz, M.; Kraft, G.

    2004-01-01

    The physical and biological basis of our model to calculate the biological effects of charged particles, termed local effect model (LEM), has been recently questioned in a commentary by R. Katz. Major objections were related to the definition of the target size and the use of the term cross section. Here we show that the objections raised against our approach are unjustified and largely based on serious misunderstandings of the conceptual basis of the local effect model. Furthermore, we show that the approach developed by Katz and coworkers itself suffers from exactly those deficiencies, for which Katz criticises our model. The essential conceptual differences between the two models are discussed by means of some illustrative examples, based on a comparison with experimental data. For these examples, the predictions of the LEM model are fully consistent with the experimental data. Contrarily, e.g. for very heavy ions there are significant discrepancies observed for the Katz approach. These discrepancies can be attributed to the inadequate definition of the target size in this model. Experimental data are thus clearly in favor of the definition of the target as used in the local effect model. But also for protons, agreement with experimental data is achieved within the Katz approach only at the cost of questionable approximations in combination with the violation of the fundamental physical principle of energy conservation. (orig.)

  17. Pharmacokinetic basis of the neuromuscular blocking effects of vecuronium bromide; a study in animals and man

    NARCIS (Netherlands)

    Bencini, Anthony F.

    1986-01-01

    De proeven in dieren dienden om zowel het algemene farmacokinetische gedrag en het spierverslappende effect van vecuronium te karakteriseren alsmede om de functie van de lever in de verdelinge en eliminatie van vecuronium nauwkeuriger te definiëren. Het is echter bekend dat zowel de effecten als de

  18. Cost effective measures to prevent obesity: epidemiological basis and appropriate target groups

    NARCIS (Netherlands)

    Seidell, J.C.; Nooyens, A.C.J.; Visscher, T.L.S.

    2005-01-01

    Cost-effective prevention strategies to prevent weight gain and the development of obesity should be based on appropriate knowledge of the determinants of weight gain. The body of evidence on the dietary determinants of weight gain is, however, fragmentary at best, partly because inappropriate

  19. Cost-effective measures to prevent obesity : epidemiological basis and appropriate target groups

    NARCIS (Netherlands)

    Seidell, Jacob C; Nooyens, Astrid J; Visscher, Tommy L S

    Cost-effective prevention strategies to prevent weight gain and the development of obesity should be based on appropriate knowledge of the determinants of weight gain. The body of evidence on the dietary determinants of weight gain is, however, fragmentary at best, partly because inappropriate

  20. The molecular basis of simple relationships between exposure concentration and toxic effects with time.

    Science.gov (United States)

    Tennekes, Henk A; Sánchez-Bayo, Francisco

    2013-07-05

    Understanding the toxicity of chemicals to organisms requires considering the molecular mechanisms involved as well as the relationships between exposure concentration and toxic effects with time. Our current knowledge about such relationships is mainly explained from a toxicodynamic and toxicokinetic perspective. This paper re-introduces an old approach that takes into account the biochemical mode of action and their resulting biological effects over time of exposure. Empirical evidence demonstrates that the Druckrey-Küpfmüller toxicity model, which was validated for chemical carcinogens in the early 1960s, is also applicable to a wide range of toxic compounds in ecotoxicology. According to this model, the character of a poison is primarily determined by the reversibility of critical receptor binding. Chemicals showing irreversible or slowly reversible binding to specific receptors will produce cumulative effects with time of exposure, and whenever the effects are also irreversible (e.g. death) they are reinforced over time; these chemicals have time-cumulative toxicity. Compounds having non-specific receptor binding, or involving slowly reversible binding to some receptors that do not contribute to toxicity, may also be time-dependent; however, their effects depend primarily on the exposure concentration, with time playing a minor role. Consequently, the mechanism of toxic action has important implications for risk assessment. Traditional risk approaches cannot predict the impacts of toxicants with time-cumulative toxicity in the environment. New assessment procedures are needed to evaluate the risk that the latter chemicals pose on humans and the environment. An example is shown to explain how the risk of time-dependent toxicants is underestimated when using current risk assessment protocols. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  1. Modeling the CO2-effects of forest management and wood usage on a regional basis.

    Science.gov (United States)

    Knauf, Marcus; Köhl, Michael; Mues, Volker; Olschofsky, Konstantin; Frühwald, Arno

    2015-12-01

    At the 15 th Conference of Parties of the UN Framework Convention on Climate Change, Copenhagen, 2009, harvested wood products were identified as an additional carbon pool. This modification eliminates inconsistencies in greenhouse gas reporting by recognizing the role of the forest and timber sector in the global carbon cycle. Any additional CO 2 -effects related to wood usage are not considered by this modification. This results in a downward bias when the contribution of the forest and timber sector to climate change mitigation is assessed. The following article analyses the overall contribution to climate protection made by the forest management and wood utilization through CO 2 -emissions reduction using an example from the German state of North Rhine-Westphalia. Based on long term study periods (2011 to 2050 and 2100, respectively). Various alternative scenarios for forest management and wood usage are presented. In the mid- to long-term (2050 and 2100, respectively) the net climate protection function of scenarios with varying levels of wood usage is higher than in scenarios without any wood usage. This is not observed for all scenarios on short and mid term evaluations. The advantages of wood usage are evident although the simulations resulted in high values for forest storage in the C pools. Even the carbon sink effect due to temporal accumulation of deadwood during the period from 2011 to 2100 is outbalanced by the potential of wood usage effects. A full assessment of the CO 2 -effects of the forest management requires an assessment of the forest supplemented with an assessment of the effects of wood usage. CO 2 -emission reductions through both fuel and material substitution as well as CO 2 sink in wood products need to be considered. An integrated assessment of the climate protection function based on the analysis of the study's scenarios provides decision parameters for a strategic approach to climate protection with regard to forest management and

  2. Trial type mixing substantially reduces the response set effect in the Stroop task.

    Science.gov (United States)

    Hasshim, Nabil; Parris, Benjamin A

    2017-03-20

    The response set effect refers to the finding that an irrelevant incongruent colour-word produces greater interference when it is one of the response options (referred to as a response set trial), compared to when it is not (a non-response set trial). Despite being a key effect for models of selective attention, the magnitude of the effect varies considerably across studies. We report two within-subjects experiments that tested the hypothesis that presentation format modulates the magnitude of the response set effect. Trial types (e.g. response set, non-response set, neutral) were either presented in separate blocks (pure) or in blocks containing trials from all conditions presented randomly (mixed). In the first experiment we show that the response set effect is substantially reduced in the mixed block context as a result of a decrease in RTs to response set trials. By demonstrating the modulation of the response set effect under conditions of trial type mixing we present evidence that is difficult for models of the effect based on strategic, top-down biasing of attention to explain. In a second experiment we tested a stimulus-driven account of the response set effect by manipulating the number of colour-words that make up the non-response set of distractors. The results show that the greater the number of non-response set colour concepts, the smaller the response set effect. Alternative accounts of the data and its implications for research debating the automaticity of reading are discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Establishing effective sentinels - Setting the baseline for shale gas

    Science.gov (United States)

    Ward, C.; Worrall, F.

    2017-12-01

    The UK has a nascent shale gas industry and, unlike the US we have the opportunity to establish structures both physical and regulatory to reassure the public that any impact of a developing shale gas will be .properly licensed, regulated, monitored and, if necessary, mitigated. To assess and indeed demonstrate an impact of any activity, let alone those of shale gas exploitation, it is necessary to show, within a reasonable level of certainty, that the industry has changed a environmental state over and above that which was true without the activity present. The need for demonstrating impact not only means that a baseline needs to be established but that the baseline needs to be robustly established within a statistical and probabilistic framework so that certainty of impact can be demonstrated. A number of technologies have been proposed for monitoring the water quality impacts of shale gas developments, however, to be an effective and robust sentinel of change the parameter should have several properties: it should be a lead indicator and not a lag indicator of change; it should have a high contrast with the normal or background activity; it should show a high specificity for the activity of concern and not be associated with other activities; and it should readily deployed in time and space. By far the greatest difference between the waters arising from a shale gas well pad and surface waters is nothing more than salinity or its associated determinds. The salinity of flowback water and deep formation water can be many times greater than seawater let alone greater than the salinity of most UK surface waters. Therefore, we have built a probabilistic model of the salinity of English surface waters. We have developed a generalised linear model of the existing salinity data available for English surface waters. Generalised linear modelling means that we can use all the existing data, the approach is entirely data driven; it does not require parameterisation; and can

  4. Molecular basis for the mutagenic and lethal effects of ultraviolet irradiation. Progress report

    International Nuclear Information System (INIS)

    1977-01-01

    Pathways of DNA repair in bacteria and mammalian cells. Progress is reported on the following studies: genetic control of incision and excision in Escherichia coli; effects of binding proteins on the repair process in vitro; location of endonuclease - uv-irradiated DNA complexes; identification of eukaryotic repair mechanisms; nuclear complementation in HeLa cells; enzyme isolation from repair syndrome skin fibroblasts; and expression of the E. coli - SV40 hybrid DNA

  5. Introduction to the molecular basis of cancer metabolism and the Warburg effect.

    Science.gov (United States)

    Ngo, Darleen C; Ververis, Katherine; Tortorella, Stephanie M; Karagiannis, Tom C

    2015-04-01

    In differentiated normal cells, the conventional route of glucose metabolism involves glycolysis, followed by the citric acid cycle and electron transport chain to generate usable energy in the form of adenosine triphosphate (ATP). This occurs in the presence of oxygen. In hypoxic conditions, normal cells undergo anaerobic glycolysis to yield significantly less energy producing lactate as a product. As first highlighted in the 1920s by Otto Warburg, the metabolism exhibited by tumor cells involves an increased rate of aerobic glycolysis, known as the Warburg effect. In aerobic glycolysis, pyruvate molecules yielded from glycolysis are converted into fewer molecules of ATP even in the presence of oxygen. Evidence indicates that the reasons as to why tumor cells undergo aerobic glycolysis include: (1) the shift in priority to accumulate biomass rather than energy production, (2) the evasion of apoptosis as fewer reactive oxygen species are released by the mitochondria and (3) the production of lactate to further fuel growth of tumors. In this mini-review we discuss emerging molecular aspects of cancer metabolism and the Warburg effect. Aspects of the Warburg effect are analyzed in the context of the established hallmarks of cancer including the role of oncogenes and tumor suppressor genes.

  6. Explaining ADAGIO: a critical review of the biological basis for the clinical effects of rasagiline.

    Science.gov (United States)

    Jenner, Peter; Langston, J William

    2011-11-01

    The ADAGIO study demonstrated a symptomatic benefit for rasagiline in early Parkinson's disease (PD) and suggested a disease-modifying effect. Evidence indicates that mitochondrial dysfunction plays a role in the pathogenesis of PD and that this may be the site of effect for rasagiline. In this systematic review, evidence for the role of mitochondria in the pathogenesis of PD are reviewed in light of other proposed mechanisms of neuronal degeneration and the actions of rasagiline and its component parts, namely propargylamine and the metabolite, aminoindan. Evidence for the role of mitochondria in the pathogenesis and treatment of PD are reviewed in light of other proposed mechanisms of neuronal degeneration and clinical actions of rasagiline. Monoamine oxidase B (MAO-B) located in the outer mitochondrial membrane controls dopamine metabolism in early PD, and this is the likely location for the symptomatic action of rasagiline. Accumulating evidence indicates that mitochondrial impairment contributes to dopaminergic neuronal loss in PD, either directly or through other mechanisms such as oxidative stress or protein misfolding. Further rasagiline affects numerous mitochondrial mechanisms that prevent apoptotic cell death including prevention of opening of the mitochondrial transition pore, decreased release of cytochrome C, alterations in pro-antiapoptotic genes and proteins, and the nuclear translocation of glyceraldehyde 3-phosphate dehydrogenase (GAPDH). Thus, the functional neuroprotective actions of rasagiline may not be dependent on MAO-B inhibition, but rather may involve actions of the propargylamine moiety and the aminoindan metabolite. An accumulating body of literature indicates a mitochondrial site of action for rasagiline and highlights the neuroprotective action of the drug, providing strong biological plausibility for disease-modifying effects of the drug such as those observed in ADAGIO. Copyright © 2011 Movement Disorder Society.

  7. Effective development of the entities on the basis of forecasting of financial and economic activities

    Directory of Open Access Journals (Sweden)

    I. I. Shanin

    2017-01-01

    Full Text Available In article, the questions connected with approach on effective development of industrial enterprises on the example of the furniture entities are considered. Effective development of the entities is directed to cost reduction in case of production and implementation of products, for improvement of indicators of financial and economic activities. The research is conducted on the example of the furniture entities of the Voronezh region and Krasnodar Krai. Any entity constantly uses these or those resources connected with material, labor and finance costs. All resources, which are consumed during a certain production cycle, create a cost budget or the expense plan of the entity, which are the most important economic indicators of activities of any entity. Not always at the entities the attention is properly paid to forecasting of production expenses for a further stage of functioning. Most the entities will organize the activities in such a way that current plans pass from year to year, and at the same time the alternative ways directed to cost reduction in case of production and further sales of products aren't considered. Any entity needs forecasting and planning of costs for the following production stages, for the purposes of innovative development and effective functioning of productive activity of the entity. First, it is necessary for assessment of opportunities when financing productive activity and for further scheduling of expenses, directed to cost reduction and cost reallocation. Having analysed activities of the entities and having studied accounting (financial records, it is revealed that at the entities in 2015 in comparison with 2014, there was a decrease in outputs, but at the same time, the loss is observed. Based on the carried-out analysis, on the example of financial and economic activities of JSC GRAFSKOYE and JSC GKMF, conclusions are drawn, cost reduction allowances in case of production are revealed, and recommendations in

  8. Rainfall induced stability on the basis of unsaturated effective stress principle for Busan landslide

    Science.gov (United States)

    Oh, Seboong; Achmad Zaky, Fauzi; Ko, Jae Young; Lee, Jaewoo

    2017-04-01

    Heavy rainfall-induced landslide is one of major climatic problems in Korea. This study reports infiltration and stability analyses on both actual failure and non-failure areas. Three out of eight areas in Busan have been recognized to experience actual failure due to prolonged precipitation. Using the stochastic rainfall intensity, the measured hydromechanical properties, and the prescribed initial conditions, the one-dimensional infiltration model assessed the infiltration behavior in unsaturated conditions for 24 hours. To examine the stability of shallow layers, infinite slope model was conducted using generalized effective stress framework based on transient infiltration analysis. The failures could be simulated as time dependent variation of both saturation and pore water pressure, and time dependent reduction of factor of safety into 1.0. It is also shown that the transient infiltration and stability analyses can reconstruct failure events under the generalized effective stress framework. Acknowledgements: This research is supported by grant from Korean NRF (2015R1A2A2A01003933), which are greatly appreciated.

  9. Neural basis of anxiolytic effects of cannabidiol (CBD) in generalized social anxiety disorder: a preliminary report.

    Science.gov (United States)

    Crippa, José Alexandre S; Derenusson, Guilherme Nogueira; Ferrari, Thiago Borduqui; Wichert-Ana, Lauro; Duran, Fábio L S; Martin-Santos, Rocio; Simões, Marcus Vinícius; Bhattacharyya, Sagnik; Fusar-Poli, Paolo; Atakan, Zerrin; Santos Filho, Alaor; Freitas-Ferrari, Maria Cecília; McGuire, Philip K; Zuardi, Antonio Waldo; Busatto, Geraldo F; Hallak, Jaime Eduardo Cecílio

    2011-01-01

    Animal and human studies indicate that cannabidiol (CBD), a major constituent of cannabis, has anxiolytic properties. However, no study to date has investigated the effects of this compound on human pathological anxiety and its underlying brain mechanisms. The aim of the present study was to investigate this in patients with generalized social anxiety disorder (SAD) using functional neuroimaging. Regional cerebral blood flow (rCBF) at rest was measured twice using (99m)Tc-ECD SPECT in 10 treatment-naïve patients with SAD. In the first session, subjects were given an oral dose of CBD (400 mg) or placebo, in a double-blind procedure. In the second session, the same procedure was performed using the drug that had not been administered in the previous session. Within-subject between-condition rCBF comparisons were performed using statistical parametric mapping. Relative to placebo, CBD was associated with significantly decreased subjective anxiety (p CBD reduces anxiety in SAD and that this is related to its effects on activity in limbic and paralimbic brain areas.

  10. Human suffering effects of nuclear tests at Semipalatinsk, Kazakhstan. Established on the basis of questionnaire surveys

    International Nuclear Information System (INIS)

    Kawano, Noriyuki; Hirabayashi, Kyoko; Taooka, Yasuyuki; Hiraoka, Takashi; Hoshi, Masaharu; Matsuo, Masatsugu; Apsalikov, K.N.; Moldagaliev, T.

    2006-01-01

    The main objective of the present paper is to explore the effects of radiation exposure on the inhabitants near the Semipalatinsk Nuclear Tests Site (SNTS), Kazakhstan. Our research team of the Research Institute for Radiation Biology and Medicine, Hiroshima University, started in 2002 to conduct a field research study using questionnaire surveys. The present paper attempts to clarify health effects and mental problems on the inhabitants by using our questionnaire surveys. Among the responses to our survey, the present paper focuses upon responses to the questions concerning their health and mental problems. The data in Semipalatinsk have been compared with the results obtained in a similar survey conducted by Hiroshima and Nagasaki cities. The results show: 33% of the residents replied that they felt bad or had very bad health conditions. 70% of the residents strongly recognized a causal relationship between their bad health conditions and the nuclear tests. The diseases that over 30% of respondents possessed are arthralgia/lower back pain/arthritis, high-blood pressure, heart disease and digestive system disease. Acute radiation injuries from 1949 to 1962 that over 20% of respondents experienced were headaches and general malaise. Concerning their mental condition, 22% of respondents felt easily frustrated and agitated and 21% experienced nightmare. (author)

  11. Music effects on event-related potentials of humans on the basis of cultural environment.

    Science.gov (United States)

    Arikan, M K; Devrim, M; Oran, O; Inan, S; Elhih, M; Demiralp, T

    1999-06-11

    Auditory oddball responses were recorded from Turkish subjects in a silent environment or superimposed on white noise, or music played with violoncello or a similar music played with ney, a reed flute frequently listened by the Turkish population. P3 amplitudes with ney music in the background were significantly larger than both the white noise and violoncello backgrounds. The topography of the P3 response changed significantly between the ney and silent background conditions, indicating a relatively higher participation of frontal areas during hearing ney. Our results showed that hearing music of a familiar style increases the allocation of attentional resources during memory updating processes which is supposed to determine the P3 amplitude, and therefore showed the effects of cultural environment on the cognitive processes.

  12. Full CI Benchmark Potentials for the 6e^- System Li_2 with a CBS Extrapolation from aug-cc-pCV5Z and aug-cc-pCV6Z Basis Sets Using Fciqmc and Dmrg

    Science.gov (United States)

    Dattani, Nikesh S.; Sharma, Sandeep; Alavi, Ali

    2016-06-01

    Being the simplest uncharged homonuclear dimer after H_2 that has a stable ground state, Li_2 is one of the most important benchmark systems for theory and experiment. In 1930, Delbruck used Li_2 to test his theory of homopolar binding, and it was used again and again as a prototype to test what have now become some of the most ubiquitous concepts in molecular physics (LCAO, SCF, MO, just to name a few). Experimentally, Roscoe and Schuster studied alkali dimers back in 1874. At the dawn of quantum mechanics, the emerging types of spectroscopic analyses we now use today, were tested on Li_2 in the labs of Wurm (1928), Harvey (1929), Lewis (1931), and many others, independently. Li_2 was at the centre of the development of PFOODR in the 80s, and PAS in the 90s; and Lithium Bose-Einstein condensates were announced only 1 month after the Nobel Prize winning BEC announcement in 1995. Even now in the 2010s, numerous experimental and theoretical studies on Li have tested QED up to the 7th power of the fine structure constant. Li_2 has also been of interest to sub-atomic physicists, as it was spectroscopic measurements on ^7Li_2 that determined the spin of ^7Li to be 3/2 in 1931; and Li_2 has been proposed in 2014 as a candidate for the first ``halo nucleonic molecule". The lowest triplet state a(1^3Σ_u^+) is an excellent benchmark system for all newly emerging ab initio techniques because it has only 6e^-, its potential is only 334 cm-1 deep, it avoids harsh complications from spin-orbit coupling, and it is the deepest potential for which all predicted vibrational energy levels have been observed with 0.0001 cm-1 precision. However the current best ab initio potentials do not even yield all vibrational energy spacings correct to within 1 cm-1. This could be because the calculation was only done on a cc-pV5Z basis set, or because the QCISD(T,full) method that the authors used, only considered triple excitations while a full CI calculation should include up to hexuple

  13. Defining the Effects of Television on the Body Image on the basis of Adolescents’ Opinions

    Directory of Open Access Journals (Sweden)

    Berrin Dinç

    2010-02-01

    Full Text Available This study aimed to determine the effects of television on the body images of the adolescents at high school. In the study, mixed method was used. Out of 1222 high school students, who completed the “Scale of Satisfaction from Body Parts and Features”, 36 students participated in the study according to their scores from this scale. Qualitative data of the study was collected through semi-structured interviews and the interview data was analyzed descriptively. The results of the study revealed that the majority of the adolescents were satisfied with their bodies, yet the males reported more satisfaction than the females. Furthermore, it was seen that the adolescents emulated the ideal body types and features on television that they wanted to have or they did not have and they sometimes tried to resemble these. Moreover, it was determined that most of the adolescents compared themselves with the ideal body images on TV and they sometimes experienced disappointment and pessimism

  14. Defining the Effects of Television on the Body Image on the basis of Adolescents’ Opinions

    Directory of Open Access Journals (Sweden)

    Berrin Dinç

    2010-10-01

    Full Text Available This study aimed to determine the effects of television on the body images of the adolescents at high school. In the study, mixed method was used. Out of 1222 high school students, who completed the “Scale of Satisfaction from Body Parts and Features”, 36 students participated in the study according to their scores from this scale. Qualitative data of the study was collected through semi-structured interviews and the interview data was analyzed descriptively. The results of the study revealed that the majority of the adolescents were satisfied with their bodies, yet the males reported more satisfaction than the females. Furthermore, it was seen that the adolescents emulated the ideal body types and features on television that they wanted to have or they did not have and they sometimes tried to resemble these. Moreover, it was determined that most of the adolescents compared themselves with the ideal body images on TV and they sometimes experienced disappointment and pessimism.

  15. Cost-effective synthesis of environmentally benign materials on the basis of poly-3-hydroxybutyrate

    Directory of Open Access Journals (Sweden)

    H. Häberlein

    2005-06-01

    Full Text Available As an example for an environmentally benign and low-cost material we prepared blends from 1. copolyester-urethanes (PEU and 2. cellulose acetate recycling material (CAR. The copolyester-urethanes were prepared by joining blocks of alpha, omega-(poly-(R-3-hydroxybutyrate-diol and poly-butylenglycol-adipate-diol with hexamethylene diisocyanate. Fibrous CAR was transformed into a short-fiber felt by textile technology and calendared into the PEU melt. The processing of the blends was done at 80 - 100 °C mainly by injection molding. The mechanical properties of the tough-elastic materials were studied with respect to the influence of the PEU composition and the ratio of CAR admixture. The starting materials, (R-PHB and cellulose derivatives are obtained from agrarian resources. Therefore, the resulting polymers are stable under conditions of usage, yet readily bio-degradable on soil deposition. Mixing with cellulose acetate waste material allows for cost-effective production of such blends.

  16. Endocannabinoid system and psychiatry: in search of a neurobiological basis for detrimental and potential therapeutic effects

    Directory of Open Access Journals (Sweden)

    Eva M Marco

    2011-10-01

    Full Text Available Public concern on mental health has noticeably increased given the high prevalence of neuropsychiatric disorders. Cognition and emotionality are the most affected functions in neuropsychiatric disorders, i.e. anxiety disorders, depression and schizophrenia. In this review, most relevant literature on the role of the endocannabinoid (eCB system in neuropsychiatric disorders will be presented. Evidence from clinical and animal studies is provided for the participation of CB1 and CB2 receptors (CB1R and CB2R in the above mentioned neuropsychiatric disorders. CBRs are crucial in some of the emotional and cognitive impairments reported, although more research is required to understand the specific role of the eCB system in neuropsychiatric disorders. Cannabidiol (CBD, the main non-psychotropic component of the Cannabis sativa plant, has shown therapeutic potential in several neuropsychiatric disorders. Although further studies are needed, recent studies indicate that CBD therapeutic effects may partially depend on facilitation of eCB-mediated neurotransmission. Last but not least, this review includes recent findings on the role of the eCB system in eating disorders. A deregulation of the eCB system has been proposed to be in the bases of several neuropsychiatric disorders, including eating disorders. Cannabis consumption has been related to the appearance of psychotic symptoms and schizophrenia. In contrast, the pharmacological manipulation of this eCB system has been proposed as a potential strategy for the treatment of anxiety disorders, depression, and anorexia nervosa. In conclusion, the eCB system plays a critical role in psychiatry; however, detrimental consequences of manipulating this endogenous system cannot be underestimated over the potential and promising perspectives of its therapeutic manipulation.

  17. Perceptions of Eighth Graders Concerning the Aim, Effectiveness, and Scientific Basis of Pseudoscience: the Case of Crystal Healing

    Science.gov (United States)

    Metin, Duygu; Cakiroglu, Jale; Leblebicioglu, Gulsen

    2017-12-01

    Practices such as astrology or crystal healing can be defined as pseudoscience. Against pseudoscience, one of the major responsibilities of science education must be to develop science-literate individuals who are able to understand what science is, how science is undertaken, how scientific knowledge is constructed, and how it is justified, then they will be able to determine whether a claim is valid and be alert to practices which fall outside the realms of science, especially those in the area of pseudoscience. For this reason, the ability of recognizing flawed process and claims of pseudoscience is referred to one of the crucial parts of science literacy. The present study aimed to uncover middle school students' understanding of the inherent aim of pseudoscientists and pseudoscientific applications related to crystals and to reveal their judgments and justifications regarding the effectiveness and scientific basis of these applications. The present study was qualitative in nature. The results of the study showed that the students were very gullible about the aim, effectiveness, and scientific basis of pseudoscientific practices and in particular the use of crystals. Furthermore, similar to pseudoscientists, the students generally used weak reasoning to evaluate the presented claims and research designs about crystals and crystal healing.

  18. Remote infeed and arc resistance effects on distance relays settings for 9 bus WSCC system

    Science.gov (United States)

    Ulla, Irshad; Radwan, M. S.; Baharom, M. N. R.; Ahmad, H.; Luqman, H. M.; Zainal, Zainab

    2017-09-01

    This paper introduce the effects of the remote infeed and arc resistance on the distance relays settings coordination for IEEE 9-bus system and the approach to including this effect on the setting using four zones quadrilateral characteristic, the simulation has been done using MATLAB/SIMULINK program which is helpful in constricting the power system and the distance relays.

  19. Setting safe and effective suction pressure: the effect of using a manometer in the suction circuit.

    Science.gov (United States)

    Donald, K J; Robertson, V J; Tsebelis, K

    2000-01-01

    To establish the levels of pressure used to perform tracheal suction (TS) and if they are affected by having a manometer visible in the suction circuit. A bench test evaluation of simulated tracheal suction. Physiotherapy department of a major teaching hospital in Melbourne, Australia. Sixty-four nurses and physiotherapists who regularly apply TS to patients in the intensive care units of this hospital. All subjects used both circuit A (without a visible manometer) and B (with a visible manometer) in a predetermined random order. For both, subjects adjusted the suction control tap to where they said a safe and effective pressure (set pressure) was delivered and then occluded the suction catheter as though suctioning (applied pressure). Subjects then completed a questionnaire on their current TS practise. All set pressures (mean = 228.57 mmHg) and all applied pressures (mean = 359. 52 mmHg) were significantly higher (P manometer (circuit A) were significantly higher (P manometer (circuit B) but the applied pressures were not significantly different (P =.166). Neither the investigator (P =.618) or the test order (P =.167) had a significant effect on the outcome. Questionnaire results showed 31 % of subjects considered 100-170 mmHg a safe and effective suction pressure whilst none reported using an objective means of measuring pressure. All pressures in both circuits were significantly higher than those recommended as safe in the literature. In addition, pressures were unaffected by the inclusion of a visible manometer in the suction circuit.

  20. Information overload or search-amplified risk? Set size and order effects on decisions from experience.

    Science.gov (United States)

    Hills, Thomas T; Noguchi, Takao; Gibbert, Michael

    2013-10-01

    How do changes in choice-set size influence information search and subsequent decisions? Moreover, does information overload influence information processing with larger choice sets? We investigated these questions by letting people freely explore sets of gambles before choosing one of them, with the choice sets either increasing or decreasing in number for each participant (from two to 32 gambles). Set size influenced information search, with participants taking more samples overall, but sampling a smaller proportion of gambles and taking fewer samples per gamble, when set sizes were larger. The order of choice sets also influenced search, with participants sampling from more gambles and taking more samples overall if they started with smaller as opposed to larger choice sets. Inconsistent with information overload, information processing appeared consistent across set sizes and choice order conditions, reliably favoring gambles with higher sample means. Despite the lack of evidence for information overload, changes in information search did lead to systematic changes in choice: People who started with smaller choice sets were more likely to choose gambles with the highest expected values, but only for small set sizes. For large set sizes, the increase in total samples increased the likelihood of encountering rare events at the same time that the reduction in samples per gamble amplified the effect of these rare events when they occurred-what we call search-amplified risk. This led to riskier choices for individuals whose choices most closely followed the sample mean.

  1. Physical basis of the effect of hemoglobin on the 31P NMR chemical shifts of various phosphoryl compounds

    International Nuclear Information System (INIS)

    Kirk, K.; Kuchel, P.W.

    1988-01-01

    The marked difference between the intra- and extracellular 31 P NMR chemical shifts of various phosphoryl compounds when added to a red cell suspension may be largely understood in terms of the effects of hemoglobin on the 31 P NMR chemical shifts. The presence of [oxy- or (carbonmonoxy)-] hemoglobin inside the red cell causes the bulk magnetic susceptibility of the cell cytoplasm to be significantly less than that of the external solution. This difference is sufficient to account for the difference in the intra- and extracellular chemical shifts of the two phosphate esters trimethyl phosphate and triethyl phosphate. However, in the case of the compounds dimethyl methylphosphonate, diethyl methylphosphonate, and trimethylphosphine oxide as well as the hypophosphite, phenylphosphinate, and diphenylphosphinate ions, hemoglobin exerts an additional, much larger, effect, causing the 31 P NMR resonances to shift to lower frequency in a manner that cannot be accounted for in terms of magnetic susceptibility. Lysozyme is a protein structurally unrelated to hemoglobin and was shown to cause similar shifts to lower frequency of the resonances of these six compounds; this suggests that the mechanism may involve a property of proteins in general and not a specific property of hemoglobin. The effect of different solvents on the chemical shifts of the eight phosphoryl compounds provided an insight into the possible physical basis of the effect. It is proposed that, in addition to magnetic susceptibility effects, hemoglobin exerts its influence on phosphoryl chemical shifts by disrupting the hydrogen bonding of the phosphoryl group to solvent water

  2. Effectiveness of health tourism application as the basis of health related recreational technology in primary school pupils’ physical education

    Directory of Open Access Journals (Sweden)

    V.O. Kashuba

    2016-04-01

    Full Text Available Purpose: to search effective methods of health tourism application in physical education of primary school age pupils. Матеріал: in the research 40 children participated, who were divided into control (9 boys and 11 girls and experimental (10 boys and 10 girls groups. We registered physical fitness, physical health, adaptation-reserve potentials and psychological state of primary school pupils. Results: specificities of health tourism means’ application as the basis of health-related recreational technology were determined. We found improvement of children’s health by 10%. Besides, we observed prevailing improvement of organism’s resistance to environmental unfavorable factors and indicators of psycho-emotional state. Conclusions: application of health tourism means increases organism’s functional potentials, physical health and psycho-emotional state of schoolchildren.

  3. The Effect of Program Setting and Duration on Corporate Team Development.

    Science.gov (United States)

    Priest, Simon

    1998-01-01

    This study determined whether program setting (camp versus hotel) and program duration (five one-day sessions or a single five-day session) had any impact on development of teamwork in a corporate adventure training program. Results showed program setting had no effect, but short programs appeared to provide slower but greater overall gains in…

  4. The Effects of Graphic Feedback, Goal-Setting, and Manager Praise on Customer Service Behaviors

    Science.gov (United States)

    Loewy, Shannon; Bailey, Jon

    2007-01-01

    The current study used a multiple baseline design to investigate the effects of graphic feedback, goal setting, and manager praise on customer service behaviors in a large retail setting. Direct observation of customer greeting, eye contact, and smiling was used to collect data. After baseline data were collected feedback graphs were posted twice…

  5. Effects of Animation on Naming and Identification across Two Graphic Symbol Sets Representing Verbs and Prepositions

    Science.gov (United States)

    Schlosser, Ralf W.; Koul, Rajinder; Shane, Howard; Sorce, James; Brock, Kristofer; Harmon, Ashley; Moerlein, Dorothy; Hearn, Emilia

    2014-01-01

    Purpose: The effects of animation on naming and identification of graphic symbols for verbs and prepositions were studied in 2 graphic symbol sets in preschoolers. Method: Using a 2 × 2 × 2 × 3 completely randomized block design, preschoolers across three age groups were randomly assigned to combinations of symbol set (Autism Language Program…

  6. Enhancing Willingness to Communicate: Relative Effects of Visualization and Goal Setting

    Science.gov (United States)

    Munezane, Yoko

    2015-01-01

    This article examines the relative effects of two treatments--goal setting and visualization--on enhancing Willingness to Communicate (WTC) among a group of 373 Japanese university EFL learners. Although longitudinal studies in both EFL and ESL settings have been conducted to examine the developmental aspect of WTC, no solid results of enhancing…

  7. Life cycle assessment of genetically modified products as a basis for a comprehensive assessment of possible environmental effects

    International Nuclear Information System (INIS)

    Kloepffer, W.; Renner, I.; Schmidt, E.; Tappeser, B.; Gensch, C.O.; Gaugitsch, H.

    2001-01-01

    In the preceding project 'Life Cycle Assessment of genetically modified products as a basis for a comprehensive assessment of possible environmental effects' for the first time the risks of deliberate release of genetically modified organisms (GMOs) into the environment have been taken into account in a Life Cycle Assessment (LCA). This was performed by a risk assessment in addition to a quantitative impact assessment. As from a methodological perspective this was not satisfactory, the Federal Environment Agency commissioned the C.A.U. GmbH and the Institute of Applied Ecology Freiburg to further develop the impact assessment methodology for the risks of GMOs. Any further development of the methodology of impact assessment in LCAs has to be performed on the basis of the standard EN/ISO 14042. There are 2 options for taking into account risks of deliberate release of GMOs: 1. allocation of the potential effects resulting from the genetic modification on human beings and the environment to existing categories of the impact assessment and attempt to quantify within those existing methods of characterization; 2. development of a new category, e.g. 'effects of genetically modified crop plants'. In order to asses the possibilities under option 1 various models of characterization within the categories human toxicity, ecotoxicity and land use (appropriation of environmental space) have been analyzed. The risks of GMOs identified and dealt with in the preceding study were allocated to these categories. It seemed to be impossible to integrate the risks in existing models of characterization for human toxicity and ecotoxicity, as these are based on exposure and impact factors. The development of a factor for exposure seems possible for GMOs, however a suitable impact factor is not possible to generate. In addition it was analyzed if in other impact categories which are difficult to quantify any solutions for operationalization exist. This does not seem to be the case. As a

  8. The effect of skeletal pattern on determining articulator settings for prosthodontic rehabilitation: an in vivo study.

    LENUS (Irish Health Repository)

    Canning, Tom

    2011-01-01

    During extensive prosthodontic treatment, the use of an accurately adjusted articulator is recommended to simulate mandibular movements. This clinical study was undertaken to assess any possible effect of the underlying skeletal pattern on programming articulator settings.

  9. Studying the Physical Basis of Global Warming: Thermal Effects of the Interaction between Radiation and Matter and Greenhouse Effect

    Science.gov (United States)

    Besson, Ugo; De Ambrosis, Anna; Mascheretti, Paolo

    2010-01-01

    We present a teaching module dealing with the thermal effects of interaction between radiation and matter, the infrared emission of bodies and the greenhouse effect devoted to university level and teacher education. The module stresses the dependence of the optical properties of materials (transparency, absorptivity and emissivity) on radiation…

  10. STRATEGIC ANALYSIS OF THE EFFECTIVE DEVELOPMENT OF INDUSTRIAL ENTERPRISES ON THE BASIS OF THE USE OF “CORPORATE INNOVATION MANAGEMENT CHART”

    Directory of Open Access Journals (Sweden)

    Yuliia Klius

    2017-12-01

    Full Text Available Intensification of innovation activity of enterprises requires a qualitatively new organization of interconnections and interaction between all participants of the innovation process. The spreading of forms of corporate ownership and management in Ukraine has led to the development of corporate governance, whose strategic focus is becoming a top priority in the management of industrial enterprises. The introduction of an effective corporate innovation management system enhances competitiveness and economic efficiency by ensuring due attention to the interests of investors, management, and other participants in corporate relations; financial transparency, the introduction of effective management and control rules. The purpose of the article is to substantiate the use of “corporate innovation management chart” at industrial enterprises in conducting a strategic analysis of their effective development. Methodology. Methodological basis of the work is a set of methods and principles of scientific knowledge, general and special methods and techniques used during the study. The theoretical basis of the research is fundamental positions of the general theory of systems and innovation management, the theory of corporate management, scientific works of domestic and foreign scholars in the field of innovation management and corporate governance. The legal framework of the study is the current legislative and regulatory documents regulating the innovation activity of enterprises and corporate governance. For the achievement of the set purpose during writing of the article, the following methods are used: method of system analysis (for the definition of conditions of functioning of the corporate system of management of innovations; modelling (in the development of a mechanism for managing the effective development of an industrial enterprise with the use of “corporate innovation management chart”; graphic (for a visual representation of stages of

  11. Studying the physical basis of global warming: thermal effects of the interaction between radiation and matter and greenhouse effect

    Energy Technology Data Exchange (ETDEWEB)

    Besson, Ugo; De Ambrosis, Anna; Mascheretti, Paolo [Department of Physics ' A Volta' , University of Pavia, Via A Bassi 6, 27100 Pavia (Italy)], E-mail: ugo.besson@unipv.it, E-mail: anna.deambrosisvigna@unipv.it

    2010-03-15

    We present a teaching module dealing with the thermal effects of interaction between radiation and matter, the infrared emission of bodies and the greenhouse effect devoted to university level and teacher education. The module stresses the dependence of the optical properties of materials (transparency, absorptivity and emissivity) on radiation frequency, as a result of interaction between matter and radiation. Multiple experiences are suggested to favour a progressive construction of knowledge on the physical aspects necessary to understand the greenhouse effect and global warming. Some results obtained with university students are briefly reported.

  12. Studying the physical basis of global warming: thermal effects of the interaction between radiation and matter and greenhouse effect

    International Nuclear Information System (INIS)

    Besson, Ugo; De Ambrosis, Anna; Mascheretti, Paolo

    2010-01-01

    We present a teaching module dealing with the thermal effects of interaction between radiation and matter, the infrared emission of bodies and the greenhouse effect devoted to university level and teacher education. The module stresses the dependence of the optical properties of materials (transparency, absorptivity and emissivity) on radiation frequency, as a result of interaction between matter and radiation. Multiple experiences are suggested to favour a progressive construction of knowledge on the physical aspects necessary to understand the greenhouse effect and global warming. Some results obtained with university students are briefly reported.

  13. Psychology of Agenda-Setting Effects. Mapping the Paths of Information Processing

    Directory of Open Access Journals (Sweden)

    Maxwell McCombs

    2014-01-01

    Full Text Available The concept of Need for Orientation introduced in the early years of agenda-setting research provided a psychological explanation for why agenda-setting effects occur in terms of what individuals bring to the media experience that determines the strength of these effects. Until recently, there had been no significant additions to our knowledge about the psychology of agenda-setting effects. However, the concept of Need for Orientation is only one part of the answer to the question about why agenda setting occurs. Recent research outlines a second way to answer the why question by describing the psychological process through which these effects occur. In this review, we integrate four contemporary studies that explicate dual psychological paths that lead to agenda-setting effects at the first and second levels. We then examine how information preferences and selective exposure can be profitably included in the agenda-setting framework. Complementing these new models of information processing and varying attention to media content and presentation cues, an expanded concept of psychological relevance, motivated reasoning goals (accuracy versus directional goals, and issue publics are discussed.

  14. Five Steps to Providing Effective Feedback in the Clinical Setting: A New Approach to Promote Teamwork and Collaboration.

    Science.gov (United States)

    Motley, Cindy L; Dolansky, Mary A

    2015-07-01

    Feedback is a major component of clinical education. Feedback reinforces or modifies behavior and helps learners to validate knowledge and feel motivated to learn. Traditionally, feedback is used by clinical educators who observe learners' behavior and provide expert direction. Teamwork and collaboration is one of the six Quality and Safety Education for Nurses core competencies developed for prelicensure and graduate nurses. These skills are important in the current complex health care environment. On the basis of the literature and prior experience, a new approach for clinical educators is using feedback to teach teamwork and collaboration skills. Five steps educators can take to provide effective feedback in the clinical setting are to (a) create a culture of feedback, (b) use structured communication tools, (c) encourage dialogue, (d) acknowledge the human factor, and (e) embrace a leadership role. This new approach enhances feedback and teaches teamwork and collaboration. Copyright 2015, SLACK Incorporated.

  15. Effects of goal setting on fear of failure in young elite athletes

    DEFF Research Database (Denmark)

    Wikman, Johan Michael; Stelter, Reinhard; Melzer, Marcus

    2014-01-01

    recommendations was used as intervention. The goal-setting group (n = 33) attended 12 weekly, one-hour goal-setting sessions, while the control group (n = 16) did not. A Danish version of the short form of the Achievement Motives Scale-Sport was tested with a confirmatory factor analysis and showed good fit......This study reports the effects of a goal-setting intervention on fear of failure in young elite athletes. Using the hierarchical model of approach and avoidance motivation as a theoretical vantage point, a goal-setting intervention using mastery-approach goals and existing goalsetting....... It was used to measure fear of failure at baseline, at the end of intervention and at follow-up, 12 weeks after intervention had ended. Results showed that in the goal-setting group, fear of failure decreased significantly from baseline to end of intervention, but increased again from end of intervention...

  16. Analytical basis for evaluating the effect of unplanned interventions on the effectiveness of a human-robot system

    International Nuclear Information System (INIS)

    Shah, Julie A.; Saleh, Joseph H.; Hoffman, Jeffrey A.

    2008-01-01

    Increasing prevalence of human-robot systems in a variety of applications raises the question of how to design these systems to best leverage the capabilities of humans and robots. In this paper, we address the relationships between reliability, productivity, and risk to humans from human-robot systems operating in a hostile environment. Objectives for maximizing the effectiveness of a human-robot system are presented, which capture these coupled relationships, and reliability parameters are proposed to characterize unplanned interventions between a human and robot. The reliability metrics defined here take on an expanded meaning in which the underlying concept of failure in traditional reliability analysis is replaced by the notion of intervention. In the context of human-robotic systems, an intervention is not only driven by component failures, but includes many other factors that can make a robotic agent to request or a human agent to provide intervention, as we argue in this paper. The effect of unplanned interventions on the effectiveness of human-robot systems is then investigated analytically using traditional reliability analysis. Finally, we discuss the implications of these analytical trends on the design and evaluation of human-robot systems

  17. Effects of solution crowding on actin polymerization reveal the energetic basis for nucleotide-dependent filament stability.

    Science.gov (United States)

    Frederick, Kendra B; Sept, David; De La Cruz, Enrique M

    2008-05-02

    Actin polymerization is a fundamental cellular process involved in cell structure maintenance, force generation, and motility. Phosphate release from filament subunits following ATP hydrolysis destabilizes the filament lattice and increases the critical concentration (C(c)) for assembly. The structural differences between ATP- and ADP-actin are still debated, as well as the energetic factors that underlie nucleotide-dependent filament stability, particularly under crowded intracellular conditions. Here, we investigate the effect of crowding agents on ATP- and ADP-actin polymerization and find that ATP-actin polymerization is largely unaffected by solution crowding, while crowding agents lower the C(c) of ADP-actin in a concentration-dependent manner. The stabilities of ATP- and ADP-actin filaments are comparable in the presence of physiological amounts (approximately 30% w/v) and types (sorbitol) of low molecular weight crowding agents. Crowding agents act to stabilize ADP-F-actin by slowing subunit dissociation. These observations suggest that nucleotide hydrolysis and phosphate release per se do not introduce intrinsic differences in the in vivo filament stability. Rather, the preferential disassembly of ADP-actin filaments in cells is driven through interactions with regulatory proteins. Interpretation of the experimental data according to osmotic stress theory implicates water as an allosteric regulator of actin activity and hydration as the molecular basis for nucleotide-dependent filament stability.

  18. Meta-analysis of choice set generation effects on route choice model estimates and predictions

    DEFF Research Database (Denmark)

    Prato, Carlo Giacomo

    2012-01-01

    are applied for model estimation and results are compared to the ‘true model estimates’. Last, predictions from the simulation of models estimated with objective choice sets are compared to the ‘postulated predicted routes’. A meta-analytical approach allows synthesizing the effect of judgments......Large scale applications of behaviorally realistic transport models pose several challenges to transport modelers on both the demand and the supply sides. On the supply side, path-based solutions to the user assignment equilibrium problem help modelers in enhancing the route choice behavior...... modeling, but require them to generate choice sets by selecting a path generation technique and its parameters according to personal judgments. This paper proposes a methodology and an experimental setting to provide general indications about objective judgments for an effective route choice set generation...

  19. A Review of the Effects of Peer Tutoring on Students with Mild Disabilities in Secondary Settings

    Science.gov (United States)

    Stenhoff, Donald M.; Lignugaris/Kraft, Benjamin

    2007-01-01

    Researchers reviewed 20 articles on peer tutoring research in secondary settings and addressed demographics of tutors and tutees, content areas in which peer tutors were employed, tutor training required for implementing effective tutoring programs, and the effects of peer tutoring on tutee performance. Generally, peer tutoring in secondary…

  20. Testing the effect of defaults on the thermostat settings of OECD employees

    International Nuclear Information System (INIS)

    Brown, Zachary; Johnstone, Nick; Haščič, Ivan; Vong, Laura; Barascud, Francis

    2013-01-01

    We describe a randomized controlled experiment in which the default settings on office thermostats in an OECD office building were manipulated during the winter heating season, and employees' chosen thermostat setting observed over a 6-week period. Using difference-in-differences, panel, and censored regression models (to control for maximum allowable thermostat settings), we find that a 1 °C decrease in the default caused a reduction in the chosen setting by 0.38 °C, on average. Sixty-five percent of this effect could be attributed to office occupant behavior (p-value = 0.044). The difference-in-differences models show that small decreases in the default (1°) led to a greater reduction in chosen settings than large decreases (2°). We also find that office occupants who were more apt to adjust their thermostats prior to the intervention were less susceptible to the default. We conclude that this kind of intervention can increase building-level energy efficiency, and discuss potential explanations and broader policy implications of our findings. - Highlights: • We conduct a randomized controlled trial to test if thermostat defaults affect agent behavior. • Two treatments (schedules of default settings) were tested against a control for 6 weeks at OECD. • Small changes in defaults had a greater effect on chosen settings than larger changes in defaults. • Occupants who frequently changed their thermostats in baseline were less affected by defaults. • Thermostat defaults in office environments can be manipulated to increase energy efficiency

  1. Determining Relative Importance and Effective Settings for Genetic Algorithm Control Parameters.

    Science.gov (United States)

    Mills, K L; Filliben, J J; Haines, A L

    2015-01-01

    Setting the control parameters of a genetic algorithm to obtain good results is a long-standing problem. We define an experiment design and analysis method to determine relative importance and effective settings for control parameters of any evolutionary algorithm, and we apply this method to a classic binary-encoded genetic algorithm (GA). Subsequently, as reported elsewhere, we applied the GA, with the control parameter settings determined here, to steer a population of cloud-computing simulators toward behaviors that reveal degraded performance and system collapse. GA-steered simulators could serve as a design tool, empowering system engineers to identify and mitigate low-probability, costly failure scenarios. In the existing GA literature, we uncovered conflicting opinions and evidence regarding key GA control parameters and effective settings to adopt. Consequently, we designed and executed an experiment to determine relative importance and effective settings for seven GA control parameters, when applied across a set of numerical optimization problems drawn from the literature. This paper describes our experiment design, analysis, and results. We found that crossover most significantly influenced GA success, followed by mutation rate and population size and then by rerandomization point and elite selection. Selection method and the precision used within the chromosome to represent numerical values had least influence. Our findings are robust over 60 numerical optimization problems.

  2. The effectiveness of nutritional education among women aged 60-85 on the basis of anthropometric parameters and lipid profiles

    Science.gov (United States)

    Friedrich, Mariola; Goluch-Koniuszy, Zuzanna

    After several years of experience with guiding of an original program on health-promoting nutritional education for women during menopause, which by inducing changes in nutritional behaviour resulted in many favorable health promoting effects, on request of the students of the Association of Third Age University, an original educational program “Comprehensive stimulation of senior citizens to activity” was developed out and implemented. The objective of this study was to assess the effectiveness of four-month nutritional education and adjustments in diets of women aged 60-85, on the basis of the measurements of the selected lipid parameters in their blood tests This research project was joined by 37 female subjects aged 60-85, who are the members of the University of the Third Age in Szczecin, and whose average BMI was 31.7 kg/m2. Before the nutritional education commenced and after it was completed, the female subjects’ nutritional status was assessed (BMI, WC, WHR, WHtR) and the energy and nutritional value of their diets was examined based on the subjects’ regular journalkeeping. Keys’ atherogenic score in their diets were also computed. The applied nutritional education led to changes in the energy and nutritional value of the female subjects’ diets, which specifically improved their anthropometric parameters and the resulting BMI, WC and WHtR parameters. This fact was also reflected in a substantial decrease of the glucose level and a substantial increase of HDL-C level in the blood of the examined female subjects, as well as in the improvements in the assessed parameters TC/HDL-C, LDL-C/ HDL-C, TG/HDL-C. The analysis of the results allows to confirm, that the four-month nutritional education of elderly women resulted in changes of their erroneous dietary habits and an improvement in their nutrition.

  3. Laguerre-Gauss basis functions in observer models

    Science.gov (United States)

    Burgess, Arthur E.

    2003-05-01

    Observer models based on linear classifiers with basis functions (channels) are useful for evaluation of detection performance with medical images. They allow spatial domain calculations with a covariance matrix of tractable size. The term "channelized Fisher-Hotelling observer" will be used here. It is also called the "channelized Hotelling observer" model. There are an infinite number of basis function (channel ) sets that could be employed. Examples of channel sets that have been used include: difference of Gaussian (DOG) filters, difference of Mesa (DOM) filters and Laguerre-Gauss (LG) basis functions. Another option, sums of LG functions (LGS), will also be presented here. This set has the advantage of having no DC response. The effect of the number of images used to estimate model observer performance will be described, for both filtered 1/f3 noise and GE digital mammogram backgrounds. Finite sample image sets introduce both bias and variance to the estimate. The results presented here agree with previous work on linear classifiers. The LGS basis set gives a small but statistically significant reduction in bias. However, this may not be of much practical benefit. Finally, the effect of varying the number of basis functions included in the set will be addressed. It was found that four LG bases or three LGS bases are adequate.

  4. Analysis on effect of separation and purification of glycoprotein extracted from Camellia seeds and its functional activity as basis for the economic development of Camellia oleifera industry

    Directory of Open Access Journals (Sweden)

    Feng Aiguo

    2016-06-01

    Full Text Available Taking Camellia oleifera seeds as raw materials, this study explored extraction and purification of glycoprotein separated from Camellia seeds as well as its antitumor activity, aiming to provide a theoretical basis for the economic development of Camellia oleifera industry. Key impact factors of Camellia seed glycoprotein were extracted using buffer solution method and water extraction method and a regression model was set up. Methyl thiazolyl tetrazolium was used to evaluate the in vitro antitumor activity of glycoprotein extracted from Camellia seeds and Differential Scanning Calorimetry (DSC was used to measure its denaturation enthalpy value. Results indicated that protein and sugar yields were 8.96% and 17.05% respectively under optimal conditions when water extraction method was used. Crude glycoprotein extracted from Camellia oleifera had a certain inhibitory effect on human hepatoma cell HepG2, gastric cancer cell MGC-803 and breast cancer cell MCF-7 and crude glycoprotein extracted from Camellia oleifera by water-extraction and alcohol-precipitation method had a strong antitumor effect. Crude glycoprotein obtained in the two different ways was capable of scavenging DPPH, •OH and O2g- free radicals and also showed good reducing capacity. DSC measurement results revealed that specific rotation of COGP2a[α]n20${\\rm{COGP}}2{\\rm{a}}\\left[ \\alpha \\right]_n^{20} $ was - 32.5. Antitumor experiment in vitro showed that glycoprotein extracted from Camellia seeds in the two different ways had a certain inhibitory effect on HepG2, MGC-803 and MCF-7, which has important theoretical and realistic significances to promoting utilization value of camellia resources, strengthening Camellia oleifera’s comprehensive development and utilization of high added value as well as enriching types and functions of active glycoprotein.

  5. Effects of cluster vs. traditional plyometric training sets on maximal-intensity exercise performance.

    Science.gov (United States)

    Asadi, Abbas; Ramírez-Campillo, Rodrigo

    2016-01-01

    The aim of this study was to compare the effects of 6-week cluster versus traditional plyometric training sets on jumping ability, sprint and agility performance. Thirteen college students were assigned to a cluster sets group (N=6) or traditional sets group (N=7). Both training groups completed the same training program. The traditional group completed five sets of 20 repetitions with 2min of rest between sets each session, while the cluster group completed five sets of 20 [2×10] repetitions with 30/90-s rest each session. Subjects were evaluated for countermovement jump (CMJ), standing long jump (SLJ), t test, 20-m and 40-m sprint test performance before and after the intervention. Both groups had similar improvements (Psets methods resulted in greater adaptations in sprint performance, while the cluster sets method resulted in greater jump and agility adaptations. Copyright © 2016 The Lithuanian University of Health Sciences. Production and hosting by Elsevier Urban & Partner Sp. z o.o. All rights reserved.

  6. Effects of different set configurations on barbell velocity and displacement during a clean pull.

    Science.gov (United States)

    Haff, G Gregory; Whitley, Adrian; McCoy, Lora B; O'Bryant, Harold S; Kilgore, J Lon; Haff, Erin E; Pierce, Kyle; Stone, Michael H

    2003-02-01

    The effects of 3 types of set configurations (cluster, traditional, and undulating) on barbell kinematics were investigated in the present study. Thirteen men (track and field = 8; Olympic weightlifters = 5) (mean +/- SEM age, 23.4 +/- 1.1 years; height, 181.3 +/- 2.1 cm; body mass, 89.8 +/- 4.2 kg) performed 1 set of 5 repetitions in a cluster, traditional, and undulating fashion at 90 and 120% of their 1 repetition maximum (1RM) power clean (119.0 +/- 4.3 kg). All data were collected at 50 Hz and analyzed with a V-Scope Weightlifting Analysis System. Peak velocity (PV) and peak displacement (PD) were analyzed for each repetition and averaged for each set type. Results indicated that a significantly (p < 0.016) higher PV occurred during the cluster set when compared with the traditional sets at both intensities. PD was significantly higher than traditional sets at the 120% intensity. The present study suggests set configuration can affect PV and PD during clean pulls.

  7. Attentional set mixing: Effects on target selection and selective response activation.

    Science.gov (United States)

    Ruge, Hannes; Stoet, Gijsbert; Naumann, Ewald

    2006-07-01

    Performance is impaired under set mixing conditions that require frequent readjustments of attentional focus over an extended time period. We compared set repetitions within pure blocks (constant focus of attention) to physically identical repetitions within mixed blocks (changing focus of attention). The aim was to investigate how set mixing affects target selection, indexed by the N2pc component, and selective response activation, indexed by the lateralized readiness potential (LRP). We found that set mixing prolonged the evolution of the N2pc while leaving its onset unaffected. Impaired target selection indicated by the N2pc mixing effect also delayed the start of response planning indexed by an onset delay of the stimulus-locked LRP, explaining one part of the behavioral mixing cost. A larger part of mixing cost could be attributed to a prolonged response planning phase, indexed by an earlier onset of the response-locked LRP.

  8. Visual search for emotional expressions: Effect of stimulus set on anger and happiness superiority.

    Science.gov (United States)

    Savage, Ruth A; Becker, Stefanie I; Lipp, Ottmar V

    2016-01-01

    Prior reports of preferential detection of emotional expressions in visual search have yielded inconsistent results, even for face stimuli that avoid obvious expression-related perceptual confounds. The current study investigated inconsistent reports of anger and happiness superiority effects using face stimuli drawn from the same database. Experiment 1 excluded procedural differences as a potential factor, replicating a happiness superiority effect in a procedure that previously yielded an anger superiority effect. Experiments 2a and 2b confirmed that image colour or poser gender did not account for prior inconsistent findings. Experiments 3a and 3b identified stimulus set as the critical variable, revealing happiness or anger superiority effects for two partially overlapping sets of face stimuli. The current results highlight the critical role of stimulus selection for the observation of happiness or anger superiority effects in visual search even for face stimuli that avoid obvious expression related perceptual confounds and are drawn from a single database.

  9. Versatility of the mouse reversal/set-shifting test: effects of topiramate and sex.

    Science.gov (United States)

    Bissonette, Gregory B; Lande, Michelle D; Martins, Gabriela J; Powell, Elizabeth M

    2012-12-05

    The ability to learn a rule to guide behavior is crucial for cognition and executive function. However, in a constantly changing environment, flexibility in terms of learning and changing rules is paramount. Research suggests there may be common underlying causes for the similar rule learning impairments observed in many psychiatric disorders. One of these common anatomical manifestations involves deficits to the GABAergic system, particularly in the frontal cerebral cortical regions. Many common anti-epileptic drugs and mood stabilizers activate the GABA system with the reported adverse side effects of cognitive dysfunction. The mouse reversal/set-shifting test was used to evaluate effects in mice given topiramate, which is reported to impair attention in humans. Here we report that in mice topiramate prevents formation of the attentional set, but does not alter reversal learning. Differences in the GABA system are also found in many neuropsychiatric disorders that are more common in males, including schizophrenia and autism. Initial findings with the reversal/set-shifting task excluded female subjects. In this study, female mice tested on the standard reversal/set-shifting task showed similar reversal learning, but were not able to form the attentional set. The behavioral paradigm was modified and when presented with sufficient discrimination tasks, female mice performed the same as male mice, requiring the same number of trials to reach criterion and form the attentional set. The notable difference was that female mice had an extended latency to complete the trials for all discriminations. In summary, the reversal/set-shifting test can be used to screen for cognitive effects of potential therapeutic compounds in both male and female mice. Copyright © 2012 Elsevier Inc. All rights reserved.

  10. Constraining a hybrid volatility basis-set model for aging of wood-burning emissions using smog chamber experiments: a box-model study based on the VBS scheme of the CAMx model (v5.40)

    Science.gov (United States)

    Ciarelli, Giancarlo; El Haddad, Imad; Bruns, Emily; Aksoyoglu, Sebnem; Möhler, Ottmar; Baltensperger, Urs; Prévôt, André S. H.

    2017-06-01

    In this study, novel wood combustion aging experiments performed at different temperatures (263 and 288 K) in a ˜ 7 m3 smog chamber were modelled using a hybrid volatility basis set (VBS) box model, representing the emission partitioning and their oxidation against OH. We combine aerosol-chemistry box-model simulations with unprecedented measurements of non-traditional volatile organic compounds (NTVOCs) from a high-resolution proton transfer reaction mass spectrometer (PTR-MS) and with organic aerosol measurements from an aerosol mass spectrometer (AMS). Due to this, we are able to observationally constrain the amounts of different NTVOC aerosol precursors (in the model) relative to low volatility and semi-volatile primary organic material (OMsv), which is partitioned based on current published volatility distribution data. By comparing the NTVOC / OMsv ratios at different temperatures, we determine the enthalpies of vaporization of primary biomass-burning organic aerosols. Further, the developed model allows for evaluating the evolution of oxidation products of the semi-volatile and volatile precursors with aging. More than 30 000 box-model simulations were performed to retrieve the combination of parameters that best fit the observed organic aerosol mass and O : C ratios. The parameters investigated include the NTVOC reaction rates and yields as well as enthalpies of vaporization and the O : C of secondary organic aerosol surrogates. Our results suggest an average ratio of NTVOCs to the sum of non-volatile and semi-volatile organic compounds of ˜ 4.75. The mass yields of these compounds determined for a wide range of atmospherically relevant temperatures and organic aerosol (OA) concentrations were predicted to vary between 8 and 30 % after 5 h of continuous aging. Based on the reaction scheme used, reaction rates of the NTVOC mixture range from 3.0 × 10-11 to 4. 0 × 10-11 cm3 molec-1 s-1. The average enthalpy of vaporization of secondary organic aerosol

  11. Effects of setting angle and chord length on performance of four blades bionic wind turbine

    Science.gov (United States)

    Yang, Z. X.; Li, G. S.; Song, L.; Bai, Y. F.

    2017-11-01

    With the energy crisis and the increasing environmental pollution, more and more efforts have been made about wind power development. In this paper, a four blades bionic wind turbine was proposed, and the outline of wind turbine was constructed by the fitted curve. This paper attempted to research the effects of setting angle and chord length on performance of four blades bionic wind turbine by computational fluid dynamics (CFD) simulation. The results showed that the setting angle and chord length of the bionic wind turbine has some significant effects on the efficiency of the wind turbine, and within the range of wind speed from 7 m/s to 15 m/s, the wind turbine achieved maximum efficiency when the setting angle is 31 degree and the chord length is 125 mm. The conclusion will work as a guideline for the improvement of wind turbine design

  12. Key components of effective collaborative goal setting in the chronic care encounter.

    Science.gov (United States)

    Bigi, Sarah

    2014-01-01

    Collaborative goal setting in patient-provider communication with chronic patients is the phase in which--after collecting the data regarding the patient's health--it is necessary to make a decision regarding the best therapy and behaviors the patient should adopt until the next encounter. Although it is considered a pivotal phase of shared decision making, there remain a few open questions regarding its components and its efficacy: What are the factors that improve or impede agreement on treatment goals and strategies?; What are the 'success conditions' of collaborative goal setting?; How can physicians effectively help patients make their preferences explicit and then co-construct with them informed preferences to help them reach their therapeutic goals? Using the theoretical framework of dialogue types, an approach developed in the field of Argumentation Theory, it will be possible to formulate hypotheses on the success conditions' and effects on patient commitment of collaborative goal setting.

  13. Virtual endoscopy of the upper urinary tract based on contrast material-enhanced MR urography data sets; Virtuelle Endoskopie des oberen Harntraktes auf der Basis kontrastangehobener MR-Urographie Datensaetze

    Energy Technology Data Exchange (ETDEWEB)

    Nolte-Ernsting, C.C.A.; Krombach, G.; Staatz, G.; Kilbinger, M.; Adam, G.B.; Guenther, R.W. [RWTH Aachen (Germany). Klinik fuer Radiologische Diagnostik

    1999-06-01

    Purpose: To investigate the feasibility of reconstructing a virtual endoscopy from MR imaging data sets of the upper urinary tract. Method: The data obtained from 28 contrast-enhanced MR urographic examinations (5 normal; 23 pathologic) were post-processed to reconstruct a virtual ureterorenoscopy (VURS) using a threshold image segmentation. The visualization of the upper urinary tract was based on the acquisition of T{sub 1}-weighted 3D gradient-echo sequences after intravenous administration of gadolinium-DTPA and a prior injection of low-dose furosemide. Results: The employed MR urography technique created in all 28 cases a complete and strong contrast enhancement of the urinary tract. These 3D sequence data allowed the reconstruction of a VURS, even when the collecting system was not dilated. The best accuracy was provided by the MR urography sequences with the smallest voxel size. Moreover, the data acquisition based on a breath-hold technique has proved superior to that using a respiratory gating. Inside the renal pelvis, all calices could be assessed by turning the virtual endoscope in the appropriate direction. The visualization of the ureteral orifices in the bladder was also possible. All filling defects that were diagnosed by MR urography could be evaluated from the endoluminal view using the VURS. The exact characterization of the lesions based only on the assessment of the surface structure was difficult. Conclusion: A virtual endoscopy of the upper urinary tract can be successfully reconstructed using the data sets of high-resolution 3D MR urography sequences. (orig.) [Deutsch] Ziel: Untersuchungen zur Anwendung der virtuellen Endoskopie auf MR-tomographische Datensaetze des oberen Harntraktes. Methoden: Die Daten von 28 kontrastangehobenen MR-Urographien (5 normal; 23 pathologisch) wurden zur Erstellung einer virtuellen Ureterorenoskopie (VURS) mittels Schwellenwert-Bildsegmentierung nachverarbeitet. Als Grundlage fuer die Darstellung des Harntraktes

  14. Effects of acute restraint stress on set-shifting and reversal learning in male rats.

    Science.gov (United States)

    Thai, Chester A; Zhang, Ying; Howland, John G

    2013-03-01

    Exposure to acute stress alters cognition; however, few studies have examined the effects of acute stress on executive functions such as behavioral flexibility. The goal of the present experiments was to determine the effects of acute periods of stress on two distinct forms of behavioral flexibility: set-shifting and reversal learning. Male Sprague-Dawley rats were trained and tested in an operant-chamber-based task. Some of the rats were exposed to acute restraint stress (30 min) immediately before either the set-shifting test day or the reversal learning test day. Acute stress had no effect on set-shifting, but it significantly facilitated reversal learning, as assessed by both trials to criterion and total errors. In a second experiment, the roles of glucocorticoid (GR) and mineralocorticoid receptors (MR) in the acute-stress-induced facilitation of reversal learning were examined. Systemic administration of the GR-selective antagonist RU38486 (10 mg/kg) or the MR-selective antagonist spironolactone (50 mg/kg) 30 min prior to acute stress failed to block the facilitation on reversal learning. The present results demonstrate a dissociable effect of acute stress on set-shifting and reversal learning and suggest that the facilitation of reversal learning by acute stress may be mediated by factors other than corticosterone.

  15. Effect of 211At treating pollen and stigma on generative cells and seed setting of rice

    International Nuclear Information System (INIS)

    Jin Jiannan; Mo Shangwu; Liu Ning; Zhou Maolun; Zhang Shuyuan; Chen Fang; Zhang Yizheng; Gao Maoguo

    1998-01-01

    Low specific radioactivity (7.4 kBq/ml) 211 At treating pollen and stigma can obviously affect morphological structures and physiological functions of pollen, stigma and ovule or embryo sac cells, and cause injury. Results showed that because of the radiation effects the seed setting rate of rice was decreased, and the development of some embryos were affected and others became abnormal

  16. Effect of ultrasound training of physicians working in the prehospital setting

    DEFF Research Database (Denmark)

    Krogh, Charlotte Loumann; Steinmetz, Jacob; Rudolph, Søren Steemann

    2016-01-01

    BACKGROUND: Advances in technology have made ultrasound (US) devices smaller and portable, hence accessible for prehospital care providers. This study aims to evaluate the effect of a four-hour, hands-on US training course for physicians working in the prehospital setting. The primary outcome...

  17. The Effect of Goal Setting on Group Performance: A Meta-Analysis

    Science.gov (United States)

    Kleingeld, Ad; van Mierlo, Heleen; Arends, Lidia

    2011-01-01

    Updating and extending the work of O'Leary-Kelly, Martocchio, and Frink (1994), with this meta-analysis on goal setting and group performance we show that specific difficult goals yield considerably higher group performance compared with nonspecific goals (d = 0.80 plus or minus 0.35, k = 23 effect sizes). Moderately difficult and easy goals were…

  18. Effective Communication between Students and Lecturers: Improving Student-Led Communication in Educational Settings

    Science.gov (United States)

    Merdian, Hannah Lena; Warrior, John Kyle

    2015-01-01

    This study investigated students' communication preferences in educational settings, resulting in an empirical model of effective communication between students and lecturers. Students from a psychology department at a UK university were asked about their preferred communication tool for academic purposes, including social networking, emails,…

  19. Effect of sublethal preculturing on the survival of probiotics and metabolite formation in set-yoghurt

    NARCIS (Netherlands)

    Settachaimongkon, S.; Valenberg, van H.J.F.; Winata, V.; Wang, X.; Nout, M.J.R.; Hooijdonk, van A.C.M.; Zwietering, M.H.; Smid, E.J.

    2015-01-01

    The objective of this study was to investigate the effect of preculturing of Lactobacillus rhamnosus GG and Bifidobacterium animalis subsp. lactis BB12 under sublethal stress conditions on their survival and metabolite formation in set-yoghurt. Prior to co-cultivation with yoghurt starters in milk,

  20. Effect of fruit set on fructification of coconut tall ecotypes for ...

    African Journals Online (AJOL)

    To assess the effect of coconut fruit set on the variation expression of the number of nuts yielded at the end of the fructification, a modelling approach was used. Four female parents namely Kar Kar Tall (KKT), Kappadam Tall (KPD), Sri Lanka Tall (SLT) and Vanuatu Tall (VTT) as well as four male parents known as Panama ...

  1. The Effects of Goal-Setting and Self-Efficacy on the Job-Seeking ...

    African Journals Online (AJOL)

    The study investigated the effectiveness of goal-setting and self-efficacy on the job-seeking behaviour of unemployed graduates. The intervention strategies were crossed with gender as a moderator variable using pre- and post-test experimental control group design. Data analysis involved analysis of covariance and ...

  2. Shining lights and bad apples : The effect of goal setting on group performance

    NARCIS (Netherlands)

    Curseu, P.L.; Janssen, S.E.A.; Meeus, M.T.H.

    2014-01-01

    Management education programs increasingly use group work as a tool for developing teamwork knowledge and skills. A critical factor identified in prior research to influence group performance in student groups is goal-setting. We test in a sample of 37 groups the effect of group goal configurations

  3. An Exploration of the Effectiveness of an Audit Simulation Tool in a Classroom Setting

    Science.gov (United States)

    Zelin, Robert C., II

    2010-01-01

    The purpose of this study was to examine the effectiveness of using an audit simulation product in a classroom setting. Many students and professionals feel that a disconnect exists between learning auditing in the classroom and practicing auditing in the workplace. It was hoped that the introduction of an audit simulation tool would help to…

  4. The Effect of Teaching Structural Discourse Markers in an EFL Classroom Setting

    Science.gov (United States)

    Alraddadi, Budoor Muslim

    2016-01-01

    This study aimed to explore the effects of explicit teaching on the acquisition of spoken discourse markers (DMs) on EFL learners' presentation production. It also aimed to measure the impact of two different treatments on the acquisition of a set of DMs. This study is an experimental study and focuses on the overall production of spoken…

  5. Effects of Crew Resource Management Training on Medical Errors in a Simulated Prehospital Setting

    Science.gov (United States)

    Carhart, Elliot D.

    2012-01-01

    This applied dissertation investigated the effect of crew resource management (CRM) training on medical errors in a simulated prehospital setting. Specific areas addressed by this program included situational awareness, decision making, task management, teamwork, and communication. This study is believed to be the first investigation of CRM…

  6. Effects of row spacing and seed rate on onion quality and set yield ...

    African Journals Online (AJOL)

    The effect of sowing schemes and seed rates on onion sets yield and quality was investigated in 1999 – 2000 at the Lithuanian Institute of Horticulture. Seeds were sown according two schemes: (8 + 15) X 4 + 63 and (8 + 27) X 3 + 61. In each of them seed rates were 14; 17; 20; 23; 26 mlnha. The highest yield of standard ...

  7. Effects of selected pre-treatments on the setting of cement composite ...

    African Journals Online (AJOL)

    The effects of aqueous extraction and removal of silified epidermis from rattan canes on the maximum hydration temperature (Tmax) and setting time (tmax) of two rattan cane species, Calamus deerratus and Lacosperma secundiflorum, mixed with Portland cement were investigated. Tmax ranged from 37.0 to 58.60C and ...

  8. Cost-effectiveness analysis for priority setting in health: penny-wise but pound-foolish.

    NARCIS (Netherlands)

    Baltussen, R.M.P.M.; Brouwer, W.; Niessen, L.

    2005-01-01

    Cost-effectiveness analysis has much conceptual attractiveness in priority setting but is not used to its full potential to assist policy-makers on making choices in health in developed or in developing countries. We call for a shift away from present economic evaluation activities-that tend to

  9. Effect of Sugar Cane Juice on Slump Values, Setting Times and ...

    African Journals Online (AJOL)

    The effect of sugar cane juice, (SCJ) on slump values, setting time and compressive strength of concrete cubes was investigated. A total of 32 concrete cubes of size 150x150x150mm with a mix ratio of 1:2:4 were cast with different percentages of unfermented sugar cane juice replacing some proportion of water in the ...

  10. Viscosity of Dysphagia-Oriented Cold-Thickened Beverages: Effect of Setting Time at Refrigeration Temperature

    Science.gov (United States)

    Kim, Sung-Gun; Yoo, Byoungseung

    2015-01-01

    Background: Although extensive literature is available on the viscosity of thickened beverages with food thickeners, no attempt has been made to study the effect of setting time on the viscosity of pudding-like cold-thickened beverages with xanthan gum (XG)-based thickeners by using a rheometer. In particular, it is of considerable practical…

  11. The Applicability of the Empathic Set Effect to Modify Perceptions of Domestic Violence.

    Science.gov (United States)

    Skiffington, Stephen T.; And Others

    1984-01-01

    Investigated the application of the empathic set effect to perceptions of domestic violence in college students (N=116). Results indicated that observers can be induced to make attributions about another's behavior that consider environmental factors as contributing to behavior and not attribute such behavior solely to internal or dispositional…

  12. New angular quadrature sets: effect on the conditioning number of the LTSN two dimensional transport matrix

    International Nuclear Information System (INIS)

    Hauser, Eliete Biasotto; Romero, Debora Angrizano

    2009-01-01

    The main objective of this work is to utilize a new angular quadrature sets based on Legendre and Chebyshev polynomials, and to analyse their effects on the number of LTS N matrix conditioning for the problem of discrete coordinates of neutron transport with two dimension cartesian geometry with isotropic scattering, and an energy group, in non multiplicative homogenous domains

  13. Beyond main effects of gene?sets: harsh parenting moderates the association between a dopamine gene?set and child externalizing behavior

    OpenAIRE

    Windhorst, Dafna A.; Mileva?Seitz, Viara R.; Rippe, Ralph C. A.; Tiemeier, Henning; Jaddoe, Vincent W. V.; Verhulst, Frank C.; van IJzendoorn, Marinus H.; Bakermans?Kranenburg, Marian J.

    2016-01-01

    textabstractBackground: In a longitudinal cohort study, we investigated the interplay of harsh parenting and genetic variation across a set of functionally related dopamine genes, in association with children's externalizing behavior. This is one of the first studies to employ gene-based and gene-set approaches in tests of Gene by Environment (G × E) effects on complex behavior. This approach can offer an important alternative or complement to candidate gene and genome-wide environmental inte...

  14. The Effect of EHR System Setting on Fuel Consumption and Tractor Engine Speed Variation

    Directory of Open Access Journals (Sweden)

    Dušan Slimařík

    2015-01-01

    Full Text Available The work is aimed on possibilities of fuel consumption reduction via EHR system setting with the influence on tractor engine speed variation. During tractor utilization in agricultural applications fuel consumption is measured and evaluated. The main objective of this text is fuel consumption reduction verification. Firstly, article describes tractor engine parameters acquirement. Complete engine characteristic is obtained from laboratory experiments. This was essential step for lowest fuel consumption area detecting. Next, the principle of EHR system function is clarified. Then connection between complete engine characteristic and EHR system setting interaction is mentioned and the aim of field measurement is set. Another part is devoted to field measurement conditions and EHR system setting. This part is essential for the possibility of field measurement re-examination. Deep plowing with John Deere 6920S and Lemken Vari Diamant 10 was realized. The EHR various settings were examined and their effect on tractor engine speed variation was observed. The results show possibility of fuel consumption reduction. The properly chosen aggregation of tractor power and plough type with correct electro-hydraulic system setting brings fuel consumption reduction. This conclusion may be used for fuel savings in global scale for better economic utilization of tractor.

  15. An experimental examination of the house money effect in a multi-period setting

    OpenAIRE

    Ackert, Lucy F.; Charupat, Narat; Church, Bryan K.; Tompkins, James; Deaves, Richard

    2003-01-01

    There is evidence that risk-taking behavior is influenced by prior monetary gains and losses. When endowed with house money, people become more risk taking. This paper is the first to report a house money effect in a dynamic, financial setting. Using an experimental method, the authors compare market outcomes across sessions that differ in the level of cash endowment (low and high). Their experimental results provide strong support for a house money effect. Traders' bids, price predictions, a...

  16. Estimating the effects of casinos and of lotteries on bankruptcy: a panel data set approach.

    Science.gov (United States)

    Daraban, Bogdan; Thies, Clifford F

    2011-03-01

    Using newly-constructed estimates of state revenue or its equivalent from casino-type and lottery gambling and panel data set regression techniques, a small but statistically significant bankruptcy effect is found. Assuming a linear relationship between gambling and the rate of personal bankruptcies, casino-type gambling increases bankruptcies by about 2%. Lottery gambling, while less potent per dollar of revenue generated, has about the same total effect.

  17. Effects on fatigue life of gate valves due to higher torque switch settings during operability testing

    International Nuclear Information System (INIS)

    Richins, W.D.; Snow, S.D.; Miller, G.K.; Russell, M.J.; Ware, A.G.

    1995-12-01

    Some motor operated valves now have higher torque switch settings due to regulatory requirements to ensure valve operability with appropriate margins at design basis conditions. Verifying operability with these settings imposes higher stem loads during periodic inservice testing. These higher test loads increase stresses in the various valve internal parts which may in turn increase the fatigue usage factors. This increased fatigue is judged to be a concern primarily in the valve disks, seats, yokes, stems, and stem nuts. Although the motor operators may also have significantly increased loading, they are being evaluated by the manufacturers and are beyond the scope of this study. Two gate valves representative of both relatively weak and strong valves commonly used in commercial nuclear applications were selected for fatigue analyses. Detailed dimensional and test data were available for both valves from previous studies at the Idaho National Engineering Laboratory. Finite element models were developed to estimate maximum stresses in the internal parts of the valves and to identity the critical areas within the valves where fatigue may be a concern. Loads were estimated using industry standard equations for calculating torque switch settings prior and subsequent to the testing requirements of USNRC Generic Letter 89--10. Test data were used to determine both; (1) the overshoot load between torque switch trip and final seating of the disk during valve closing and (2) the stem thrust required to open the valves. The ranges of peak stresses thus determined were then used to estimate the increase in the fatigue usage factors due to the higher stem thrust loads. The usages that would be accumulated by 100 base cycles plus one or eight test cycles per year over 40 and 60 years of operation were calculated

  18. The Effects of Bottom Ash on Setting Time and Compressive Strength of Fly Ash Geopolymer Paste

    Science.gov (United States)

    Affandhie, B. A.; Kurniasari, P. T.; Darmawan, M. S.; Subekti, S.; Wibowo, B.; Husin, N. A.; Bayuaji, R.; Irawan, S.

    2017-11-01

    This research is to find out the contribution of waste energy utilization of fly ash and bottom ash coal as binding agent of geopolymer concrete. This research methodology uses experimental approach in laboratory by making cylinder paste test object with dimension diameter of 2.5 cm x height 5 cm with some combination of fly ash and bottom ash mix with time setting test (ASTM C 191-04a) and compressive strength (ASTM C 39-04a). The research concludes that the effect of bottom ash on fly ash-based geopolymer paste shows good results in setting time and compressive strength.

  19. The hemodynamic basis for positional- and inter-fetal dependent effects in dual arterial supply of mouse pregnancies.

    Directory of Open Access Journals (Sweden)

    Tal Raz

    Full Text Available In mammalian pregnancy, maternal cardiovascular adaptations must match the requirements of the growing fetus(es, and respond to physiologic and pathologic conditions. Such adaptations are particularly demanding for mammals bearing large-litter pregnancies, with their inherent conflict between the interests of each individual fetus and the welfare of the entire progeny. The mouse is the most common animal model used to study development and genetics, as well as pregnancy-related diseases. Previous studies suggested that in mice, maternal blood flow to the placentas occurs via a single arterial uterine loop generated by arterial-arterial anastomosis of the uterine artery to the uterine branch of the ovarian artery, resulting in counter bi-directional blood flow. However, we provide here experimental evidence that each placenta is actually supplied by two distinct arterial inputs stemming from the uterine artery and from the uterine branch of the ovarian artery, with position-dependent contribution of flow from each source. Moreover, we report significant positional- and inter-fetal dependent alteration of placental perfusion, which were detected by in vivo MRI and fluorescence imaging. Maternal blood flow to the placentas was dependent on litter size and was attenuated for placentas located centrally along the uterine horn. Distinctive apposing, inter-fetal hemodynamic effects of either reduced or elevated maternal blood flow, were measured for placenta of normal fetuses that are positioned adjacent to either pathological, or to hypovascular Akt1-deficient placentas, respectively. The results reported here underscore the critical importance of confounding local and systemic in utero effects on phenotype presentation, in general and in the setting of genetically modified mice. The unique robustness and plasticity of the uterine vasculature architecture, as reported in this study, can explain the ability to accommodate varying litter sizes, sustain

  20. The strain effect in the surface barrier structures prepared on the basis of n-Si and p-Si

    International Nuclear Information System (INIS)

    Mamatkarimov, O.O.; Tuychiev, U.A.

    2004-01-01

    Full text: One of the ways of creation of large deformations in small volume of the semiconductor is the deformation created by a needle. At insignificant change of external influence the large deformation under a needle in small volume of the semiconductor the significant change of electrophysical parameters of the semiconductor in small volume is created. Therefore, in the present work the results of researches of local pressure influence on physical properties of surface barrier structures has been performed on the basis of silicon with Ni and Mn impurity. The relative changes of a direct current made on the basis n-Si and p-Si from a different degree of compensation are given depending on size of local pressure are shown. Change of current in structures Au-Si -Sb with specific resistance of base ρ=80 Ω·cm and ρ=200 Ω·cm are I p /I 0 =3-3.5 times and I P /I ) =2-2.5 times at pressure P=1.6·10 8 Pa respectively. These data show, that in structures received on the basis of initial silicon, change of a direct current with pressure is in inverse proportion to size of resistance of base of the diode. And in structures Au-Si -Sb with specific resistance of base ρ=5·10 2 Ω·cm and ρ=3·10 3 Ω·cm these changes accordingly are I P /I 0 =7 and I P /I 0 =14. Changes of direct current relative to initial value for structures on the basis p-Si with specific resistance ρ=7·10 2 Ω·cm and ρ=4·10 3 Ω·cm) are I P /I 0 =9 and I P /I 0 =16 respectively. The same changes of direct current of structures on the basis P-Si at local pressure are I P /I 0 =2-2.5. The given values I P /I 0 testify that as in structures Au-Si -Sb, and structures Sb-p-Si -Au, unlike structures on the basis of initial silicon, the values I P /I 0 are increased with increase of specific resistance of base of structures

  1. Effects of setting angle on performance of fish-bionic wind wheel

    Science.gov (United States)

    Li, G. S.; Yang, Z. X.; Song, L.; Chen, Q.; Li, Y. B.; Chen, W.

    2016-08-01

    With the energy crisis and the increasing environmental pollutionmore and more efforts have been made about wind power development. In this paper, a new type of vertical axis named the fish-bionic wind wheel was proposed, and the outline of wind wheel was constructed by curve of Fourier fitting and polynomial equations. This paper attempted to research the relationship between the setting angle and the wind turbine characteristics by computational fluid dynamics (CFD) simulation. The results showed that the setting angle of the fish-bionic wind wheel has some significant effects on the efficiency of the wind turbine, Within the range of wind speed from 13m/s to 15m/s, wind wheel achieves the maximum efficiency when the setting angle is at 37 degree. The conclusion will work as a guideline for the improvement of wind turbine design.

  2. Effect of additives on mineral trioxide aggregate setting reaction product formation.

    Science.gov (United States)

    Zapf, Angela M; Chedella, Sharath C V; Berzins, David W

    2015-01-01

    Mineral trioxide aggregate (MTA) sets via hydration of calcium silicates to yield calcium silicate hydrates and calcium hydroxide (Ca[OH]2). However, a drawback of MTA is its long setting time. Therefore, many additives have been suggested to reduce the setting time. The effect those additives have on setting reaction product formation has been ignored. The objective was to examine the effect additives have on MTA's setting time and setting reaction using differential scanning calorimetry (DSC). MTA powder was prepared with distilled water (control), phosphate buffered saline, 5% calcium chloride (CaCl2), 3% sodium hypochlorite (NaOCl), or lidocaine in a 3:1 mixture and placed in crucibles for DSC evaluation. The setting exothermic reactions were evaluated at 37°C for 8 hours to determine the setting time. Separate samples were stored and evaluated using dynamic DSC scans (37°C→640°C at10°C/min) at 1 day, 1 week, 1 month, and 3 months (n = 9/group/time). Dynamic DSC quantifies the reaction product formed from the amount of heat required to decompose it. Thermographic peaks were integrated to determine enthalpy, which was analyzed with analysis of variance/Tukey test (α = 0.05). Isothermal DSC identified 2 main exothermal peaks occurring at 44 ± 12 and 343 ± 57 minutes for the control. Only the CaCl2 additive was an accelerant, which was observed by a greater exothermic peak at 101 ± 11 minutes, indicating a decreased setting time. The dynamic DSC scans produced an endothermic peak around 450°C-550°C attributed to Ca(OH)2 decomposition. The use of a few additives (NaOCl and lidocaine) resulted in significantly less Ca(OH)2 product formation. DSC was used to discriminate calcium hydroxide formation in MTA mixed with various additives and showed NaOCl and lidocaine are detrimental to MTA reaction product formation, whereas CaCl2 accelerated the reaction. Copyright © 2015 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  3. Acute effect of passive rest intervals and stretching exercise on multiple set performance

    Directory of Open Access Journals (Sweden)

    Antonio Claudio do Rosário Souza

    2009-01-01

    Full Text Available http://dx.doi.org/10.5007/1980-0037.2009v11n4p435 The objective of this study was to determine the acute effect of passive rest intervals and static stretching between resistance exercise sets on the number of maximal repetitions (RM, rating of perceived exertion (RPE, and cumulative number of repetitions in multiple sets with a workload adjusted by the 8RM test. Fourteen trained male subjects (24.4 ± 2.1 years; 79.1 ± 7.1 kg; 175.4 ± 5.6 cm were studied. On the first two visits, the subjects were submitted to the test and 8RM re-test using chest press (CP and squat (SQ exercises. On the two subsequent visits, all subjects were randomly assigned to two experimental situations: a 8RM test with a passive rest interval (PI; b 8RM test with static stretching (SS. The subjects performed three sets of CP and SQ, intercalated with 2 minutes of passive rest or 30 seconds of static stretching. ANOVA revealed a significant decrease (p < 0.05 in the second (PI = 6 ± 0.8 x SS = 5.2 ± 1.0 repetitions and third (PI = 4.1 ± 0.8 X SS = 3.3 ± 0.6 repetitions sets for CP and only in the third set (PI = 4.9 ± 0.8 X SS = 4.2 ± 1.0 repetitions for SQ. For RPE, the Wilcoxon test showed significant differences (p < 0.05 between all sets for CP and SQ. For the cumulative number of repetitions, the paired t-test revealed a significant decrease (p < 0.05 for CP (PI = 18.3 ± 1.5 X SS = 16.8 ± 1.6 repetitions. These results indicate that static stretching between resistance exercise sets decreases 8RM test performance.

  4. Cost-Effectiveness Analysis of Dental Sealants versus Fluoride Varnish in a School-Based Setting.

    Science.gov (United States)

    Neidell, Matthew; Shearer, Barbara; Lamster, Ira B

    2016-01-01

    While sealants are more effective than fluoride varnish in reducing the development of new carious lesions on occlusal surfaces, and a course of treatment requires fewer clinical visits, they are more expensive per application. This analysis assessed which treatment is more cost-effective. We estimate the costs of sealants and fluoride varnish over a 4-year period in a school-based setting, and compare this to existing estimates of the relative benefits in terms of caries reduction to calculate the relative cost-effectiveness of these two preventive treatments. In our base case scenario, varnish is more cost-effective in preventing caries. Allowing for caries benefits to nonocclusal surfaces further improves the cost-effectiveness of varnish. Although we found that varnish is more cost-effective, the results are context specific. Sealants become equally cost-effective if a dental hygienist applies the sealants instead of a dentist, while varnish becomes increasingly cost-effective when making comparisons outside of a traditional dental clinic setting. © 2016 The Author(s) Published by S. Karger AG, Basel.

  5. Effects of single vs. multiple-set short-term strength training in elderly women.

    Science.gov (United States)

    Radaelli, Regis; Wilhelm, Eurico N; Botton, Cíntia E; Rech, Anderson; Bottaro, Martim; Brown, Lee E; Pinto, Ronei S

    2014-01-01

    The strength training has been shown to be effective for attenuating the age-related physiological decline. However, the adequate volume of strength training volume adequate to promote improvements, mainly during the initial period of training, still remains controversial. Thus, the purpose of this study was to compare the effects of a short-term strength training program with single or multiple sets in elderly women. Maximal dynamic (1-RM) and isometric strength, muscle activation, muscle thickness (MT), and muscle quality (MQ = 1-RM and MT quadriceps quotient) of the knee extensors were assessed. Subjects were randomly assigned into one of two groups: single set (SS; n = 14) that performed one set per exercise or multiple sets (MS; n = 13) that performed three-sets per exercise, twice weekly for 6 weeks. Following training, there were significant increases (p ≤ 0.05) in knee extension 1-RM (16.1 ± 12 % for SS group and 21.7 ± 7.7 % for MS group), in all MT (p ≤ 0.05; vastus lateralis, rectus femoris, vastus medialis, and vastus intermedius), and in MQ (p ≤ 0.05); 15.0 ± 12.2 % for SS group and 12.6 ± 7.2 % for MS group), with no differences between groups. These results suggest that during the initial stages of strength training, single- and multiple-set training demonstrate similar capacity for increasing dynamic strength, MT, and MQ of the knee extensors in elderly women.

  6. Assessing effects of variation in global climate data sets on spatial predictions from climate envelope models

    Science.gov (United States)

    Romañach, Stephanie; Watling, James I.; Fletcher, Robert J.; Speroterra, Carolina; Bucklin, David N.; Brandt, Laura A.; Pearlstine, Leonard G.; Escribano, Yesenia; Mazzotti, Frank J.

    2014-01-01

    Climate change poses new challenges for natural resource managers. Predictive modeling of species–environment relationships using climate envelope models can enhance our understanding of climate change effects on biodiversity, assist in assessment of invasion risk by exotic organisms, and inform life-history understanding of individual species. While increasing interest has focused on the role of uncertainty in future conditions on model predictions, models also may be sensitive to the initial conditions on which they are trained. Although climate envelope models are usually trained using data on contemporary climate, we lack systematic comparisons of model performance and predictions across alternative climate data sets available for model training. Here, we seek to fill that gap by comparing variability in predictions between two contemporary climate data sets to variability in spatial predictions among three alternative projections of future climate. Overall, correlations between monthly temperature and precipitation variables were very high for both contemporary and future data. Model performance varied across algorithms, but not between two alternative contemporary climate data sets. Spatial predictions varied more among alternative general-circulation models describing future climate conditions than between contemporary climate data sets. However, we did find that climate envelope models with low Cohen's kappa scores made more discrepant spatial predictions between climate data sets for the contemporary period than did models with high Cohen's kappa scores. We suggest conservation planners evaluate multiple performance metrics and be aware of the importance of differences in initial conditions for spatial predictions from climate envelope models.

  7. Modelling of Effective Dose in the Forests of the Chernobyl Zone on the Basis of the Monte-Carlo Method

    International Nuclear Information System (INIS)

    Savushkin, I.A.; Gurko, O.B.; Ravkova, E.I.; Lurjanov, A.V.

    1999-01-01

    The mathematical code for evaluation of external gamma- radiation does rate in three-dimensional geometry on the basis of Monte-CarIo method was developed and realized. Using this code the results, which can be applied in practice were obtained. The does rate estimations in radioactive forest for different gamma-emitters allow to work out the safest scenario of forest harvesting work in the contaminated territories from a point of view of the radioactive protection of staff

  8. Effect of temperature on the setting time of Mineral Trioxide Aggregate (MTA).

    Science.gov (United States)

    Sharifi, R; Araghid, A; Ghanem, S; Fatahi, A

    2015-01-01

    Introduction: Mineral trioxide aggregate (MTA) has numerous applications in dentistry due to various advantages. However, its long setting time has still remained a problem. The current study was conducted to investigate the effect of temperature (ambient and distilled water temperature) on the setting time of mineral trioxide aggregate (MTA). Materials and methods: This experimental study comprised of two parts. In the first part, MTA and distilled water samples were kept at ambient temperature for 24 hours (before mixing: effect of distilled water temperature on the setting time of MTA and after mixing: effect of distilled water and ambient temperature on the setting time of MTA), and analyzed and divided into three groups: group 1 (4°C), group 2 (37°C) and group 3 (90°C). The mixed samples were placed in the glass cylinders with an internal diameter of 8 mm and a height of 10 mm, and kept at 37°C temperature and 100% humidity. In the second part, the samples were prepared the same as those of the first part and divided into three groups according to the terms of maintenance: group 1 (4°C), group 2 (37°C) and group 3 (75°C). The mixed samples were then put in glass cylinders with an internal diameter of 8 mm and a height of 10 mm and the samples of groups 1, 2 and 3 were kept at 4, 37 and 75 °C, respectively. At the end of each part, the primary and final setting times were measured by Gilmore needle. Data were analyzed by SPSS using Kruskal-Wallis test (pMTA for the samples of both parts of the study with an increase in ambient temperature (pMTA.

  9. The effectiveness of motivational interviewing for health behaviour change in primary care settings: a systematic review.

    Science.gov (United States)

    Morton, Katie; Beauchamp, Mark; Prothero, Anna; Joyce, Lauren; Saunders, Laura; Spencer-Bowdage, Sarah; Dancy, Bernadette; Pedlar, Charles

    2015-01-01

    Motivational interviewing (MI) is a patient-centred approach to behaviour change that was originally developed in the addiction field but has increasingly been applied to public health settings with a focus on health promotion. The purpose of this review was to examine the evidence base for MI interventions in primary care settings with non-clinical populations to achieve behaviour change for physical activity, dietary behaviours and/or alcohol intake. We also sought to explore the specific behaviour change techniques included in MI interventions within primary care. Electronic databases were searched for relevant articles and 33 papers met inclusion criteria and were included. Approximately 50% of the included studies (n = 18) demonstrated positive effects in relation to health behaviour change. The efficacy of MI approaches is unclear given the inconsistency of MI descriptions and intervention components. Furthermore, research designs that do not isolate the effects of MI make it difficult to determine the effectiveness of such approaches. We offer a number of recommendations for researchers and practitioners seeking to include MI within behaviour change interventions to help improve the quality of the research and the effectiveness of MI-based interventions within primary care settings.

  10. Demographic effects on fruit set in the dioecious shrub Canada buffaloberry (Shepherdia canadensis

    Directory of Open Access Journals (Sweden)

    Kate M. Johnson

    2014-08-01

    Full Text Available The effects of pollen limitation on reproductive success in plants have been well-documented using pollen supplementation experiments. However, the role of local demographics in determining pollen limitation, particularly in terms of the additive and interactive effects of pollen availability and competition are not well known. We measured fruit set in the dioecious shrub Canada buffaloberry (Shepherdia canadensis in Central Alberta, Canada to evaluate whether local demographics measured at three spatial scales (25, 50, and 100 m2 affect fruit set in buffaloberry. We test whether density-dependence (population density, pollen donor (measured as male density, distance to nearest male plant and size of nearest male plant, female competitor (measured as female density and distance to nearest female plant, or the combined pollen donor and competitor hypotheses best explain natural variations in fruit set for a population of Canada buffaloberry. Support was highest for the combined pollen donor and competitor hypothesis at an intermediate spatial scale of 50 m2. Proportion fruit set increased with male shrub density (pollen donors and decreased with female shrub density (pollen competitors, but was more affected by the presence of males than females. This illustrates that access to male shrubs within a 3.99 m radius affects pollen availability, while nearby females compete intra-specifically for pollen.

  11. Ecosystems effects 25 years after Chernobyl: pollinators, fruit set and recruitment.

    Science.gov (United States)

    Møller, Anders Pape; Barnier, Florian; Mousseau, Timothy A

    2012-12-01

    Animals are assumed to play a key role in ecosystem functioning through their effects on seed set, seed consumption, seed dispersal, and maintenance of plant communities. However, there are no studies investigating the consequences of animal scarcity on seed set, seed consumption and seed dispersal at large geographical scales. We exploited the unprecedented scarcity of pollinating bumblebees and butterflies in the vicinity of Chernobyl, Ukraine, linked to the effects of radiation on pollinator abundance, to test for effects of pollinator abundance on the ecosystem. There were considerably fewer pollinating insects in areas with high levels of radiation. Fruit trees and bushes (apple Malus domestica, pear Pyrus communis, rowan Sorbus aucuparia, wild rose Rosa rugosa, twistingwood Viburnum lantana, and European cranberry bush Viburnum opulus) that are all pollinated by insects produced fewer fruit in highly radioactively contaminated areas, partly linked to the local reduction in abundance of pollinators. This was the case even when controlling for the fact that fruit trees were generally smaller in more contaminated areas. Fruit-eating birds like thrushes and warblers that are known seed dispersers were less numerous in areas with lower fruit abundance, even after controlling for the effects of radiation, providing a direct link between radiation, pollinator abundance, fruit abundance and abundance of frugivores. Given that the Chernobyl disaster happened 25 years ago, one would predict reduced local recruitment of fruit trees if fruit set has been persistently depressed during that period; indeed, local recruitment was negatively related to the level of radiation and positively to the local level of fruit set. The patterns at the level of trees were replicated at the level of villages across the study site. This study provides the first large-scale study of the effects of a suppressed pollinator community on ecosystem functioning.

  12. Effects of different pollination combinations on fruit set in some lemon varieties

    Directory of Open Access Journals (Sweden)

    Gülay DEMİR

    2015-12-01

    Full Text Available Some new lemon varieties and some standart lemon varieties were used as plant material in the planned project. The effects of selfing, crossing and reciprocal crossing methods on fruit set were investigated. The study was carried out in Batı Akdeniz Agricultural Research Institute’s fruit department station in 2011-2012 years. In the study, it was determined the effects of self-pollination, naturel open pollination and reciprocal pollination on fruit set of limon varieties (BATEM Pınarı, BATEM Sarısı, Interdonato, Kütdiken, Italyan Memeli, Meyer, Lamas. According to results, İtalyan Memeli lemon with 35.17% was determined the highest rate on account of percentage of fruits at harvest time.

  13. Effectiveness of communication strategies for deaf or hard of hearing workers in group settings.

    Science.gov (United States)

    Haynes, Scott

    2014-01-01

    In group settings, background noise and an obstructed view of the speaker are just a few of the issues that can make workplace communication difficult for an individual who is deaf or hard of hearing. Accommodation strategies such as amplification of the speaker's voice or the use of text-based alternatives exist to address these issues. However, recent studies have shown that there are still unmet needs related to workplace communication in group settings for individuals who are deaf or hard of hearing. Identify the most common strategies used by individuals who are deaf or hard of hearing to improve communication in group settings and gauge the perceived effectiveness of those strategies. An online survey was conducted with individuals who self-identified as deaf or hard of hearing. The survey presented specific communication strategies based on three functional approaches (aural/oral, text, visual). The strategies applied to both receptive and expressive communication in five different meeting types ranging in size and purpose. 161 adults (age 22-90 yrs.) with limited hearing ability completed the survey. Text-based strategies were typically the least frequently used strategies in group settings, yet they ranked high in perceived effectiveness for receptive and expressive communication. Those who used an interpreter demonstrated a strong preference for having a qualified interpreter present in the meeting rather than an interpreter acting remotely. For expressive communication, participants in general preferred to use their own voice or signing abilities and ranked those strategies as highly effective. A more accessible workplace for individuals who are deaf or hard of hearing would incorporate more ubiquitous text-based strategy options. Also, qualified interpreters, when used, should be present in the meeting for maximum effectiveness.

  14. Effect of purified oat ß-glucan on fermentation of set-style yogurt mix

    Science.gov (United States)

    Effect of ß-glucan on the fermentation of set-style yogurt was investigated by incorporating 0, 0.1, 0.2, 0.3, 0.4, and 0.5% of ß-glucan into the yogurt mix. It was found that levels up to 0.3% resulted in yogurts with quality characteristics similar to the control yogurt. Higher levels of ß-gluca...

  15. Analysis of Atmospheric Aerosol Data Sets and Application of Radiative Transfer Models to Compute Aerosol Effects

    Science.gov (United States)

    Schmid, Beat; Bergstrom, Robert W.; Redemann, Jens

    2002-01-01

    This report is the final report for "Analysis of Atmospheric Aerosol Data Sets and Application of Radiative Transfer Models to Compute Aerosol Effects". It is a bibliographic compilation of 29 peer-reviewed publications (published, in press or submitted) produced under this Cooperative Agreement and 30 first-authored conference presentations. The tasks outlined in the various proposals are listed below with a brief comment as to the research performed. Copies of title/abstract pages of peer-reviewed publications are attached.

  16. Effect of setting with various temperatures on gel forming properties of farmed carp (Cyprinus carpio surimi

    Directory of Open Access Journals (Sweden)

    SH Zamaninejad

    2015-05-01

    Full Text Available Freshwater aquaculture especially hydrothermal fish is increased in recent years. In Chinese carp aquaculture, common carp (CyprinusCarpiocomprises the 15-20 percent of the aquaculture system. Foods obtained from farmed carps could be turn into value-added and ready to eat products such as sausages, salami, burgers and etc. Surimi is one of the intermediate products to make ready to eat foods. Texture properties of surimi products depend mainly on its gelation ability. Through basic preparation of fish paste (setting for last cooking it would be possible to produce stronger gels. In this research the effect of high and low temperature setting on gelation characteristics of farmed common carp surimi wasinvestigated. For this end, control, kamaboko and suwari treatments were considered. Suwari and kamaboko gels were located at 35°C for 1 hour followed by storage at 4 °C for 12 hours. After setting the suwari gels were cooled,however kamaboko gels were cooked prior to cooling.All samples were examined for water holding capacity, protein solubility, soluble peptides, gel electrophoresis (SDS-PAGE, puncture test and color evaluation. According to the results the lowest rate of whiteness and L* indices were observed in control group. Set gels at 35 °C demonstrated the highest strength, water holding capacity and soluble peptides in TCA and also had the lowest protein solubility and molecule weight of myosin. The results showed that set gels in high temperature results in better physicochemical properties than the gels set at low temperature.

  17. Effect of different rest intervals between sets in the growth hormone concentrations in trained older women

    Directory of Open Access Journals (Sweden)

    José Claudio Jambassi Filho

    2015-02-01

    Full Text Available DOI: http://dx.doi.org/10.5007/1980-0037.2015v17n2p216   The use of shorter rest intervals (RI between sets of weight exercises has demonstrated to be a strategy to cause elevations of growth hormone concentrations (GH in young adults. However, is not yet well established whether the magnitude of these elevations is influenced by the aging process. Thus, the aim of this study was to analyze the effect of different RI between sets of weight exercises on GH concentrations. Eighteen trained older women (65.8 ± 4.4 years; 70.2 ± 11.8 kg; 158.2 ± 5.1 cm were submitted to two experimental exercise sessions in the leg press (separated by intervals between 48 and 72 hours. Both sessions consisted of three sets all performed with absolute loads of 15 maximal repetitions. Participants were instructed to perform maximum repetitions possible in each set until volitional muscle fatigue. In each experimental session, one of the different RI between sets was used: one minute (RI-1 or three minutes (RI-3. A randomized cross-over balanced design was used to determine the order of experimental sessions. Blood samples were collected to determine GH concentrations immediately before and after leg press exercise. Only the session performed with RI-1 showed significant elevations (50.7%; P 0.05. The results suggest that the use of different RI between sets does not influence the GH concentrations in trained older women.

  18. Session 1 theme: Various forms of design basis knowledge and effects of its loss on Safety. Views from EDF

    International Nuclear Information System (INIS)

    Servière, Georges

    2013-01-01

    Design basis knowledge - What happens or may happen and corresponding required knowledge: • Unexpected events or failures of equipment; • Spare part issues (no longer availaible,…); • Change in applicable regulations / requirements; • Change of operating conditions; • Change of plant performances; • Evolution of external environment and conditions; • Events and accidents on other plants, worldwide; • New knowledge availaible; • Periodic safety reviews and upgrades; • Extension of plant operation life; • Decommissioning and dismantling; • Some of those you may choose not to do, but most of them have to be faced and need appropriate knowledge

  19. Motivational intensity modulates the effects of positive emotions on set shifting after controlling physiological arousal.

    Science.gov (United States)

    Zhou, Ya; Siu, Angela F Y

    2015-12-01

    Recent research on the construct of emotion suggests the integration of a motivational dimension into the traditional two-dimension (subjective valence and physiological arousal) model. The motivational intensity of an emotional state should be taken into account while investigating the emotion-cognition relationship. This study examined how positive emotional states varying in motivational intensity influenced set shifting, after controlling the potential confounding impacts of physiological arousal. In Experiment 1, 155 volunteers performed a set-shifting task after being randomly assigned to five states: high- vs. low-motivating positive affect (interest vs. serenity), high- vs. low-motivating negative affect (disgust vs. anxiety), and neutral state. Eighty-five volunteers participated in Experiment 2, which further examined the effects of higher vs. lower degree of interest. Both experiments measured and compared participants' physiological arousal (blood pressure and pulse rate) under the normal and experimental conditions as the covariate. Results showed no difference in switching performance between the neutral and serenity groups. As compared with the neutral state, the high-motivating positive affect significantly increased set-switching reaction time costs, but reduced error rate costs; the higher the motivational intensity, the greater the time-costs impairment. This indicates a role of the high-motivating positive affect in regulating the balance between the flexible and stable cognitive control. Motivational intensity also modulated the effects of negative emotional states, i.e., disgust caused a larger increase in time costs than anxiety. Further exploration into neurobiological mechanisms that may mediate the emotional effects on set shifting is warranted. © 2015 Scandinavian Psychological Associations and John Wiley & Sons Ltd.

  20. Two-Year Therapeutic Effectiveness of Varenicline for Smoking Cessation in a Real World Setting.

    Science.gov (United States)

    Pascual, Francisco Pastor; Fontoba Ferrándiz, Julio; Gil Sanchez, María Carmen; Ponce Lorenzo, Francisco; Botella Estrella, Carlos

    2016-01-28

    Varenicline is an effective smoking cessation therapy in clinical trials. However, its effectiveness might vary in a real world setting and its long term effectiveness (2-year) has not been reported yet. The objective was ascertaining the effectiveness of varenicline in the treatment of tobacco consumption in Primary Care settings. Observational, multicenter, retrospective study using medical records of smokers followed for 24 months. Sociodemographic characteristics, comorbidity, type of treatment (varenicline with or without group therapy), and smoking characteristics (Fageström and Richmond tests, starting age, number of cigarettes, cessation attempts, and initial CO-oximeter measurements) were evaluated. 773 smokers treated with varenicline (72.4%) or varenicline combined with group therapy (27.6%) were included. Mean age was 43.6 years [51.7% male (n = 400)]. Continuous abstinence rate at 24 months was 44.4%, with no significant gender or age differences. Median cessation time was 398 days (95%CI: 376-421). A clear association was detected between the probability of remaining abstinent at 24 months and participation in group therapy (OR: 1.877, 95%CI: 1.362-2.589), as well as treatment adherence (compliance >80%) (OR: 6.556, 95%CI: 5.870-7.242), but not with co-financing of treatment (observed in 77% of patients). For every day that varenicline was taken, abstinence increased by an average of 6.6 days. This retrospective cohort study suggests that 2-year effectiveness of varenicline might be substantial in a real world setting. The abstinence rate was higher for those who also receive group therapy.

  1. Is cost-effectiveness analysis preferred to severity of disease as the main guiding principle in priority setting in resource poor settings? The case of Uganda

    Directory of Open Access Journals (Sweden)

    Norheim Ole

    2004-01-01

    Full Text Available Abstract Introduction Several studies carried out to establish the relative preference of cost-effectiveness of interventions and severity of disease as criteria for priority setting in health have shown a strong preference for severity of disease. These preferences may differ in contexts of resource scarcity, as in developing countries, yet information is limited on such preferences in this context. Objective This study was carried out to identify the key players in priority setting in health and explore their relative preference regarding cost-effectiveness of interventions and severity of disease as criteria for setting priorities in Uganda. Design 610 self-administered questionnaires were sent to respondents at national, district, health sub-district and facility levels. Respondents included mainly health workers. We used three different simulations, assuming same patient characteristics and same treatment outcome but with varying either severity of disease or cost-effectiveness of treatment, to explore respondents' preferences regarding cost-effectiveness and severity. Results Actual main actors were identified to be health workers, development partners or donors and politicians. This was different from what respondents perceived as ideal. Above 90% of the respondents recognised the importance of both severity of disease and cost-effectiveness of intervention. In the three scenarios where they were made to choose between the two, a majority of the survey respondents assigned highest weight to treating the most severely ill patient with a less cost-effective intervention compared to the one with a more cost-effective intervention for a less severely ill patient. However, international development partners in in-depth interviews preferred the consideration of cost-effectiveness of intervention. Conclusions In a survey among health workers and other actors in priority setting in Uganda, we found that donors are considered to have more say than

  2. The effectiveness of flipped classroom learning model in secondary physics classroom setting

    Science.gov (United States)

    Prasetyo, B. D.; Suprapto, N.; Pudyastomo, R. N.

    2018-03-01

    The research aimed to describe the effectiveness of flipped classroom learning model on secondary physics classroom setting during Fall semester of 2017. The research object was Secondary 3 Physics group of Singapore School Kelapa Gading. This research was initiated by giving a pre-test, followed by treatment setting of the flipped classroom learning model. By the end of the learning process, the pupils were given a post-test and questionnaire to figure out pupils' response to the flipped classroom learning model. Based on the data analysis, 89% of pupils had passed the minimum criteria of standardization. The increment level in the students' mark was analysed by normalized n-gain formula, obtaining a normalized n-gain score of 0.4 which fulfil medium category range. Obtains from the questionnaire distributed to the students that 93% of students become more motivated to study physics and 89% of students were very happy to carry on hands-on activity based on the flipped classroom learning model. Those three aspects were used to generate a conclusion that applying flipped classroom learning model in Secondary Physics Classroom setting is effectively applicable.

  3. Cytotoxicity and Antimicrobial Effects of a New Fast-Set MTA

    Directory of Open Access Journals (Sweden)

    Michelle Shin

    2017-01-01

    Full Text Available Purpose. To compare the biocompatibility and antimicrobial effectiveness of the new Fast-Set MTA (FS-MTA with ProRoot MTA (RS-MTA. Methods. The agar overlay method with neutral red dye was used. L929 mouse fibroblast cells were cultured. The liquid and oil extracts and solid test material were placed on the agar overlay, four samples for each material. Phenol was used as the positive control and cottonseed oil and MEM extracts were used as negative controls. Cytotoxicity was examined by measuring the zones of decolorization and evaluating cell lysis under an inverted microscope using the established criteria after 24 and 48 hours. The antimicrobial test was performed using the Kirby-Bauer disk-diffusion method against S. mutans, E. faecalis, F. nucleatum, P. gingivalis, and P. intermedia. The size of the zone of inhibition was measured in millimeters. Results. There was no zone of decolorization seen under or around the test materials for FS-MTA and RS-MTA at 24 and 48 hours. The antimicrobial test demonstrated no inhibitory effect of FS-MTA or RS-MTA on any bacterial species after 24 and 48 hours. Conclusions. There was no cytotoxicity or bacterial inhibition observed by the new Fast-Set MTA when compared to the ProRoot MTA after setting.

  4. Weight isn't selling: The insidious effects of weight stigmatization in retail settings.

    Science.gov (United States)

    Ruggs, Enrica N; Hebl, Michelle R; Williams, Amber

    2015-09-01

    In recent years, the literature on the stigma of obesity has grown but there still remains a paucity of research examining specific issues associated with its impact in the workplace. In the current study, we examine 3 such issues related to the influence of weight-based stigmatization in retail settings. First, we highlight research on the impact of obesity in men often is minimized or altogether excluded, and we examine whether weight-based stigmatization influences men in authentic retail settings (Study 1). Across retail contexts, Study 1 reveals that heavy (vs. nonheavy) men do experience significantly more interpersonal (subtle) discrimination. Second, we examine the "why" of weight-based stigmatization and find that weight-related negative stereotypes compound to produce indirect but strong effects of stigmatization in retail settings (Study 2). Third and finally, we examine whether weight-based stigmatization against men and women in retail also influences ratings of associated products and the organizations for which heavy individuals work (also Study 2). Results from Study 2 show that stereotypes work similarly for men and women and that a stigma-by-association effect occurs in which evaluators rate products and organizations associated with heavy (vs. nonheavy) retail personnel more negatively. Finally, we discuss the importance of these findings in gaining a more holistic look at the influence of weight stigmatization in the workplace. (c) 2015 APA, all rights reserved).

  5. Influence of basis-set size on the X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B Σ 1 /2 +2 potential-energy curves, A Π 3 /2 2 vibrational energies, and D1 and D2 line shapes of Rb+He

    Science.gov (United States)

    Blank, L. Aaron; Sharma, Amit R.; Weeks, David E.

    2018-03-01

    The X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves for Rb+He are computed at the spin-orbit multireference configuration interaction level of theory using a hierarchy of Gaussian basis sets at the double-zeta (DZ), triple-zeta (TZ), and quadruple-zeta (QZ) levels of valence quality. Counterpoise and Davidson-Silver corrections are employed to remove basis-set superposition error and ameliorate size-consistency error. An extrapolation is performed to obtain a final set of potential-energy curves in the complete basis-set (CBS) limit. This yields four sets of systematically improved X Σ 1 /2 +2 , A Π 1 /2 2 , A Π 3 /2 2 , and B2Σ1/2 + potential-energy curves that are used to compute the A Π 3 /2 2 bound vibrational energies, the position of the D2 blue satellite peak, and the D1 and D2 pressure broadening and shifting coefficients, at the DZ, TZ, QZ, and CBS levels. Results are compared with previous calculations and experimental observation.

  6. Multi-scale random sets: from morphology to effective properties and to fracture statistics

    Energy Technology Data Exchange (ETDEWEB)

    Jeulin, Dominique, E-mail: dominique.jeulin@mines-paristech.fr [Centre de Morphologie Mathematique, Mathematiques et Systemes, Mines ParisTech 35 rue Saint-Honore, F77300 Fontainebleau (France)

    2011-09-15

    Complex microstructures in materials often involve multi-scale heterogeneous textures, modelled by random sets derived from Mathematical Morphology. Starting from 2D or 3D images, a complete morphological characterization by image analysis is performed, and used for the identification of a model of random structure. From morphological models, simulations of realistic microstructures are introduced in a numerical solver to compute appropriate fields (electric, elastic stress or strain, ...) and to estimate the effective properties by numerical homogenization, accounting for scale dependent statistical fluctuations of the fields. Our approach is illustrated by various examples of multi-scale models: Boolean random sets based on Cox point processes and various random grains (spheres, cylinders), showing a very low percolation threshold, and therefore a high conductivity or high elastic moduli for a low volume fraction of a second phase. Multiscale Cox point processes are also a source of instructive models of fracture statistics, such as multiscale weakest link models.

  7. Effectiveness of Group Cognitive Behavioral Therapy for Insomnia (CBT-I) in a Primary Care Setting.

    Science.gov (United States)

    Davidson, Judith R; Dawson, Samantha; Krsmanovic, Adrijana

    2017-05-02

    Primary care is where many patients with insomnia first ask for professional help. Cognitive-behavioral therapy for insomnia (CBT-I) is the recommended treatment for chronic insomnia. Although CBT-I's efficacy is well established, its effectiveness in real-life primary care has seldom been investigated. We examined the effectiveness of CBT-I as routinely delivered in a Canadian primary care setting. The patients were 70 women and 11 men (mean age = 57.0 years, SD = 12.3); 83% had medical comorbidity. For the first 81 patients who took the six-session group program we compared initial and postprogram sleep diaries, sleep medication use, Insomnia Severity Index (ISI), the Hospital Anxiety and Depression Scale (HADS), and visits to the family physician. Sleep onset latency, wake after sleep onset, total sleep time, sleep efficiency, and ISI scores improved significantly (p 7). Wait-list data from 42 patients showed minimal sleep and mood improvements with the passage of time. Number of visits to the family physician six months postprogram decreased, although not significantly (p = .108). The CBT-I program was associated with improvement on all sleep and mood measures. Effect sizes were similar to, or larger than, those found in randomized controlled trials, demonstrating the real-world effectiveness of CBT-I in an interdisciplinary primary care setting.

  8. Factors Contributing to Research Team Effectiveness: Testing a Model of Team Effectiveness in an Academic Setting

    Science.gov (United States)

    Omar, Zoharah; Ahmad, Aminah

    2014-01-01

    Following the classic systems model of inputs, processes, and outputs, this study examined the influence of three input factors, team climate, work overload, and team leadership, on research project team effectiveness as measured by publication productivity, team member satisfaction, and job frustration. This study also examined the mediating…

  9. Correlation of mechanical property changes in neutron-irradiated pressure vessel steels on the basis of spectral effects

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1991-01-01

    Comparisons are made of tensile data on specimens of A212B and A302B pressure vessel steels irradiated at low temperatures (40-90degC) and to low doses (<0.1 dpa) with 14 MeV D-T fusion neutrons in the Rotating Target Neutron Source (RTNS-II), with fission reactor neutrons in the Omega West Reactor (OWR) and the Oak Ridge Research Reactor (ORR), and with the highly thermal spectrum at the pressure vessel surveillance positions of the High Flux Isotope Reactor (HFIR). For each neutron spectrum, damage cross sections are determined for several defect production functions derived from atomistic computer simulations of collision cascades. Displacements per atom (dpa) and the numbers of freely migrating defects are tested as damage correlation parameters for the tensile data. The data from RTNS-II, OWR and ORR correlate fairly well when compared on the basis of dpa, but the data from HFIR show only about one sixth as many dpa are needed to produce the same radiation-induced yield stress changes as in the other neutron spectra. In the HFIR surveillance position a significant fraction of the displacements is produced by recoils resulting from thermal neutron captures. Having energies of about 400 eV, these recoils are much more efficient per unit energy at producing freely migrating defects than the high energy recoils responsible for most of the displacements in the other neutron spectra considered. A significantly better correlation of data from HFIR with those from the other spectra is achieved when the property changes are compared on the basis of the production of freely migrating self-interstitial defects. (orig./MM)

  10. The effects of aging on the neural basis of implicit associative learning in a probabilistic triplets learning task.

    Science.gov (United States)

    Simon, Jessica R; Vaidya, Chandan J; Howard, James H; Howard, Darlene V

    2012-02-01

    Few studies have investigated how aging influences the neural basis of implicit associative learning, and available evidence is inconclusive. One emerging behavioral pattern is that age differences increase with practice, perhaps reflecting the involvement of different brain regions with training. Many studies report hippocampal involvement early on with learning becoming increasingly dependent on the caudate with practice. We tested the hypothesis that the contribution of these regions to learning changes with age because of differential age-related declines in the striatum and hippocampi. We assessed age-related differences in brain activation during implicit associative learning using the Triplets Learning Task. Over three event-related fMRI runs, 11 younger and 12 healthy older adults responded to only the third (target) stimulus in sequences of three stimuli ("triplets") by corresponding key press. Unbeknown to participants, the first stimulus' location predicted one target location for 80% of trials and another target location for 20% of trials. Both age groups learned associative regularities but differences in favor of the younger adults emerged with practice. The neural basis of learning (response to predictability) was examined by identifying regions that showed a greater response to triplets that occurred more frequently. Both age groups recruited the hippocampus early, but with training, the younger adults recruited their caudate whereas the older adults continued to rely on their hippocampus. This pattern enables older adults to maintain near-young levels of performance early in training, but not later, and adds to evidence that implicit associative learning is supported by different brain networks in younger and older adults.

  11. A Review of the Theoretical Basis, Effects, and Cost Effectiveness of Online Smoking Cessation Interventions in the Netherlands: A Mixed-Methods Approach.

    Science.gov (United States)

    Cheung, Kei Long; Wijnen, Ben; de Vries, Hein

    2017-06-23

    Tobacco smoking is a worldwide public health problem. In 2015, 26.3% of the Dutch population aged 18 years and older smoked, 74.4% of them daily. More and more people have access to the Internet worldwide; approximately 94% of the Dutch population have online access. Internet-based smoking cessation interventions (online cessation interventions) provide an opportunity to tackle the scourge of tobacco. The goal of this paper was to provide an overview of online cessation interventions in the Netherlands, while exploring their effectivity, cost effectiveness, and theoretical basis. A mixed-methods approach was used to identify Dutch online cessation interventions, using (1) a scientific literature search, (2) a grey literature search, and (3) expert input. For the scientific literature, the Cochrane review was used and updated by two independent researchers (n=651 identified studies), screening titles, abstracts, and then full-text studies between 2013 and 2016 (CENTRAL, MEDLINE, and EMBASE). For the grey literature, the researchers conducted a Google search (n=100 websites), screening for titles and first pages. Including expert input, this resulted in six interventions identified in the scientific literature and 39 interventions via the grey literature. Extracted data included effectiveness, cost effectiveness, theoretical factors, and behavior change techniques used. Overall, many interventions (45 identified) were offered. Of the 45 that we identified, only six that were included in trials provided data on effectiveness. Four of these were shown to be effective and cost effective. In the scientific literature, 83% (5/6) of these interventions included changing attitudes, providing social support, increasing self-efficacy, motivating smokers to make concrete action plans to prepare their attempts to quit and to cope with challenges, supporting identity change and advising on changing routines, coping, and medication use. In all, 50% (3/6) of the interventions

  12. Cost-Effectiveness Analysis of an Automated Medication System Implemented in a Danish Hospital Setting

    DEFF Research Database (Denmark)

    Risoer, Bettina Wulff; Lisby, Marianne; Soerensen, Jan

    2017-01-01

    outcome measure was the number of errors in the medication administration process observed prospectively before and after implementation. To determine the difference in proportion of errors after implementation of the AMS, logistic regression was applied with the presence of error(s) as the dependent......Objectives To evaluate the cost-effectiveness of an automated medication system (AMS) implemented in a Danish hospital setting. Methods An economic evaluation was performed alongside a controlled before-and-after effectiveness study with one control ward and one intervention ward. The primary...... of avoided administration errors was related to the incremental costs to obtain the cost-effectiveness ratio expressed as the cost per avoided administration error. Results The AMS resulted in a statistically significant reduction in the proportion of errors in the intervention ward compared with the control...

  13. The effect of different weather data sets and their resolution on climate-based daylight modelling

    DEFF Research Database (Denmark)

    Iversen, A; Svendsen, Svend; Nielsen, Toke Rammer

    2013-01-01

    Climate-based daylight modelling is based on the available weather data, which means that the weather data used as input to the daylight simulations are of great importance. In this paper, the effect on the outcome of the daylight simulations of using one weather data file rather than another...... for the same location was investigated. Furthermore, the effect of using weather data sets with an hourly resolution compared to a one-minute resolution was investigated. The results showed that the lighting dependencies varied by up to 2% depending on the chosen weather data file and indoor illuminance...... threshold. The energy consumption for artificial lighting was underestimated when simulating with time steps of hourly means compared to one-minute resolution. The findings from this comparison show that the dynamic, short-term effects of the weather have a surprisingly small impact on the simulation...

  14. Effectiveness of three contingency-nonspecific stimuli on bathroom graffiti prevention in a college setting.

    Science.gov (United States)

    Lee, Jin; Chung, Kyong-Mee

    2013-04-01

    An A-B-A design was adopted to test the effectiveness of different types of contingency-nonspecific stimuli in the prevention of bathroom graffiti in a college setting. The three stimuli examined in this study have been frequently used to prevent bathroom graffiti in South Korea and they were: (a) "Please do not write, draw, or mark on these walls;" (b) a mirror; and (c) "Courteous people keep public places clean." No graffiti was observed when the first and second stimuli were presented. In contrast, a notable increase in bathroom graffiti was observed when the third sign was presented. The results suggest that a contingency non-specific stimuli posting intervention can be effective in the prevention of bathroom graffiti only when appropriate stimuli are used. The practical implications, including cost-effectiveness, are discussed.

  15. The Effect of Distributed Practice in Undergraduate Statistics Homework Sets: A Randomized Trial

    Science.gov (United States)

    Crissinger, Bryan R.

    2015-01-01

    Most homework sets in statistics courses are constructed so that students concentrate or "mass" their practice on a certain topic in one problem set. Distributed practice homework sets include review problems in each set so that practice on a topic is distributed across problem sets. There is a body of research that points to the…

  16. Improving extreme-scale problem solving: assessing electronic brainstorming effectiveness in an industrial setting.

    Science.gov (United States)

    Dornburg, Courtney C; Stevens, Susan M; Hendrickson, Stacey M L; Davidson, George S

    2009-08-01

    An experiment was conducted to compare the effectiveness of individual versus group electronic brainstorming to address difficult, real-world challenges. Although industrial reliance on electronic communications has become ubiquitous, empirical and theoretical understanding of the bounds of its effectiveness have been limited. Previous research using short-term laboratory experiments have engaged small groups of students in answering questions irrelevant to an industrial setting. The present experiment extends current findings beyond the laboratory to larger groups of real-world employees addressing organization-relevant challenges during the course of 4 days. Employees and contractors at a national laboratory participated, either in a group setting or individually, in an electronic brainstorm to pose solutions to a real-world problem. The data demonstrate that (for this design) individuals perform at least as well as groups in producing quantity of electronic ideas, regardless of brainstorming duration. However, when judged with respect to quality along three dimensions (originality, feasibility, and effectiveness), the individuals significantly (p industrial reliance on electronic problem-solving groups should be tempered, and large nominal groups may be more appropriate corporate problem-solving vehicles.

  17. Assessing the effectiveness of text messages as appointment reminders in a pediatric dental setting.

    Science.gov (United States)

    Nelson, Travis M; Berg, Joel H; Bell, Janice F; Leggott, Penelope J; Seminario, Ana Lucia

    2011-04-01

    Text messaging is a dominant form of communication in our society. However, little research has been conducted to evaluate its effectiveness as an appointment reminder in the dental setting. From the patient pool of the pediatric dentistry clinic at the University of Washington, Seattle, the authors invited 543 caregiver/child dyads who met eligibility criteria to participate in this study. They randomly assigned 318 pairs (59 percent response) to receive a short message service (SMS) text message (n = 158) or a voice message (control group) (n = 160) as an appointment reminder. Younger caregivers were more likely to be nonattendees than were older caregivers (P = .02). Participants in the voice message group had a lower no-show attendance (8.2 percent) than did those in the text message group (17.7 percent) (P = .01). The unadjusted odds ratio (OR) for type of appointment reminder and no-show attendance was 2.41 (P = .01). After the authors adjusted for the caregiver's age, the OR was 2.12 (P = .04). SMS text messages were not as effective as voice reminders for patients in a dental school pediatric dentistry clinic. Future studies should investigate the effect of text message reminders when limited to patients who self-select that type of reminder and in patient populations outside the university setting. Text messaging may not be the preferable method of reminding patients about appointments in a university pediatric dental clinic.

  18. Study of different effectives on wind energy by using mathematical methods and rough set theory

    International Nuclear Information System (INIS)

    Marrouf, A.A.

    2009-01-01

    all open and closed sets are coincide. Because of this special topological structure, the generalization of variable precision rough sets was not directed to use the topological concepts.As a result of the huge development and the big progress in industry there are more requests on the energy sources that reduces air pollution.So the world looked for alternative, renewable, clean and less expensive energy sources. Historically, Ancient Egyptians used wind energy in windmills for grinding grain and pumping water from the river Nile for irrigation. However, the utilization of windmills declined abruptly due to the use of oil fueled diesel engines water pumping. Yet wind turbine technology has now been developed so the cost of electricity generated by wind has decreased substantially due to the reduction in the installed cost of turbines and the greater efficiency in energy production per installed kilowatt, due to improvements in reliability and availability of the plant. The wind energy as well as the solar energy is the best of all kinds of energy that avoid production of air pollution. Brief Contents of the Thesis:The material that comprehended in this Thesis is organized in three subsequent chapters and a list of (82) references in the following way;Chapter 1: In this chapter, we introduce a brief survey about the wind energy concepts and the topological methods for data analysis. In Section 1-1, we present a general introduction. We recall some of wind energy and energy from moving air in Section 1-2. The purpose of In Section 1-3 is to introduce the atmospheric fundamentals. Section 1-4 shows the concepts of modern topological methods for data analysis. Chapter 2: In this chapter we shall survey about concepts of rough set as model to analyze the data and its modification which introduced by the Egyptian topological group. More over, we shall deal with obtaining the effect of air density variation on the wind energy.In section 2-1, we introduce a general

  19. Indirect Effects of Field Management on Pollination Service and Seed Set in Hybrid Onion Seed Production.

    Science.gov (United States)

    Gillespie, Sandra; Long, Rachael; Williams, Neal

    2015-12-01

    Pollination in crops, as in native ecosystems, is a stepwise process that can be disrupted at any stage. Healthy pollinator populations are critical for adequate visitation, but pollination still might fail if crop management interferes with the attraction and retention of pollinators. Farmers must balance the direct benefits of applying insecticide and managing irrigation rates against their potential to indirectly interfere with the pollination process. We investigated these issues in hybrid onion seed production, where previous research has shown that high insecticide use reduces pollinator attraction. We conducted field surveys of soil moisture, nectar production, pollinator visitation, pollen-stigma interactions, and seed set at multiple commercial fields across 2 yr. We then examined how management actions, such as irrigation rate (approximated by soil moisture), or insecticide use could affect the pollination process. Onions produced maximum nectar at intermediate soil moisture, and high nectar production attracted more pollinators. Insecticide use weakly affected pollinator visitation, but when applied close to bloom reduced pollen germination and pollen tube growth. Ultimately, neither soil moisture nor insecticide use directly affected seed set, but the high correlation between pollinator visitation and seed set suggests that crop management will ultimately affect yields via indirect effects on the pollination process. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  20. Effect of sublethal preculturing on the survival of probiotics and metabolite formation in set-yoghurt.

    Science.gov (United States)

    Settachaimongkon, Sarn; van Valenberg, Hein J F; Winata, Vera; Wang, Xiaoxi; Nout, M J Robert; van Hooijdonk, Toon C M; Zwietering, Marcel H; Smid, Eddy J

    2015-08-01

    The objective of this study was to investigate the effect of preculturing of Lactobacillus rhamnosus GG and Bifidobacterium animalis subsp. lactis BB12 under sublethal stress conditions on their survival and metabolite formation in set-yoghurt. Prior to co-cultivation with yoghurt starters in milk, the two probiotic strains were precultured under sublethal stress conditions (combinations of elevated NaCl and low pH) in a batch fermentor. The activity of sublethally precultured probiotics was evaluated during fermentation and refrigerated storage by monitoring bacterial population dynamics, milk acidification and changes in volatile and non-volatile metabolite profiles of set-yoghurt. The results demonstrated adaptive stress responses of the two probiotic strains resulting in their viability improvement without adverse influence on milk acidification. A complementary metabolomic approach using SPME-GC/MS and (1)H-NMR resulted in the identification of 35 volatiles and 43 non-volatile polar metabolites, respectively. Principal component analysis revealed substantial impact of the activity of sublethally precultured probiotics on metabolite formation demonstrated by distinctive volatile and non-volatile metabolite profiles of set-yoghurt. Changes in relative abundance of various aroma compounds suggest that incorporation of stress-adapted probiotics considerably influences the organoleptic quality of product. This study provides new information on the application of stress-adapted probiotics in an actual food-carrier environment. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Effect of Crusher Type and Crusher Discharge Setting On Washability Characteristics of Coal

    Science.gov (United States)

    Ahila, P.; Battacharya, S.

    2018-02-01

    Natural resources have been serving the life of many civilizations, among these coals are of prime importance. Coal is the most important and abundant fossil fuel in India. It accounts for 55% of the country’s energy need. Coal will continue as the mainstay fuel for power generation. Previous researches has been made about the coal feed size and coal type had great influence on the crushing performance of the same jaw crusher and amount of fines generated from a particular coal depends not only upon coal friability but also on crusher type. Therefore, it necessitates crushing and grinding the coal for downstream process. In this paper the effect of crusher type and crusher discharge setting on washability characteristics of same crushed non-coking coal has been studied. Thus four different crushers were investigated at variable parameters like discharge settings, different capacities and feed openings. The experimental work conducted for all crushers with same feed size and HGI (Hardgrove Grindability Index). Based on the investigation the results indicate that the four crushers which has been involved for the experimental work shows that the variation in not only the product size distribution and also reduction ratio. Maximum breakage has been occurred at coarsest size fraction of irrespective of crusher type and discharge setting.

  2. [Effective communication strategies to frame the trainer-trainee dialogue in the clinical setting].

    Science.gov (United States)

    Gachoud, D; Félix, S; Monti, M

    2015-11-04

    Communication between trainer and trainee plays a central role in teaching and learning in the clinical environment. There are various strategies to frame the dialogue between trainee and trainer. These strategies allow trainers to be more effective in their supervision, which is important in our busy clinical environment. Communication strategies are well adapted to both in- and out-patient settings, to both under- and postgraduate contexts. This article presents three strategies that we think are particularly useful. They are meant to give feedback, to ask questions and to present a case.

  3. Methodological challenges in measuring vaccine effectiveness using population cohorts in low resource settings.

    Science.gov (United States)

    King, C; Beard, J; Crampin, A C; Costello, A; Mwansambo, C; Cunliffe, N A; Heyderman, R S; French, N; Bar-Zeev, N

    2015-09-11

    Post-licensure real world evaluation of vaccine implementation is important for establishing evidence of vaccine effectiveness (VE) and programme impact, including indirect effects. Large cohort studies offer an important epidemiological approach for evaluating VE, but have inherent methodological challenges. Since March 2012, we have conducted an open prospective cohort study in two sites in rural Malawi to evaluate the post-introduction effectiveness of 13-valent pneumococcal conjugate vaccine (PCV13) against all-cause post-neonatal infant mortality and monovalent rotavirus vaccine (RV1) against diarrhoea-related post-neonatal infant mortality. Our study sites cover a population of 500,000, with a baseline post-neonatal infant mortality of 25 per 1000 live births. We conducted a methodological review of cohort studies for vaccine effectiveness in a developing country setting, applied to our study context. Based on published literature, we outline key considerations when defining the denominator (study population), exposure (vaccination status) and outcome ascertainment (mortality and cause of death) of such studies. We assess various definitions in these three domains, in terms of their impact on power, effect size and potential biases and their direction, using our cohort study for illustration. Based on this iterative process, we discuss the pros and cons of our final per-protocol analysis plan. Since no single set of definitions or analytical approach accounts for all possible biases, we propose sensitivity analyses to interrogate our assumptions and methodological decisions. In the poorest regions of the world where routine vital birth and death surveillance are frequently unavailable and the burden of disease and death is greatest We conclude that provided the balance between definitions and their overall assumed impact on estimated VE are acknowledged, such large scale real-world cohort studies can provide crucial information to policymakers by providing

  4. Molecular basis for the mutagenic and lethal effects of ultraviolet irradiation. Progress report, December 1, 1977--November 30, 1978

    International Nuclear Information System (INIS)

    Grossman, L.

    1978-07-01

    Our earlier work on the chemical basis of mutagenesis led to certain chemical generalities necessary to explain how certain mutagens such as UV light and hydroxylamine functioned in information transfer systems (replicative, transcriptive and translational). When such modifications were applied to biologically active DNA in a controlled manner biological expression was non-stoichiometric because much of the damage was removed from the DNA by repair systems. Our efforts were then directed to these systems which led to: the isolation, purification and characterization of endonucleases responsible for the first and controlling step in DNA repair referred to as incision in both M. luteus and E. coli; the isolation, purification and characterization of exonucleases responsible for the removal or excision of damaged nucleotides in M. luteus and human placental trophoblasts; the repair of UV damaged biologically active transforming and transfecting DNAs by purified endonucleases, exonucleases, DNA polymerase I and polynucleotide ligase from M. luteus and E. coli; the characterization of the dual gene control for incision phenomenon in M. luteus and E. coli; and isolation, purification and characterization of repair enzymes from human placenta

  5. Effects of irradiation and design basis accident conditions on thermal properties of epoxy coating system for nuclear power plant

    International Nuclear Information System (INIS)

    Park, Soo-Jin; Seo, Min-Kang; Lee, Jae-Rock

    2004-01-01

    In this work, the thermal properties of epoxy coating system on carbon steel liner in an atomic reactor container have been investigated in terms of irradiation and design basis accident (DBA) conditions. Two epoxy coating systems were irradiated by different dose rates, i.e. 1x10 6 and 5x10 5 rad/h in a total dosage of 2x10 8 rad/h. And, DBA tests were applied to them based on the specification. The glass transition temperature (T g ) and thermal stability of the epoxy coating systems after tests were measured by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), respectively. As a result, the irradiation led to the fracture of internal structure in cured epoxy systems, resulting in significantly decreasing the thermal stability, as well as, the T g . Also, the higher dose rate made a relaxation of epoxy resins to reduce the hardening of the network system. Whereas, the DBA test made an important role in the thermal stability in the epoxy coating systems, resulting in post-curing of the uncured epoxy resins. Consequently, it could be found that the thermal properties of the epoxy coating system were greatly influenced on the irradiation and DBA tests, which were probably due to the modification of internal network structure of the epoxy resins

  6. Beyond main effects of gene-sets: harsh parenting moderates the association between a dopamine gene-set and child externalizing behavior.

    Science.gov (United States)

    Windhorst, Dafna A; Mileva-Seitz, Viara R; Rippe, Ralph C A; Tiemeier, Henning; Jaddoe, Vincent W V; Verhulst, Frank C; van IJzendoorn, Marinus H; Bakermans-Kranenburg, Marian J

    2016-08-01

    In a longitudinal cohort study, we investigated the interplay of harsh parenting and genetic variation across a set of functionally related dopamine genes, in association with children's externalizing behavior. This is one of the first studies to employ gene-based and gene-set approaches in tests of Gene by Environment (G × E) effects on complex behavior. This approach can offer an important alternative or complement to candidate gene and genome-wide environmental interaction (GWEI) studies in the search for genetic variation underlying individual differences in behavior. Genetic variants in 12 autosomal dopaminergic genes were available in an ethnically homogenous part of a population-based cohort. Harsh parenting was assessed with maternal (n = 1881) and paternal (n = 1710) reports at age 3. Externalizing behavior was assessed with the Child Behavior Checklist (CBCL) at age 5 (71 ± 3.7 months). We conducted gene-set analyses of the association between variation in dopaminergic genes and externalizing behavior, stratified for harsh parenting. The association was statistically significant or approached significance for children without harsh parenting experiences, but was absent in the group with harsh parenting. Similarly, significant associations between single genes and externalizing behavior were only found in the group without harsh parenting. Effect sizes in the groups with and without harsh parenting did not differ significantly. Gene-environment interaction tests were conducted for individual genetic variants, resulting in two significant interaction effects (rs1497023 and rs4922132) after correction for multiple testing. Our findings are suggestive of G × E interplay, with associations between dopamine genes and externalizing behavior present in children without harsh parenting, but not in children with harsh parenting experiences. Harsh parenting may overrule the role of genetic factors in externalizing behavior. Gene-based and gene-set

  7. Failure Mode and Effect Analysis using Soft Set Theory and COPRAS Method

    Directory of Open Access Journals (Sweden)

    Ze-Ling Wang

    2017-01-01

    Full Text Available Failure mode and effect analysis (FMEA is a risk management technique frequently applied to enhance the system performance and safety. In recent years, many researchers have shown an intense interest in improving FMEA due to inherent weaknesses associated with the classical risk priority number (RPN method. In this study, we develop a new risk ranking model for FMEA based on soft set theory and COPRAS method, which can deal with the limitations and enhance the performance of the conventional FMEA. First, trapezoidal fuzzy soft set is adopted to manage FMEA team membersr linguistic assessments on failure modes. Then, a modified COPRAS method is utilized for determining the ranking order of the failure modes recognized in FMEA. Especially, we treat the risk factors as interdependent and employ the Choquet integral to obtain the aggregate risk of failures in the new FMEA approach. Finally, a practical FMEA problem is analyzed via the proposed approach to demonstrate its applicability and effectiveness. The result shows that the FMEA model developed in this study outperforms the traditional RPN method and provides a more reasonable risk assessment of failure modes.

  8. The effect of inter-set rest intervals on resistance exercise-induced muscle hypertrophy.

    Science.gov (United States)

    Henselmans, Menno; Schoenfeld, Brad J

    2014-12-01

    Due to a scarcity of longitudinal trials directly measuring changes in muscle girth, previous recommendations for inter-set rest intervals in resistance training programs designed to stimulate muscular hypertrophy were primarily based on the post-exercise endocrinological response and other mechanisms theoretically related to muscle growth. New research regarding the effects of inter-set rest interval manipulation on resistance training-induced muscular hypertrophy is reviewed here to evaluate current practices and provide directions for future research. Of the studies measuring long-term muscle hypertrophy in groups employing different rest intervals, none have found superior muscle growth in the shorter compared with the longer rest interval group and one study has found the opposite. Rest intervals less than 1 minute can result in acute increases in serum growth hormone levels and these rest intervals also decrease the serum testosterone to cortisol ratio. Long-term adaptations may abate the post-exercise endocrinological response and the relationship between the transient change in hormonal production and chronic muscular hypertrophy is highly contentious and appears to be weak. The relationship between the rest interval-mediated effect on immune system response, muscle damage, metabolic stress, or energy production capacity and muscle hypertrophy is still ambiguous and largely theoretical. In conclusion, the literature does not support the hypothesis that training for muscle hypertrophy requires shorter rest intervals than training for strength development or that predetermined rest intervals are preferable to auto-regulated rest periods in this regard.

  9. Effects of animation on naming and identification across two graphic symbol sets representing verbs and prepositions.

    Science.gov (United States)

    Schlosser, Ralf W; Koul, Rajinder; Shane, Howard; Sorce, James; Brock, Kristofer; Harmon, Ashley; Moerlein, Dorothy; Hearn, Emilia

    2014-10-01

    The effects of animation on naming and identification of graphic symbols for verbs and prepositions were studied in 2 graphic symbol sets in preschoolers. Using a 2 × 2 × 2 × 3 completely randomized block design, preschoolers across three age groups were randomly assigned to combinations of symbol set (Autism Language Program [ALP] Animated Graphics or Picture Communication Symbols [PCS]), symbol format (animated or static), and word class (verbs or prepositions). Children were asked to name symbols and to identify a target symbol from an array given the spoken label. Animated symbols were more readily named than static symbols, although this was more pronounced for verbs than for prepositions. ALP symbols were named more accurately than PCS in particular with prepositions. Animation did not facilitate identification. ALP symbols for prepositions were identified better than PCS, but there was no difference for verbs. Finally, older children guessed and identified symbols more effectively than younger children. Animation improves the naming of graphic symbols for verbs. For prepositions, ALP symbols are named more accurately and are more readily identifiable than PCS. Naming and identifying symbols are learned skills that develop over time. Limitations and future research directions are discussed.

  10. Effect of active prenatal management on pregnancy outcome in sickle cell disease in an African setting.

    Science.gov (United States)

    Rahimy, M C; Gangbo, A; Adjou, R; Deguenon, C; Goussanou, S; Alihonou, E

    2000-09-01

    Sickle cell disease (SCD) is associated with an increased risk of medical complications during pregnancy. In sub-Saharan Africa, fetal and maternal mortality rates are particularly high. This study evaluated the effect of an active prenatal management program on pregnancy outcome in patients with SCD in an African setting. Pregnant women with SCD attending the National Teaching Hospital in Cotonou (The Republic of Benin, West Africa) were recruited before the 28th week of gestation. Management was based on providing information and education about SCD and improving nutritional status, malaria prevention, early detection of bacterial infections, and restricted use of blood transfusion. Maternal and fetal mortality rates and SCD-related morbidity were the principal variables assessed. One hundred and eight patients (42 SS and 66 SC) with 111 fetuses were included in the study. Thirteen fetal deaths (from 9 SS and 4 SC mothers) were recorded and 2 deaths of SC mothers. The maternal mortality rate of 1.8% was comparable with the overall maternal mortality rate for this maternity unit (1.2%). Few SCD-related events were recorded. Plasmodium falciparum malaria infection was the major cause of morbidity. Sixty-three patients (19 SS and 44 SC) successfully completed their pregnancy (58.3%) without requiring transfusion. Providing pregnant SCD patients with relevant medical care based on simple cost-effective approaches can have a positive impact on SCD-associated morbidity and mortality in an otherwise difficult setting in Africa. (Blood. 2000;96:1685-1689)

  11. Effectiveness of the essential oils lavender and ginger in promoting children's comfort in a perianesthesia setting.

    Science.gov (United States)

    Nord, DeeAnn; Belew, John

    2009-10-01

    This randomized, controlled, blinded study examined the effectiveness of an aromatherapy intervention on the reduction of children's distress in a perianesthesia setting. The sample included children with and without developmental disabilities (n = 94). Subjects in the intervention group received an aromatherapy intervention of lavender and ginger essential oils. The control group received a placebo intervention of jojoba oil. Distress was measured at two times: before induction and in the PACU, using the Faces, Legs, Arms, Cry and Consolability (FLACC) scale. The mean distress level was lower for the children in the essential oil group, but the effect was not statistically significant (P = .055). Parents' responses to survey questions about satisfaction with aromatherapy did not differ between groups, although open-ended comments indicated a more positive opinion of the benefits of the intervention in the aromatherapy group.

  12. Long-term memory color investigation: culture effect and experimental setting factors.

    Science.gov (United States)

    Zhu, Yuteng; Luo, Ming Ronnier; Fischer, Sebastian; Bodrogi, Peter; Khanh, Tran Quoc

    2017-10-01

    Memory colors generated continuous interest in the color community. Previous studies focused on reflecting color chips and color samples in real scenes or on monitors. The cognitive effect of culture was rarely considered. In this paper, we performed a comprehensive investigation of the long-term memory colors of 26 familiar objects using the asymmetric color matching method among Chinese and German observers on a display. Three experiments were conducted to evaluate the variations introduced by culture, context-based gray image, and initial matching color. Memory colors of important objects were collected and representative memory colors were quantified in terms of CIELAB L * , a * , and b * values. The intra- and inter-observer variations were analyzed by mean-color-difference-from-mean values and chromatic ellipses. The effects of different cultural groups and experimental settings were also shown.

  13. A methodology for assessing the effect of countermeasures against a nuclear accident using fuzzy set theory

    International Nuclear Information System (INIS)

    Han, M.H.; Hwang, W.T.; Kim, E.H.; Suh, K.S.; Choi, Y.G.

    2000-01-01

    A methodology for assessing the effectiveness of countermeasures against a nuclear accident has been designed by means of the concept of fuzzy set theory. In most of the existing countermeasure models in actions under radiological emergencies, the large variety of possible features is simplified by a number of rough assumptions. During this simplification procedure, a lot of information is lost which results in much uncertainty concerning the output of the countermeasure model. Furthermore, different assumptions should be used for different sites to consider the site specific conditions. In this study, the diversity of each variable related to protective action has been modelled by the linguistic variable. The effectiveness of sheltering and evacuation has been estimated using the proposed method. The potential advantage of the proposed method is in reducing the loss of information by incorporating the opinions of experts and by introducing the linguistic variables which represent the site specific conditions. (author)

  14. Friction degradation and set-up effects in hard clays offshore Congo and Angola

    International Nuclear Information System (INIS)

    Colliat, J.L.; Vergobbi, P.; Puech, A.

    1993-01-01

    Piles driven into stiff to hard clays encountered offshore Congo and Angola clearly show both clay-type effects which are (1) friction degradation, with very low driving resistances during continuous driving, and (2) set-up after driving interruptions. Both phenomena were studied by back-analysis of driving records, including results of pile driving monitoring. It allowed one to deduce the friction distribution along the piles during driving; show how the shaft friction at any depth reduces as the pile is driven further into the ground; and show that the shaft friction after driving delays can be close to the estimated static friction capacity of the piles. The SRD calculation method proposed by the authors takes the friction degradation effect into account, leading to improved pile drivability predictions. Four case histories are presented to illustrate the results obtained

  15. Toilet training children with autism and developmental delays: an effective program for school settings.

    Science.gov (United States)

    Cocchiola, Michael A; Martino, Gayle M; Dwyer, Lisa J; Demezzo, Kelly

    2012-01-01

    Current research literature on toilet training for children with autism or developmental delays focuses on smaller case studies, typically with concentrated clinical support. Limited research exists to support an effective school-based program to teach toileting skills implemented by public school staff. We describe an intervention program to toilet train 5 children with autism or developmental delays who demonstrated no prior success in the home or school setting. Intervention focused on (a) removal of diapers during school hours, (b) scheduled time intervals for bathroom visits, (c) a maximum of 3 min sitting on the toilet, (d) reinforcers delivered immediately contingent on urination in the toilet, and (e) gradually increased time intervals between bathroom visits as each participant met mastery during the preceding, shorter time interval. The program was effective across all 5 cases in a community-based elementary school. Paraprofessional staff implemented the program with minimal clinical oversight.

  16. Global 21 cm Signal Extraction from Foreground and Instrumental Effects. I. Pattern Recognition Framework for Separation Using Training Sets

    Science.gov (United States)

    Tauscher, Keith; Rapetti, David; Burns, Jack O.; Switzer, Eric

    2018-02-01

    The sky-averaged (global) highly redshifted 21 cm spectrum from neutral hydrogen is expected to appear in the VHF range of ∼20–200 MHz and its spectral shape and strength are determined by the heating properties of the first stars and black holes, by the nature and duration of reionization, and by the presence or absence of exotic physics. Measurements of the global signal would therefore provide us with a wealth of astrophysical and cosmological knowledge. However, the signal has not yet been detected because it must be seen through strong foregrounds weighted by a large beam, instrumental calibration errors, and ionospheric, ground, and radio-frequency-interference effects, which we collectively refer to as “systematics.” Here, we present a signal extraction method for global signal experiments which uses Singular Value Decomposition of “training sets” to produce systematics basis functions specifically suited to each observation. Instead of requiring precise absolute knowledge of the systematics, our method effectively requires precise knowledge of how the systematics can vary. After calculating eigenmodes for the signal and systematics, we perform a weighted least square fit of the corresponding coefficients and select the number of modes to include by minimizing an information criterion. We compare the performance of the signal extraction when minimizing various information criteria and find that minimizing the Deviance Information Criterion most consistently yields unbiased fits. The methods used here are built into our widely applicable, publicly available Python package, pylinex, which analytically calculates constraints on signals and systematics from given data, errors, and training sets.

  17. Perceived effects of setting attributes on visitor experiences in wilderness: Variation with situational context and visitor characteristics

    Science.gov (United States)

    David N. Cole; Troy E. Hall

    2009-01-01

    Understanding how setting attributes influence the nature of the visitor experience is crucial to effective recreation management. Highly influential attributes are useful indicators to monitor within a planning framework, such as Limits of Acceptable Change. This study sought to identify the setting attributes perceived to have the most profound effect on the ability...

  18. Statin related adverse effects and patient education: a study from resource limited settings.

    Science.gov (United States)

    Mulchandani, Rubina; Lyngdoh, Tanica; Chakraborty, Praloy; Kakkar, Ashish Kumar

    2017-11-27

    Statins are the most widely prescribed class of drugs for coronary artery disease (CAD) patients and yet literature on the prevalence of statin related adverse effects (AEs) and gaps in patient education is quite limited especially in resource-limited settings of developing world. The present study was conducted to determine the prevalence of myopathy (muscle ailments) and other statin associated adverse effects among CAD patients on statin therapy. The study also aimed to assess patient perceptions, attitudes and awareness concerning the use of statins. It was a cross-sectional study conducted among 300 adult CAD patients visiting the out-patient department of a tertiary care hospital in North India, who were receiving statins for their diagnosis. An interviewer administered questionnaire was used to collect data on statin use among patients and adverse effects experienced. Myopathy or muscle related ailments like muscle pain, cramps and muscle weakness were the most prevalent (32, 34 and 47%, respectively), followed by numbness, tingling and burning in the extremities (31%). Joint pain and cognitive impairments were seen in nearly 20% of the patients. The level of awareness among participants regarding the use of statins was sub-optimal. Lack of knowledge and under-reporting of adverse effects were major concerns. The study shows that a considerable proportion of statin users experience adverse effects and knowledge and awareness amongst patients is inadequate. Awareness programmes and counselling for patients, sensitisation of healthcare professionals and better screening systems for monitoring AEs can help improve the scenario.

  19. Effectiveness of reactive case detection for malaria elimination in three archetypical transmission settings: a modelling study.

    Science.gov (United States)

    Gerardin, Jaline; Bever, Caitlin A; Bridenbecker, Daniel; Hamainza, Busiku; Silumbe, Kafula; Miller, John M; Eisele, Thomas P; Eckhoff, Philip A; Wenger, Edward A

    2017-06-12

    reactive case detection or mass drug campaigns. Reactive case detection is recommended only for settings where transmission has recently been reduced rather than all low-transmission settings. This is demonstrated in a modelling framework with strong out-of-sample accuracy across a range of transmission settings while including methodologies for understanding the most resource-effective allocations of health workers. This approach generalizes to providing a platform for planning rational scale-up of health systems based on locally-optimized impact according to simplified stratification.

  20. Injury-reduction effectiveness of prescribing running shoes on the basis of foot arch height: summary of military investigations.

    Science.gov (United States)

    Knapik, Joseph J; Trone, Daniel W; Tchandja, Juste; Jones, Bruce H

    2014-10-01

    Secondary analysis of 3 randomized controlled trials. Objective Analysis of studies that examined whether prescribing running shoes on the basis of foot arch height influenced injury risk during military basic training. Prior to 2007, running magazines and running-shoe companies suggested that imprints of the bottom of the feet (plantar shape) could be used as an indication of foot arch height and that this could be used to select individually appropriate types of running shoes. Similar studies were conducted in US Army (2168 men, 951 women), Air Force (1955 men, 718 women), and Marine Corps (840 men, 571 women) basic training. After foot examinations, recruits were randomized to either an experimental or a control group. Recruits in the experimental group selected or were assigned motion-control, stability, or cushioned shoes to match their plantar shape, which represented a low, medium, or high foot arch, respectively. The control group received a stability shoe regardless of plantar shape. Injuries during basic training were assessed from outpatient medical records. Meta-analyses that pooled results of the 3 investigations showed little difference between the experimental and control groups in the injury rate (injuries per 1000 person-days) for either men (summary rate ratio = 0.97; 95% confidence interval [CI]: 0.88, 1.06) or women (summary rate ratio = 0.97; 95% CI: 0.85, 1.08). When injury rates for specific types of running shoes were compared, there were no differences. Selecting running shoes based on arch height had little influence on injury risk in military basic training. Prevention, level 1b.

  1. The molecular basis for the effectiveness, toxicity, and resistance to glucocorticoids : focus on the treatment of rheumatoid arthritis

    NARCIS (Netherlands)

    Buttgereit, F; Saag, KG; Cutolo, M; da Silva, JAP; Bijlsma, JWJ

    Glucocorticoids (GCs) have powerful and potent anti-inflammatory and immunomodulatory effects in rheumatoid arthritis ( RA) and many other diseases. These effects are mediated by up to four different mechanisms of action: cytosolic glucocorticoid receptor (cGCR)-mediated classical genomic and rapid

  2. The effect of sugar cane juice on setting times of various types of ...

    African Journals Online (AJOL)

    For the EAGLE cement brand, the initial setting and final setting times, remained constant between 0 and 3% SCJ content. The final setting times for the UNICEM, IBETO and EAGLE cement remained constant at between 0 and 5% SCJ content. Thereafter, the final setting time increased as the SCJ content increased.

  3. TreeBASIS Feature Descriptor and Its Hardware Implementation

    Directory of Open Access Journals (Sweden)

    Spencer Fowers

    2014-01-01

    Full Text Available This paper presents a novel feature descriptor called TreeBASIS that provides improvements in descriptor size, computation time, matching speed, and accuracy. This new descriptor uses a binary vocabulary tree that is computed using basis dictionary images and a test set of feature region images. To facilitate real-time implementation, a feature region image is binary quantized and the resulting quantized vector is passed into the BASIS vocabulary tree. A Hamming distance is then computed between the feature region image and the effectively descriptive basis dictionary image at a node to determine the branch taken and the path the feature region image takes is saved as a descriptor. The TreeBASIS feature descriptor is an excellent candidate for hardware implementation because of its reduced descriptor size and the fact that descriptors can be created and features matched without the use of floating point operations. The TreeBASIS descriptor is more computationally and space efficient than other descriptors such as BASIS, SIFT, and SURF. Moreover, it can be computed entirely in hardware without the support of a CPU for additional software-based computations. Experimental results and a hardware implementation show that the TreeBASIS descriptor compares well with other descriptors for frame-to-frame homography computation while requiring fewer hardware resources.

  4. Cryptococcal meningitis treatment strategies in resource-limited settings: a cost-effectiveness analysis.

    Directory of Open Access Journals (Sweden)

    Radha Rajasingham

    Full Text Available Cryptococcal meningitis (CM is the most common form of meningitis in Africa. World Health Organization guidelines recommend 14-d amphotericin-based induction therapy; however, this is impractical for many resource-limited settings due to cost and intensive monitoring needs. A cost-effectiveness analysis was performed to guide stakeholders with respect to optimal CM treatment within resource limitations.We conducted a decision analysis to estimate the incremental cost-effectiveness ratio (ICER of six CM induction regimens: fluconazole (800-1,200 mg/d monotherapy, fluconazole + flucytosine (5FC, short-course amphotericin (7-d + fluconazole, 14-d of amphotericin alone, amphotericin + fluconazole, and amphotericin + 5FC. We computed actual 2012 healthcare costs in Uganda for medications, supplies, and personnel, and average laboratory costs for three African countries. A systematic review of cryptococcal treatment trials in resource-limited areas summarized 10-wk survival outcomes. We modeled one-year survival based on South African, Ugandan, and Thai CM outcome data, and survival beyond one-year on Ugandan and Thai data. Quality-adjusted life years (QALYs were determined and used to calculate the cost-effectiveness ratio and ICER. The cost of hospital care ranged from $154 for fluconazole monotherapy to $467 for 14 d of amphotericin + 5FC. Based on 18 studies investigating outcomes for HIV-infected individuals with CM in resource-limited settings, the estimated mean one-year survival was lowest for fluconazole monotherapy, at 40%. The cost-effectiveness ratio ranged from $20 to $44 per QALY. Overall, amphotericin-based regimens had higher costs but better survival. Short-course amphotericin (1 mg/kg/d for 7 d with fluconazole (1,200 mg/d for14 d had the best one-year survival (66% and the most favorable cost-effectiveness ratio, at $20.24/QALY, with an ICER of $15.11 per additional QALY over fluconazole monotherapy. The main limitation of this

  5. Cost effectiveness of medical devices to diagnose pre-eclampsia in low-resource settings

    Directory of Open Access Journals (Sweden)

    Zoë M. McLaren

    Full Text Available Background: Maternal mortality remains a major health challenge facing developing countries, with pre-eclampsia accounting for up to 17% of maternal deaths. Diagnosis requires skilled health providers and devices that are appropriate for low-resource settings. This study presents the first cost-effectiveness analysis of multiple medical devices used to diagnose pre-eclampsia in low- and middle-income countries (LMICs. Methods: Blood pressure and proteinuria measurement devices, identified from compendia for LMICs, were included. We developed a decision tree framework to assess the cost-effectiveness of each device using parameter values that reflect the general standard of care based on a survey of relevant literature and expert opinion. We examined the sensitivity of our results using one-way and second-order probabilistic multivariate analyses. Results: Because the disability-adjusted life years (DALYs averted for each device were very similar, the results were influenced by the per-use cost ranking. The most cost-effective device combination was a semi-automatic blood pressure measurement device and visually read urine strip test with the lowest combined per-use cost of $0.2004 and an incremental cost effectiveness ratio of $93.6 per DALY gained relative to a baseline with no access to diagnostic devices. When access to treatment is limited, it is more cost-effective to improve access to treatment than to increase testing rates or diagnostic device sensitivity. Conclusions: Our findings were not sensitive to changes in device sensitivity, however they were sensitive to changes in the testing rate and treatment rate. Furthermore, our results suggest that simple devices are more cost-effective than complex devices. The results underscore the desirability of two design features for LMICs: ease of use and accuracy without calibration. Our findings have important implications for policy makers, health economists, health care providers and

  6. Cost-Effectiveness Analysis of an Automated Medication System Implemented in a Danish Hospital Setting.

    Science.gov (United States)

    Risør, Bettina Wulff; Lisby, Marianne; Sørensen, Jan

    To evaluate the cost-effectiveness of an automated medication system (AMS) implemented in a Danish hospital setting. An economic evaluation was performed alongside a controlled before-and-after effectiveness study with one control ward and one intervention ward. The primary outcome measure was the number of errors in the medication administration process observed prospectively before and after implementation. To determine the difference in proportion of errors after implementation of the AMS, logistic regression was applied with the presence of error(s) as the dependent variable. Time, group, and interaction between time and group were the independent variables. The cost analysis used the hospital perspective with a short-term incremental costing approach. The total 6-month costs with and without the AMS were calculated as well as the incremental costs. The number of avoided administration errors was related to the incremental costs to obtain the cost-effectiveness ratio expressed as the cost per avoided administration error. The AMS resulted in a statistically significant reduction in the proportion of errors in the intervention ward compared with the control ward. The cost analysis showed that the AMS increased the ward's 6-month cost by €16,843. The cost-effectiveness ratio was estimated at €2.01 per avoided administration error, €2.91 per avoided procedural error, and €19.38 per avoided clinical error. The AMS was effective in reducing errors in the medication administration process at a higher overall cost. The cost-effectiveness analysis showed that the AMS was associated with affordable cost-effectiveness rates. Copyright © 2017 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

  7. [Evaluation of the effectiveness of body-psychotherapy in out-patient settings (EEBP)].

    Science.gov (United States)

    Koemeda-Lutz, Margit; Kaschke, Martin; Revenstorf, Dirk; Scherrmann, Thomas; Weiss, Halko; Soeder, Ulrich

    2006-12-01

    Results from a multi-center evaluation study of body-psychotherapies are reported. The design is naturalistic and evaluates the effectiveness of routine applications of body-psychotherapy in outpatient settings. 3 German and 5 Swiss member institutes of the European Association for Body Psychotherapy (EABP: 38 members) participated, the Swiss institutes also being members of the Schweizer Charta für Psychotherapie. At three points of measurement (at intake, after 6 months and at the end of therapy [after two years at maximum]) well established questionnaires (e. g. BAI, BDI, SCL-90-R, IIP-D) were administered. Meanwhile we also have catamnestic data at 1 year after termination of therapy (n = 42). Patients who seek body-psychotherapeutic treatment (n = 342 participated in the study) compare to other outpatient psychotherapeutic patients concerning sociodemographic data, level of impairment and psychopathology. After six months of therapy (n = 253) these patients have significantly improved with small to moderate intraclass effect sizes. At the end of therapy or after two years of treatment at maximum (n = 160) large effect sizes are attained in all scales. These are lasting results according to catamnestic data (n = 42). This naturalistic prospective field study claims to supply evidence for the effectiveness of the evaluated body-psychotherapeutic methods and to classify as phase IV- ("routine application") and level I-evidence.

  8. The effect of different foot and hand set-up positions on backstroke start performance.

    Science.gov (United States)

    de Jesus, Karla; de Jesus, Kelly; Abraldes, J Arturo; Mourão, Luis; Borgonovo-Santos, Márcio; Medeiros, Alexandre I A; Gonçalves, Pedro; Chainok, Phornpot; Fernandes, Ricardo J; Vaz, Mário A P; Vilas-Boas, João Paulo

    2016-11-01

    Foot and hand set-up position effects were analysed on backstroke start performance. Ten swimmers randomly completed 27 starts grouped in trials (n = 3) of each variation, changing foot (totally immersed, partially and totally emerged) and hand (lowest, highest horizontal and vertical) positioning. Fifteen cameras recorded kinematics, and four force plates collected hands and feet kinetics. Standardised mean difference and 95% confidence intervals were used. Variations with feet immersed have shown lower vertical centre of mass (CM) set-up position (0.16 m), vertical impulse exerted at the hands, horizontal and vertical impulse exerted at the feet (0.28, 0.41, 0.16 N/BW.s, respectively) than feet emerged with hands horizontal and vertically positioned. Most variations with feet partially emerged exhibited higher and lesser vertical impulse exerted at hands than feet immersed and emerged (e.g. vertical handgrip, 0.13, 0.15 N/BW.s, respectively). Variation with feet emerged and hands on the lowest horizontal handgrip depicted shorter horizontal (0.23, 0.26 m) and vertical CM positioning at flight (0.16, 0.15 m) than the highest horizontal and vertical handgrip, respectively. Start variations have not affected 15-m time. Variations with feet partially or totally emerged depicted advantages, but focusing on the entry and underwater biomechanics is relevant for a shorter start time.

  9. The effect of different adhesives and setting times on bond strength between Biodentine and composite.

    Science.gov (United States)

    Çolak, Hakan; Tokay, Uğur; Uzgur, Recep; Uzgur, Zeynep; Ercan, Ertuğrul; Hamidi, Mehmet M

    2016-05-18

    The aim of this study was to evaluate the effects of 3 different adhesives with different functional monomers, on the shear bond strength (SBS) of Biodentine®. Acrylic blocks (n = 90) were prepared and a 2-mm height x 4-mm diameter hole was opened in each block. Every hole was completely restored with Biodentine®. Before preparation of composite restorations over the Biodentine® (2-mm height x 2-mm diameter), 3 different adhesives (Etch-37 (37%) w/BAC by Bisco & Prime Bond N&T, Clearfil S3 Bond and Adper Prompt L-Pop) were applied. SBS was evaluated using a universal testing machine, and failure mode for each sample was recorded. The results were statistically analyzed using 2-way ANOVA and post hoc Tukey test. When the megapascal values of all groups were compared, although there was no statistically significant difference in the different setting times (p>0.05), statistically significant differences were observed among all adhesive groups (p<0.05). Moreover, the highest SBS values were observed in the Clearfil S3 Bond group. Clinical performance of Biodentine® may be affected by adhesive procedures and its setting time.

  10. Pollen viability and its effect on fruit set of oil palm (Elaeis guineensis Jacq.

    Directory of Open Access Journals (Sweden)

    ALFIN WIDIASTUTI

    2008-01-01

    Full Text Available The research was aimed at studying (1 the decline of pollen viability during storage, and (2 the effect of pollen amount on fruit set of oil palm (Elaeis guineensis Jacq.. The experiment was conducted at PT. Dami Mas Sejahtera and PT. Sinar Mas Agro Resource and Technology (SMART Tbk, Riau from February to August 2004. The first experiment was investigated up to six months storage period in the refrigerator, whereas in the second experiment a randomized complete block design with two factors was used: length of storage, i.e. 0, 1 and 2 months and amount of pollen, i.e. 0.022, 0.044, 0.066, 0.088, and 0.11 g mixed with powder to 10g to pollinate an inflorescence. The result showed that the viability of pollen started to decline three months after storage from about 92% to 83%, and declined to about 75% after six months of storage. Result of the second experiment showed that storage of pollen up to two months did not affect percentage of normal fruit, although the percentage of parthenocarpic fruits was decreased. This could be due to the high viability of pollen as the viability was remained high (about 90% after being stored for two months in the refrigerator. Pollen with high viability could be used in a smaller amount to pollinate a female inflorescence without affecting fruit set of about 70-76%.SD037 had a higher reproductive success than SD038 and SD39.

  11. The effects of goal involvement on moral behavior in an experimentally manipulated competitive setting.

    Science.gov (United States)

    Sage, Luke; Kavussanu, Maria

    2007-04-01

    In this experiment we examined the effects of task and ego involvement on three measures of moral behavior--prosocial choice, observed prosocial behavior, and observed antisocial behavior--in a competitive setting. We also investigated sex differences in moral behavior. Male (n = 48) and female (n = 48) college students were randomly assigned to a task-involving, an ego-involving, or a control condition. Participants played two 10-min games of table soccer and completed measures of prosocial choice, goal involvement, goal orientation, and demographics. The two games were recorded, and frequencies of prosocial and antisocial behavior were coded. Players assigned to the task-involving condition were higher in prosocial choice than those in the ego-involving or control conditions. Individuals in the ego-involving condition displayed more antisocial behaviors than those in the task-involving or control conditions. Finally, females displayed more prosocial behaviors than males.

  12. Effects of silicon on seed setting rate of rice intersubspecific hybrids.

    Science.gov (United States)

    Li, W-C; Zhang, L; Wang, J; Wang, D; Wang, T-X; Duan, C-X

    2015-09-01

    The present study found semi-sterility in rice intersubspecific hybrids of 'Taichung 65' x 'Guangluai 4' and 'Ludao' x 'Qiuguang'. Embryo sac fertility was evaluated using the overall staining transparent method. The results showed that the embryo sac contained a normal egg cell, normal synergid cells, polar nuclei cells, and antipodal cells, indicating that semi-sterility was caused mainly by pollen semi-sterility. In the pot experiment, the effects of silicon on the seed-setting rate of the two intersubspecific hybrids were examined. The results showed that the rate of anther dehiscence, number of pollen per stigma of Fl plants, potential of pollen grain germination, and fertility of the spikelet were significantly improved by the utilization of silicon fertilizer.

  13. A rank-based statistical test for measuring synergistic effects between two gene sets.

    Science.gov (United States)

    Shiraishi, Yuichi; Okada-Hatakeyama, Mariko; Miyano, Satoru

    2011-09-01

    Due to recent advances in high-throughput technologies, data on various types of genomic annotation have accumulated. These data will be crucially helpful for elucidating the combinatorial logic of transcription. Although several approaches have been proposed for inferring cooperativity among multiple factors, most approaches are haunted by the issues of normalization and threshold values. In this article, we propose a rank-based non-parametric statistical test for measuring the effects between two gene sets. This method is free from the issues of normalization and threshold value determination for gene expression values. Furthermore, we have proposed an efficient Markov chain Monte Carlo method for calculating an approximate significance value of synergy. We have applied this approach for detecting synergistic combinations of transcription factor binding motifs and histone modifications. C implementation of the method is available from http://www.hgc.jp/~yshira/software/rankSynergy.zip. yshira@hgc.jp Supplementary data are available at Bioinformatics online.

  14. Economics of individualization in comparative effectiveness research and a basis for a patient-centered health care.

    Science.gov (United States)

    Basu, Anirban

    2011-05-01

    The United States aspires to use information from comparative effectiveness research (CER) to reduce waste and contain costs without instituting a formal rationing mechanism or compromising patient or physician autonomy with regard to treatment choices. With such ambitious goals, traditional combinations of research designs and analytical methods used in CER may lead to disappointing results. In this paper, I study how alternate regimes of comparative effectiveness information help shape the marginal benefits (demand) curve in the population and how such perceived demand curves impact decision-making at the individual patient level and welfare at the societal level. I highlight the need to individualize comparative effectiveness research in order to generate the true (normative) demand curve for treatments. I discuss methodological principles that guide research designs for such studies. Using an example of the comparative effect of substance abuse treatments on crime, I use novel econometric methods to salvage individualized information from an existing dataset. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. The effect of glass shape on alcohol consumption in a naturalistic setting: a feasibility study.

    Science.gov (United States)

    Troy, David M; Maynard, Olivia M; Hickman, Matthew; Attwood, Angela S; Munafò, Marcus R

    2015-12-01

    Alcohol-related harms are a major public health concern, and population-level interventions are needed to reduce excessive alcohol consumption. Glass shape is an easily modifiable target for public health intervention. Laboratory findings show beer is consumed slower from a straight glass compared to a curved glass, but these findings have not been replicated in a naturalistic setting. The purpose of this study is to investigate the feasibility of conducting a randomised controlled trial investigating the effect of glass shape on alcohol consumption in public houses. Straight and curved half-pint and pint glasses were delivered to three public houses over two weekends. Glass type was counterbalanced over the two weekends and between the public houses. Monetary takings were recorded as an indirect measure of consumption. Replacing stocks of glassware in public houses was feasible and can be enacted in a short space of time. One landlord found the study too disruptive, possibly due to a laborious exchange of glassware and complaints about the new glassware from some customers. One public house's dishwasher could not accommodate the supplied curved full-pint glasses. Obtaining monetary takings from public house staff was a feasible and efficient way of measuring consumption, although reporting absolute amounts may be commercially sensitive. Monetary takings were reduced by 24 % (95 % confidence interval 77 % reduction to 29 % increase) when straight glasses were used compared to curved glasses. This study shows that it is feasible to carry out a trial investigating glass shape in a naturalistic environment, although a number of challenges were encountered. Brewery owners and landlords are willing to engage with public health research in settings where alcohol is consumed, such as public houses. Good communication with stakeholders was vital to acquire good data, and highlighting the potential commercial benefits of participating was vital to the study's success. A

  16. Kangaroo mother care in resource-limited settings: implementation, health benefits, and cost-effectiveness

    Directory of Open Access Journals (Sweden)

    Uwaezuoke SN

    2017-06-01

    Full Text Available Samuel N Uwaezuoke Department of Pediatrics, University of Nigeria Teaching Hospital, Ituku–Ozalla, Enugu, Nigeria Abstract: Kangaroo mother care (KMC represents an intervention in low birth weight infants for resource-limited settings which aims to reduce mortality rates by thermoregulation, supporting breastfeeding, and promoting early hospital discharge. In terms of cost and impact on neonatal survival, it has comparative advantages over the conventional method of care (CMC. This paper aimed to review the evidence concerning the progress of KMC implementation, its health benefits, and its cost-effectiveness, especially in developing countries. From the synthesized evidence, KMC was shown to be a useful adjunct to CMC particularly with respect to improving neonatal survival, supporting breastfeeding, and promoting early discharge from the hospital. Substantial progress has been made in its implementation in many developing countries where facility-based KMC has been institutionalized. Despite the cost-effectiveness of KMC in neonatal care, its global implementation is bedeviled with country-specific, multifaceted challenges. In developed countries, there is an implementation gap due to easy accessibility to technology-based CMC. Nevertheless, many developing countries have initiated national policies to scale up KMC services in their domain. Given the major constraints to program implementation peculiar to these resource-limited countries, it has become imperative to boost caregiver confidence and experience using dedicated spaces in the hospital, as well as dedicated staff meant for adequate ambulatory follow-up and continuous health education. Capacity training for health professionals and provision of space infrastructure thus constitute the basic needs which could be funded by International Aid Agencies in order to scale up the program in these settings. Keywords: neonatal care, low birth weight infants, thermoregulation, breastfeeding

  17. Effects of neurofeedback on adult patients with psychiatric disorders in a naturalistic setting.

    Science.gov (United States)

    Cheon, Eun-Jin; Koo, Bon-Hoon; Seo, Wan-Seok; Lee, Jun-Yeob; Choi, Joong-Hyeon; Song, Shin-Ho

    2015-03-01

    Few well-controlled studies have considered neurofeedback treatment in adult psychiatric patients. In this regard, the present study investigates the characteristics and effects of neurofeedback on adult psychiatric patients in a naturalistic setting. A total of 77 adult patients with psychiatric disorders participated in this study. Demographic data and neurofeedback states were retrospectively analyzed, and the effects of neurofeedback were evaluated using clinical global impression (CGI) and subjective self-rating scales. Depressive disorders were the most common psychiatric disorders (19; 24.7 %), followed by anxiety disorders (18; 23.4 %). A total of 69 patients (89.6 %) took medicine, and the average frequency of neurofeedback was 17.39 ± 16.64. Neurofeedback was applied to a total of 39 patients (50.6 %) more than 10 times, and 48 patients (62.3 %) received both β/SMR and α/θ training. The discontinuation rate was 33.8 % (26 patients). There was significant difference between pretreatment and posttreatment CGI scores (neurofeedback as an effective complimentary treatment for adult patients with psychiatric disorders.

  18. Effects of bariatric surgery on the level of hormones that regulate body weight. What is the basis of success?

    Directory of Open Access Journals (Sweden)

    Alina Yur'evna Babenko

    2014-06-01

    Full Text Available The growth of obesity and type 2 diabetes incidence has made bariatric surgery a widespread method of treatment. The effectiveness of bariatricoperations in the treatment of obesity and related metabolic diseases is thoroughly highlighted in medical literature. However, the resultsof surgery do not always correlate with type of operation. As before, the mechanisms have not been fully studied of how the bariatric surgeryinfluence on insulinresistance, entero-insulin axes, adipokines. Understanding such mechanisms will allow us to determine more precisely theindications relating to surgical treatment, and enhance the effectiveness of surgery in specific patient. The review is focusing on the influence ofvarious types of bariatric surgery on the level of adipokines and incretines that participate in regulation of appetite and of fat and carbohydratemetabolism. The article elaborates modern concepts related to the impact of bariatric operations on metabolic disorders in obesity.

  19. Effects of cluster vs. traditional plyometric training sets on maximal-intensity exercise performance

    Directory of Open Access Journals (Sweden)

    Abbas Asadi

    2016-01-01

    Conclusions: Although both plyometric training methods improved lower body maximal-intensity exercise performance, the traditional sets methods resulted in greater adaptations in sprint performance, while the cluster sets method resulted in greater jump and agility adaptations.

  20. Effects of bariatric surgery on the level of hormones that regulate body weight. What is the basis of success?

    OpenAIRE

    Alina Yur'evna Babenko; Aleksandr Evgen'evich Neymark; Kristina Aleksandrovna Anisimova; Elena Nikolaevna Nikolaevna Grineva Elena Nikolaevna

    2014-01-01

    The growth of obesity and type 2 diabetes incidence has made bariatric surgery a widespread method of treatment. The effectiveness of bariatricoperations in the treatment of obesity and related metabolic diseases is thoroughly highlighted in medical literature. However, the resultsof surgery do not always correlate with type of operation. As before, the mechanisms have not been fully studied of how the bariatric surgeryinfluence on insulinresistance, entero-insulin axes, adipokines. Understan...

  1. Acute effect of proprioceptive neuromuscular facilitation stretching on the number of repetitions performed during a multiple set resistance exercise protocol.

    Science.gov (United States)

    Keese, Felipe; Farinatti, Paulo; Massaferri, Renato; Matos-Santos, Lenifran; Silva, Nadia; Monteiro, Walace

    2013-11-01

    It has been proposed that fatigue during strength exercise is negatively influenced by prior proprioceptive neuromuscular facilitation (PNF) stretching. However, it is possible that the effects of PNF on muscle endurance are affected by stretching duration. This study investigated the influence of PNF on the number of repetitions of the leg curl exercise performed with multiple sets and submaximal load. Nineteen men (age 25 ± 1 years, weight 75.8 ± 4.2 kg, height 178.1 ± 3.8 cm, 10-repetition maximum [RM] 78.3 ± 6.9 kg) performed 4 sets of leg curl with 10RM load with and without previous PNF (3 sets of hip flexion either with knees extended or flexed, duration ~2.5 minutes). The total number of repetitions decreased along sets in both situations (38.6% in control and 41.0% in PNF sessions, p < 0.001). However, no difference between control and PNF was detected for the number of repetitions in each set (first set, p = 0.330; second set, p = 0.072; third set, p = 0.061; fourth set, p = 0.150). In conclusion, the number of repetitions performed in multiple sets of the leg curl was not decreased by prior PNF stretching. Therefore, it appears that a moderate level of PNF could be used before resistance exercise with a minimal negative effect.

  2. About possibility of creation of ecologically pure, safe nuclear power plants on the basis of high-effective resonant neutron interaction with splitting substances

    International Nuclear Information System (INIS)

    Irdyncheyev, L.A.; Malofeyev, A.M.; Frid, E.S.; Abramov, E.P.

    1993-01-01

    Currently the most important problem in nuclear engineering is creation of ecologically pure, safe nuclear power plants in the context of real danger of global ecological pollution of the environment with long-lived fission products and the resultant transuranium nuclides. The problem can be solved by creating nuclear power plants on the basis of high-effective resonant interaction (HERI). Such power plants would provide the total cycle, including nuclear fuel production (Plutonium-239 from Uranium-238), combustion and waste products salvaging by way of transformation of radioactive nuclides into stable isotopes

  3. Molecular Basis of the Anti-Cancer Effects of Genistein Isoflavone in LNCaP Prostate Cancer Cells.

    Directory of Open Access Journals (Sweden)

    Hartmann J

    2011-03-01

    Full Text Available Background: Prostate cancer is the most common form of non-skin cancer within the United States and the second leading cause of cancer deaths. Survival rates for the advanced disease remain relatively low, and conventional treatments may be accompanied by significant side effects. As a result, current research is aimed at alternative or adjuvant treatments that will target components of the signal transduction, cell-cycle and apoptosis pathways, to induce cell death with little or no toxic side effects to the patient. In this study, we investigated the effect of genistein isoflavone, a soy derivative, on expression levels of genes involved in these pathways. The mechanism of genistein-induced cell death was also investigated. The chemosensitivity of the LNCaP prostate cancer cells to genistein was investigated using ATP and MTS assays, and a caspase binding assay was used to determine apoptosis induction. Several molecular targets were determined using cDNA microarray and RT-PCR analysis.Results: The overall data revealed that genistein induces cell death in a time- and dose-dependent manner, and regulates expression levels of several genes involved in carcinogenesis and immunity. Several cell-cycle genes were down-regulated, including the mitotic kinesins, cyclins and cyclin-dependent kinases. Various members of the Bcl-2 family of apoptotic proteins were also affected. The DefB1 and the HLA membrane receptor genes involved in immunogenicity were also up-regulated.Conclusion: The results indicate that genistein inhibits growth of the hormone-dependent prostate cancer cells, LNCaP, via apoptosis induction through regulation of some of the genes involved in carcinogenesis of many tumors, and immunogenicity. This study augments the potential phytotherapeutic and immunotherapeutic significance of genistein isoflavone.

  4. HIGHLY EFFECTIVE CHEMICAL MODIFIERS FOR PRODUCTION OF CONCRETES WITH PRE-SET PROPERTIES

    Directory of Open Access Journals (Sweden)

    Tkach Evgeniya Vladimirovna

    2012-10-01

    Full Text Available The paper demonstrates the application of industrial by-products and recycled materials. Waterproofing admixtures improve the structure and the properties of the cement stone. Development and preparation of highly effective waterproofing modifiers of durable effect, as well as development of the process procedure parameters, including mixing, activation, heat treatment, etc. are to be implemented. The composition of waterproofing modifiers is to be fine-tuned to synergize the behaviour of various ingredients of cement systems to assure the substantial improvement of their strength, freeze- and corrosion resistance. Multi-functional waterproofing admixtures were used to produce highly effective modified concretes. The key idea of the new method of modifying cement-based building materials is that the waterproofing admixture concentration is to exceed 10% of the weight of the binding agent within the per-unit weight of the cement stone, given that its strength does not deteriorate. GKM-type modifier coupled with organo-mineral waterproofing admixture concentration agent GT-M may be recommended for mass use in the manufacturing of hydraulic concrete and reinforced concrete products. Overview of their practical implementation has proven that waterproofing modifier GKM-S, if coupled with waterproofing admixture concentration agent GT-M, improves the corrosion control inside the cement stone and makes it possible to manufacture durable concrete and reinforced concrete products that demonstrate pre-set physical and processing behaviour. Comprehensive concrete modification by modifier GKM-S and waterproofing admixture concentration agent GT-M may be regarded as one of the most ambitious methods of production of highly effective waterproof concretes.

  5. Reassessment of the differential effects of ultraviolet and ionizing radiation on HIV promoter: the use of cell survival as the basis for comparisons

    International Nuclear Information System (INIS)

    Beer, J.Z.; Olvey, K.M.; Lee, W.; Zmudzka, B.Z.

    1994-01-01

    Effects of different radiation treatments on the human immunodeficiency virus-1 (HIV) promoter were reassessed for exposures comparable to those encountered in clinical or cosmetic practice, using survival of the host cell as a basis for comparisons. The exposures were performed with two ultraviolet radiation sources commonly used as medical or cosmetic devices (UVASUN 2000 and FS20 lamps), a germicidal (G15T8) lamp and an X-ray machine. The UVC component of the FS20 lamp was filtered out. The emission spectra of the lamps were determined. The characteristics of these sources allowed us to discriminate among effects of UVA1 (340-400 nm), UVB + UVA2 (280-340 nm) and UVC (254 nm) radiations. Effects of irradiation were ascertained using cultures of HeLa cells stably transfected with the HIV promoter linked to a reporter-chloramphenicol acetyl transferase-gene. (Author)

  6. Nitrogen deficiency in maize. I. Effects on crop growth, development, dry matter partitioning, and kernel set

    International Nuclear Information System (INIS)

    Uhart, S.A.; Andrade, F.H.

    1995-01-01

    Variations in N availability affect growth and development of maize (Zea mays L.) and may lead to changes in crop physiological conditions at flowering and in kernel set. The objectives of this study were (i) to establish the effect of N availability on crop development, crop radiation interception, radiation use efficiency, and dry matter partitioning; and (ii) to study the relationship between kernel number and crop growth at flowering and between kernel number and crop N accumulation at flowering. Three experiments with a commercial hybrid (DK636) were carried out under field conditions at the INTA Balcarce Experimental Station, Argentina, without water limitations. The treatments consisted of different radiation levels, obtained by shading, combined with different levels of N availability obtained by the addition of N fertilizer or organic matter to immobilize N. Nitrogen deficiencies delayed both vegetative and reproductive phenological development, slightly reduced leaf emergence rate, and strongly diminished leaf expansion rate and leaf area duration. Nitrogen deficiencies reduced radiation interception as much as radiation use efficiency and their effects on the ear dry mater/total dry matter ratio at harvest were associated with crop growth rate reductions at flowering. Dry matter partitioning to reproductive sinks at flowering and the ear dry matter/total dry matter ratio at harvest were reduced by N shortages. Significant relationships between kernel number and N accumulation rate or crop growth rate at flowering were fitted by linear + plateau functions with thresholds above which kernel number and grain yield did not increase

  7. Pilot study: investigating the effects of Kinesio Taping in an acute pediatric rehabilitation setting.

    Science.gov (United States)

    Yasukawa, Audrey; Patel, Payal; Sisung, Charles

    2006-01-01

    The purpose of this pilot study is to describe the use of the Kinesio Taping method for the upper extremity in enhancing functional motor skills in children admitted into an acute rehabilitation program. Fifteen children (10 females and 5 males; 4 to 16 years of age), who were receiving rehabilitation services at the Rehabilitation Institute of Chicago participated in this study. For 13 of the inpatients, this was the initial rehabilitation following an acquired disability, which included encephalitis, brain tumor, cerebral vascular accident, traumatic brain injury, and spinal cord injury. The Melbourne Assessment of Unilateral Upper Limb Function (Melbourne Assessment) was used to measure upper-limb functional change prior to use of Kinesio Tape, immediately after application of the tape, and 3 days after wearing tape. Children's upper-limb function was compared over the three assessments using analysis of variance. The improvement from pre- to posttaping was statistically significant, F(1, 14) = 18.9; p < .02. These results suggest that Kinesio Tape may be associated with improvement in upper-extremity control and function in the acute pediatric rehabilitation setting. The use of Kinesio Tape as an adjunct to treatment may assist with the goal-focused occupational therapy treatment during the child's inpatient stay. Further study is recommended to test the effectiveness of this method and to determine the lasting effects on motor skills and functional performance once the tape is removed.

  8. The impact of mindfulness on leadership effectiveness in a health care setting: a pilot study.

    Science.gov (United States)

    Wasylkiw, Louise; Holton, Judith; Azar, Rima; Cook, William

    2015-01-01

    The purpose of this paper is to examine the impact of mindfulness awareness practice (MAP) on mid-level health-care managers' leadership. In total, 11 mid-level health-care managers in eastern Canada took part in an intensive weekend retreat and a follow-up webinar on mindfulness awareness. Perceived stress and leadership effectiveness were assessed pre- and post-intervention (i.e. four and eight weeks). A control group (n=10) also completed the same measures twice. Additionally, informants (n=28) provided assessments of participants' leadership pre- and post-intervention. Follow-up interviews were carried out with eight participants 12-16 weeks post-intervention. In comparison to controls, retreat participants showed significant increases in mindfulness and corresponding decreases in stress that were sustained across eight weeks post-retreat; retreat participants reported significant positive changes in their leadership effectiveness that were corroborated by informants. Qualitative data, however, suggest that sustaining a mindfulness practice presents significant challenges to middle managers in a health care setting. The findings are useful to management working in health services that are plagued by increasing demands and changes. Despite the small sample and lack of random assignment, the pilot data support the efficacy of MAP in improving leadership. Little empirical research supports the claim that MAP enhances leadership. The present study employed a mixed methods approach to address this gap and demonstrates the potential benefits of MAP among mid-level managers.

  9. Indoor air pollutants in residential settings : respiratory health effects and remedial measures to minimize exposure

    Energy Technology Data Exchange (ETDEWEB)

    Small, B.M. [Small and Fleming Ltd., Georgetown, ON (Canada)

    2002-04-01

    The Ontario Lung Association's Movement for Clean Air Now (CAN DO) program focuses on educating the population about the possible adverse health effects of indoor air pollutants. The program is aimed at providing information on how to minimize exposure to pollutants in homes. This report presents an overview of the current understanding of, and recent developments in, specific indoor air quality issues and the extent to which they are know to present a risk to the respiratory health of the population, particularly the residential setting. Indoor air pollutants were assessed individually from a respiratory health perspective. The report describes the health problems associated with dampness, mould, bacteria, viruses, dust mites, cockroach antigen, animal dander, environmental tobacco smoke, products of combustion, products of emissions, radon, pesticides, and particulate matter. Each pollutant varies in nature, along with their potential respiratory effects, the degree of risk and the means of reducing exposure. Adverse respiratory health risks resulting from indoor pollutants can usually be reduced or eliminated by simple and practical measures such as eliminating dampness and water leakage, mould removal, sealing of soil gas entry points, cessation of smoking, and proper ventilation. the causal links between specific indoor pollutant exposures and specific adverse respiratory health symptoms was also examined. refs.

  10. Evaluation of Safety in a Radiation Oncology Setting Using Failure Mode and Effects Analysis

    International Nuclear Information System (INIS)

    Ford, Eric C.; Gaudette, Ray; Myers, Lee; Vanderver, Bruce; Engineer, Lilly; Zellars, Richard; Song, Danny Y.; Wong, John; DeWeese, Theodore L.

    2009-01-01

    Purpose: Failure mode and effects analysis (FMEA) is a widely used tool for prospectively evaluating safety and reliability. We report our experiences in applying FMEA in the setting of radiation oncology. Methods and Materials: We performed an FMEA analysis for our external beam radiation therapy service, which consisted of the following tasks: (1) create a visual map of the process, (2) identify possible failure modes; assign risk probability numbers (RPN) to each failure mode based on tabulated scores for the severity, frequency of occurrence, and detectability, each on a scale of 1 to 10; and (3) identify improvements that are both feasible and effective. The RPN scores can span a range of 1 to 1000, with higher scores indicating the relative importance of a given failure mode. Results: Our process map consisted of 269 different nodes. We identified 127 possible failure modes with RPN scores ranging from 2 to 160. Fifteen of the top-ranked failure modes were considered for process improvements, representing RPN scores of 75 and more. These specific improvement suggestions were incorporated into our practice with a review and implementation by each department team responsible for the process. Conclusions: The FMEA technique provides a systematic method for finding vulnerabilities in a process before they result in an error. The FMEA framework can naturally incorporate further quantification and monitoring. A general-use system for incident and near miss reporting would be useful in this regard.

  11. Cytogenetic effects of commercial formulation of cypermethrin in root meristem cells of Allium sativum: spectroscopic basis of chromosome damage.

    Science.gov (United States)

    Saxena, P N; Chauhan, L K S; Gupta, S K

    2005-12-15

    To validate the use of Allium sativum as a sensitive test model for genotoxicity, the cytogenetic effects of a commercial formulation of the pyrethroid insecticide, cypermethrin, were evaluated in the root meristem cells of A. sativum. Ultraviolet (UV) and Fourier transform infrared (FTIR) spectral measurements were also carried out to understand the interaction of cypermethrin with DNA. In a preliminary toxicity assay, the EC50 for Allium root growth was estimated to be 8 ppm. For the cytogenetic assay, root meristem cells were exposed to 1, 2, 4, 8 and 16 ppm of the test compound for 24 h, and either processed immediately for analysis or incubated in water for 24 h of recovery and then processed. Cells analyzed immediately after the exposure had a significant, dose-dependent inhibition of mitotic index (MI) and induction of mitotic and chromosomal aberrations (MAs and CAs). The 24 h recovery period reduced the effect of the test compound on the MI and percent aberrations; however, cells exposed to 8 and 16 ppm showed a significant frequency of aberrations despite the recovery period. One part per million cypermethrin was consistently negative in the assay. The data indicate that higher doses of cypermethrin produce toxicity, CAs and MAs in A. sativum. The present study indicates that A. sativum is a sensitive and reliable test system. A bathochromic shift observed in UV absorption spectra reveals that cypermethrin binds with DNA. Role of vibrational modes of the active site in the recognition and reaction of cypermethrin with DNA has been discussed. Based on spectroscopic data and structural properties, a possible mechanism has been proposed for the interaction of cypermethrin with DNA resulting in chromosomal aberrations.

  12. The Experience and Effectiveness of Nurse Practitioners in Orthopaedic Settings: A Comprehensive Systematic Review.

    Science.gov (United States)

    Taylor, Anita; Staruchowicz, Lynda

    2012-01-01

    This review asks "What is the experience and effectiveness of nurse practitioners in orthopaedic settings"?The objective of the quantitative component of this review is to synthesise the best available evidence on effectiveness of orthopaedic nurse practitioner specific care on patient outcomes and process indicators.The objective of the qualitative component of this review is to synthesise the best available evidence on the experience of becoming or being an orthopaedic nurse practitioner in relation to role development, role implementation and (ongoing) role evaluation.The objective of the text and opinion component of this review is to synthesise the best available evidence of the contemporary discourse on the effectiveness and experience of nurse practitioners in orthopaedic settings. Nurse practitioner roles have emerged in response to areas of unmet healthcare needs in a variety of settings. Nurse practitioners first evolved in the United States 40 years ago in response to a shortage of primary health care physicians. Nurse practitioners filled the void by providing access to primary health care services where otherwise there was none. Nurse practitioners comprise one branch of advanced nursing practice in the US along with Nurse Anaesthetists (NA), Clinical Nurse Specialists (CNS) and Nurse Midwives (NM). Canada soon followed America's lead by establishing the nurse practitioner role in 1967. Canada has two areas of advanced nursing practice, namely nurse practitioner and clinical nurse specialist; they are moving towards introducing nurse anaesthetists currently. The nurse practitioner role was introduced into the United Kingdom 20 years ago.There is commonality amongst the definition and characteristics of Nurse Practitioner (NP)/Advanced Practice Nurse (APN) role and practice internationally in terms of education, practice standards and regulation; operationally there is variability however. Australia's progress with nurse practitioners is very much

  13. Effect of fatty acids on functional properties of normal wheat and waxy wheat starches: A structural basis.

    Science.gov (United States)

    Wang, Shujun; Wang, Jinrong; Yu, Jinglin; Wang, Shuo

    2016-01-01

    The effects of three saturated fatty acids on functional properties of normal wheat and waxy wheat starches were investigated. The complexing index (CI) of normal wheat starch-fatty acid complexes decreased with increasing carbon chain length. In contrast, waxy wheat starch-fatty acid complexes presented much lower CI. V-type crystalline polymorphs were formed between normal wheat starch and three fatty acids, with shorter chain fatty acids producing more crystalline structure. FTIR and Raman spectroscopy presented the similar results with XRD. The formation of amylose-fatty acid complex inhibited granule swelling, gelatinization progression, retrogradation and pasting development of normal wheat starch, with longer chain fatty acids showing greater inhibition. Amylopectin can also form complexes with fatty acids, but the amount of complex was too little to be detected by XRD, FTIR, Raman and DSC. As a consequence, small changes were observed in the functional properties of waxy wheat starch with the addition of fatty acids. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. A depth-averaged debris-flow model that includes the effects of evolving dilatancy. I. physical basis

    Science.gov (United States)

    Iverson, Richard M.; George, David L.

    2014-01-01

    To simulate debris-flow behaviour from initiation to deposition, we derive a depth-averaged, two-phase model that combines concepts of critical-state soil mechanics, grain-flow mechanics and fluid mechanics. The model's balance equations describe coupled evolution of the solid volume fraction, m, basal pore-fluid pressure, flow thickness and two components of flow velocity. Basal friction is evaluated using a generalized Coulomb rule, and fluid motion is evaluated in a frame of reference that translates with the velocity of the granular phase, vs. Source terms in each of the depth-averaged balance equations account for the influence of the granular dilation rate, defined as the depth integral of ∇⋅vs. Calculation of the dilation rate involves the effects of an elastic compressibility and an inelastic dilatancy angle proportional to m−meq, where meq is the value of m in equilibrium with the ambient stress state and flow rate. Normalization of the model equations shows that predicted debris-flow behaviour depends principally on the initial value of m−meq and on the ratio of two fundamental timescales. One of these timescales governs downslope debris-flow motion, and the other governs pore-pressure relaxation that modifies Coulomb friction and regulates evolution of m. A companion paper presents a suite of model predictions and tests.

  15. Effective knowledge management as basis for holistic knowledge engineering – Knowledge as the key asset of an organization

    Directory of Open Access Journals (Sweden)

    Svetlana Lazović

    2013-03-01

    Full Text Available In knowledge management , human resources are in the foreground and their value is constantly rising. In the eyes of modern managers knowledge is the key asset of an organization. Effective management and management of knowledge processes are central preoccupations of modern managers and, at the same time, the most prominent feature of a knowledge-based organization. Like innovation and creativity, knowledge needs to be encouraged and treated with due care. Commitment to acquisition of new knowledge depends on how the interpersonal relationships are managed in an organization, therefore, those responsible for knowledge processes, the so-called modern knowledge managers, will develop partnership relation- ships with all members of their organization. In the core of such partnerships lie competences of individual employees and their creative application of knowledge. By encouraging learning, discussions and opinion exchange as well as personal and professional growth of their employees, management in knowledge-based organizations is improving the quality of work, and consequently, generation of new knowledge and their organization’s competitive advantage.

  16. Biochemical and immunological basis of silymarin effect, a milk thistle (Silybum marianum) against ethanol-induced oxidative damage.

    Science.gov (United States)

    Das, Subir Kumar; Mukherjee, Sukhes

    2012-06-01

    Ethanol metabolism induces generation of excessive amount of reactive oxygen species (ROS) which results in immune dysfunction. We examined the efficacy of silymarin on ethanol-induced oxidative stress, immunomodulatory activity, and vascular function in mice blood. Effectiveness of silymarin was compared with potent antioxidant ascorbic acid. In the present study, 8- to 10-week-old male BALB/c mice (20-30 g) were divided into the four groups of six each. One group were fed with ethanol (1.6 g/kg body weight), while second group were fed with ethanol (1.6 g/kg body weight) and silybin (250 mg/kg body weight), and the third group were exposed to ethanol (250 mg/kg body weight) and ascorbic acid (250 mg/kg body weight) per day for 12 weeks. The control group was fed with isocaloric glucose solution instead of ethanol. Ethanol exposure significantly increased thiobarbituric acid reactive substance (TBARS) and nitrite levels besides glutathione-S-transferase (GST) activity, and significantly decreased reduced glutathione (GSH) content and the activities of superoxide dismutase (SOD), catalase (CAT), glutathione reductase (GR), and glutathione peroxidase (GPx) in whole blood hemolyzate, while silymarin treatment significantly normalized these altered parameters. Silymarin significantly prevented ethanol-induced, elevated activities of interleukin (IL)-10, tumor necrosis factor (TNF)-α, γ interferon (IFN-γ), vascular endothelial growth factor (VEGF)-A, and transforming growth factor (TGF)-β1, as well as decreased IL-4 activity in mice blood. These results were comparable with the activity of ascorbic acid.

  17. EcAMSat: Effect of Space-Flight on Antibiotic Resistance of a Pathogenic Bacterium and its Genetic Basis

    Science.gov (United States)

    Matin, A. C.; Benoit, M.; Chin. M.; Chinn, T. N.; Cohen, A.; Friedericks, C.; Henschke, M. B.; Keyhan, M.; Lera, M. P.; Padgen, M. R.; hide

    2015-01-01

    Human immune response is compromised in space and incidence of urinary tract infections (UTI) in astronauts has been reported. We have found that the causative agent of UTI, the uropathogenic Escherichia coli, becomes more resistant to gentamicin (Gm), which is commonly used to treat this disease, under modeled microgravity conditions (MMG), the increase being controlled by the stress response master regulator, ss. While the wild type bacterium becomes virtually invincible under MMG, the strain missing this sigma factor barely survives. We report here preparatory ground work for testing this finding in space flight on a nanosatellite. We have shown that the effect of Gm treatment on culture viability is directly correlated to increased Alamar Blue (AB) reduction; we have identified conditions to keep the experimental elements - the bacterial cultures, Gm, and AB - in a state of viability and potency to permit successful spaceflight experimentation given the necessary constraints. Spaceflight kinetics of AB reduction will be transmitted from the satellite via telemetry. The PharmaSat hardware previously used for space experimentation with yeast was modified to permit studies with bacteria by reducing the filter pore size and increasing fluidics volume to enable more fluid exchanges. Several verification tests have been run using the nanosatellite's flight software and prototype hardware. Cells were grown to stationary phase to induce the ss-controlled stress resistance and treated with Gm. Without Gm, the mutant took longer than the wild type to reduce the AB; this time difference increased almost 8 fold at 55 µg/mL Gm concentration. Thus, using flight hardware the mutant shows similarly increased sensitivity to Gm compared to the wild type to that found in our pilot microtiter plate experiments. Previous inflight experiments have given contradictory results concerning bacterial antibiotic resistance; none has yet explored the involvement of specific genes in this

  18. Using Optimal Control to Disambiguate the Effect of Depression on Sensorimotor, Motivational and Goal-Setting Functions.

    Directory of Open Access Journals (Sweden)

    He Huang

    Full Text Available Differentiating the ability from the motivation to act is of central importance to psychiatric disorders in general and depression in particular. However, it has been difficult to develop quantitative approaches to relate depression to poor motor performance in goal-directed tasks. Here, we use an inverse optimal control approach to provide a computational framework that can be used to infer and factorize performance deficits into three components: sensorimotor speed, goal setting and motivation. Using a novel computer-simulated driving experiment, we found that (1 severity of depression is associated with both altered sensorimotor speed and motivational function; (2 moderately to severely depressed individuals show an increased distance from the stop sign indicating aversive learning affecting goal setting functions. Taken together, the inverse optimal control framework can disambiguate on an individual basis the sensorimotor from the motivational dysfunctions in depression, which may help to develop more precisely targeted interventions.

  19. Acute effects of antagonist static stretching in the inter-set rest period on repetition performance and muscle activation.

    Science.gov (United States)

    Miranda, Humberto; Maia, Marianna de Freitas; Paz, Gabriel Andrade; Costa, Pablo B

    2015-01-01

    The purpose of this study was to investigate the effects of antagonist passive static stretching (AS) during the inter-set rest period on repetition performance and muscle activation. Ten trained men (22.4 ± 0.9 years) participated in this study. Two protocols were adopted: Passive recovery (PR)--three sets to repetition failure were performed for the seated row (SR) with two-minute rest interval between sets without pre-exercise stretching; AS--forty seconds of stretching was applied to pectoralis major prior to each set of SR. Significant increases in the number of repetitions were noted under AS compared with PR (p muscle activity were noted inter-sets under the AS compared with the PR condition. Therefore, the AS adopted during the inter-set rest period may enhance repetition performance and activation of agonist muscles in an acute manner.

  20. Effectiveness of Teamwork in an Integrated Care Setting for Patients with COPD: Development and Testing of a Self-Evaluation Instrument for Interprofessional Teams

    Directory of Open Access Journals (Sweden)

    Anneke N Van Dijk-de Vries

    2016-04-01

    Full Text Available Introduction: Teamwork between healthcare providers is conditional for the delivery of integrated care. This study aimed to assess the usefulness of the conceptual framework Integrated Team Effectiveness Model for developing and testing of the Integrated Team Effectiveness Instrument. Theory and methods: Focus groups with healthcare providers in an integrated care setting for people with chronic obstructive pulmonary disease (COPD were conducted to examine the recognisability of the conceptual framework and to explore critical success factors for collaborative COPD practice out of this framework. The resulting items were transposed into a pilot instrument. This was reviewed by expert opinion and completed 153 times by healthcare providers. The underlying structure and internal consistency of the instrument were verified by factor analysis and Cronbach’s alpha. Results: The conceptual framework turned out to be comprehensible for discussing teamwork effectiveness. The pilot instrument measures 25 relevant aspects of teamwork in integrated COPD care. Factor analysis suggested three reliable components: teamwork effectiveness, team processes and team psychosocial traits (Cronbach’s alpha between 0.76 and 0.81. Conclusions and discussion: The conceptual framework Integrated Team Effectiveness Model is relevant in developing a practical full-spectrum instrument to facilitate discussing teamwork effectiveness. The Integrated Team Effectiveness Instrument provides a well-founded basis to self-evaluate teamwork effectiveness in integrated COPD care by healthcare providers. Recommendations are provided for the improvement of the instrument.

  1. Effectiveness of Teamwork in an Integrated Care Setting for Patients with COPD: Development and Testing of a Self-Evaluation Instrument for Interprofessional Teams.

    Science.gov (United States)

    Van Dijk-de Vries, Anneke N; Duimel-Peeters, Inge G P; Muris, Jean W; Wesseling, Geertjan J; Beusmans, George H M I; Vrijhoef, Hubertus J M

    2016-04-08

    Teamwork between healthcare providers is conditional for the delivery of integrated care. This study aimed to assess the usefulness of the conceptual framework Integrated Team Effectiveness Model for developing and testing of the Integrated Team Effectiveness Instrument. Focus groups with healthcare providers in an integrated care setting for people with chronic obstructive pulmonary disease (COPD) were conducted to examine the recognisability of the conceptual framework and to explore critical success factors for collaborative COPD practice out of this framework. The resulting items were transposed into a pilot instrument. This was reviewed by expert opinion and completed 153 times by healthcare providers. The underlying structure and internal consistency of the instrument were verified by factor analysis and Cronbach's alpha. The conceptual framework turned out to be comprehensible for discussing teamwork effectiveness. The pilot instrument measures 25 relevant aspects of teamwork in integrated COPD care. Factor analysis suggested three reliable components: teamwork effectiveness, team processes and team psychosocial traits (Cronbach's alpha between 0.76 and 0.81). The conceptual framework Integrated Team Effectiveness Model is relevant in developing a practical full-spectrum instrument to facilitate discussing teamwork effectiveness. The Integrated Team Effectiveness Instrument provides a well-founded basis to self-evaluate teamwork effectiveness in integrated COPD care by healthcare providers. Recommendations are provided for the improvement of the instrument.

  2. Safety Basis Report

    International Nuclear Information System (INIS)

    R.J. Garrett

    2002-01-01

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities

  3. Safety Basis Report

    Energy Technology Data Exchange (ETDEWEB)

    R.J. Garrett

    2002-01-14

    As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.

  4. Effects of a physical activity programme in the school setting on physical fitness in preschool children.

    Science.gov (United States)

    Latorre-Román, P A; Mora-López, D; García-Pinillos, F

    2018-05-01

    The purpose of this study was to examine the effects of a 10-week aerobic games programme on physical fitness. One hundred eleven children, aged 3 to 6 years, participated in this study; 60 children were male (age: 4.28 ± 0.61 years old), and 51 were female (age 4.59 ± 0.49 years old). Participants were randomly assigned to an experimental group (EG; n = 56) and a control group (CG; n = 55). A fitness test battery previously validated for preschoolers was used. The children in the EG performed 3 weekly training sessions of physical activity in a classroom during a 10-week period. Every EG session lasted about 30 min. There were no significant differences in any variable in the pretest between groups. In the posttest, the EG achieved better results in horizontal jump and sprint. In relation to posttest-pretest differences, the EG showed a greater increase in horizontal jump, sprint, and endurance. An aerobic games programme in the school setting improved physical fitness in preschool children. © 2018 John Wiley & Sons Ltd.

  5. Resident Documentation of Social Determinants of Health: Effects of a Teaching Tool in the Outpatient Setting.

    Science.gov (United States)

    Patel, Milani; Bathory, Eleanor; Scholnick, Jenna; White-Davis, Tanya; Choi, Jaeun; Braganza, Sandra

    2018-04-01

    Social determinants of health (SDH) significantly affect the health of children and thus, screening is important in pediatric primary care. We assessed the use of a formal social history taking tool after a 2-phase intervention. The first phase (P1) was a teaching module describing SDH and community resources and the second phase (P2) consisted of visual reminders to use the tool. Patient charts (n = 322) were reviewed pre- and postintervention. Residents had higher documentation rates of Women, Infants, and Children (WIC) program use and housing subsidies at post-P1 and at post-P(1 + 2) (WIC, P = .01 and P = .03, respectively; housing, P = .02 and P = .04, respectively), and higher documentation rates of food stamp utilization at post-P(1 + 2) ( P = .04), as compared with baseline. Implementation of a simple teaching tool in the outpatient setting enabled residents to document income benefits and housing. Further studies should be done to evaluate effective teaching methods to elicit other important SDH.

  6. Blended Learning versus Traditional Classroom Settings: Assessing Effectiveness and Student Perceptions in an MBA Accounting Course

    Directory of Open Access Journals (Sweden)

    Clement C. Chen, Ph.D., CPA.

    2007-07-01

    Full Text Available A survey was conducted of Master of Business Administration (MBA students in an accounting class at a university in the Northern United States to compare students’ assessments of course effectiveness and overall satisfaction with the course. One group of students were enrolled in a traditional in-class section, and another group in a “blended-learning” section in which the primary course delivery method was online, but in which students met in class on a limited number of occasions. Overall perceptions of the course, instructor and learning outcomes were positive for both groups. Students also felt strongly that they would use the material in their careers. The majority of students in the blended learning section indicated that they would take another accounting course using that approach if it were offered. However, some interesting differences were noted. Specifically, students in the traditional setting were more satisfied with the clarity of instruction. On the other hand, students in the blended-learning section felt more strongly that they gained an appreciation of the concepts in the field. Blended-learning students also indicated more strongly that their analytical skills improved as a result of the course. The results suggest that the two delivery methods were similar in terms of final learning outcomes, but that both may be improved by incorporating aspects of the other.

  7. The effectiveness of nurse-delivered aromatherapy in an acute care setting.

    Science.gov (United States)

    Johnson, Jill R; Rivard, Rachael L; Griffin, Kristen H; Kolste, Alison K; Joswiak, Denise; Kinney, Mary Ellen; Dusek, Jeffery A

    2016-04-01

    To examine the use and effectiveness of essential oil therapeutic interventions on pain, nausea, and anxiety, when provided by nurses to patients in acute hospital settings across a large health system. This study expands upon the limited body of literature on aromatherapy use among inpatients. Retrospective, effectiveness study using data obtained from electronic health records. Ten Allina Health hospitals located in Minnesota and western Wisconsin. Nurse-delivered aromatherapy. Change in patient-reported pain, anxiety, and nausea, rated before and after receiving aromatherapy using a numeric rating scale (0-10). There were 10,262 hospital admissions during the study time frame in which nurse-delivered aromatherapy was part of patient care. The majority of admissions receiving aromatherapy were females (81.71%) and white (87.32%). Over 75% of all aromatherapy sessions were administered via inhalation. Lavender had the highest absolute frequency (49.5%) of use regardless of mode of administration, followed by ginger (21.2%), sweet marjoram (12.3%), mandarin (9.4%), and combination oils (7.6%). Sweet marjoram resulted in the largest single oil average pain change at -3.31 units (95% CI: -4.28, -2.33), while lavender and sweet marjoram had equivalent average anxiety changes at -2.73 units, and ginger had the largest single oil average change in nausea at -2.02 units (95% CI: -2.55, -1.49). Essential oils generally resulted in significant clinical improvements based on their intended use, although each oil also showed ancillary benefits for other symptoms. Future research should explore use of additional essential oils, modes of administration, and different patient populations. Copyright © 2016. Published by Elsevier Ltd.

  8. A Quasi-Experimental Study of the Effects of Teacher Training on Attitudes towards Inclusion Settings

    Science.gov (United States)

    Woodward, Jillian

    2017-01-01

    Least restrictive environment (LRE) is defined as teaching children with disabilities alongside non-disabled children; these children have not been identified as students with disabilities. An inclusion setting is the integration of students with disabilities in the general education setting to provide the least restrictive environment. Inclusion…

  9. How Good Is Good Enough? Educational Standard Setting and Its Effect on African American Test Takers

    Science.gov (United States)

    Caines, Jade; Engelhard, George, Jr.

    2012-01-01

    Standard setting (the process of establishing minimum passing scores on high-stakes exams) is a highly evaluative and policy-driven process. It is a common belief that standard setting panels should be diverse and representative. There is concern, however, that panelists with varying characteristics may differentially influence the results of the…

  10. Effects of setting eggs small end up on hatchability and posthatching performance of broilers.

    Science.gov (United States)

    Bauer, F; Tullett, S G; Wilson, H R

    1990-12-01

    1. Hatchability of fertile eggs incubated with their small ends up (SEU) was 16 to 27% lower than for eggs set with their large ends up (LEU). In addition, the SEU position produced more nonviable chicks. 2. There were no differences in post-hatching performance between the two incubation treatments. 3. A survey in a commercial hatchery revealed that the frequencies of eggs set upside down by mistake varied from 0.3% to 3.4%. The setting of eggs upside down was attributed not to difficulties in distinguishing the large and small ends of the eggs but to human error. A decrease in the number of Grade-A chicks of about 0.2% was observed for every 1% of eggs set upside down, suggesting it may be of economic importance to ensure that the eggs are set properly with their large ends up.

  11. Authorization basis requirements comparison report

    International Nuclear Information System (INIS)

    Brantley, W.M.

    1997-01-01

    The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation

  12. Authorization basis requirements comparison report

    Energy Technology Data Exchange (ETDEWEB)

    Brantley, W.M.

    1997-08-18

    The TWRS Authorization Basis (AB) consists of a set of documents identified by TWRS management with the concurrence of DOE-RL. Upon implementation of the TWRS Basis for Interim Operation (BIO) and Technical Safety Requirements (TSRs), the AB list will be revised to include the BIO and TSRs. Some documents that currently form part of the AB will be removed from the list. This SD identifies each - requirement from those documents, and recommends a disposition for each to ensure that necessary requirements are retained when the AB is revised to incorporate the BIO and TSRs. This SD also identifies documents that will remain part of the AB after the BIO and TSRs are implemented. This document does not change the AB, but provides guidance for the preparation of change documentation.

  13. Probing community nurses' professional basis

    DEFF Research Database (Denmark)

    Schaarup, Clara; Pape-Haugaard, Louise; Jensen, Merete Hartun

    2017-01-01

    Complicated and long-lasting wound care of diabetic foot ulcers are moving from specialists in wound care at hospitals towards community nurses without specialist diabetic foot ulcer wound care knowledge. The aim of the study is to elucidate community nurses' professional basis for treating...... diabetic foot ulcers. A situational case study design was adopted in an archetypical Danish community nursing setting. Experience is a crucial component in the community nurses' professional basis for treating diabetic foot ulcers. Peer-to-peer training is the prevailing way to learn about diabetic foot...... ulcer, however, this contributes to the risk of low evidence-based practice. Finally, a frequent behaviour among the community nurses is to consult colleagues before treating the diabetic foot ulcers....

  14. Reversed better-than-average effect in direct comparisons of nonsocial stimuli depends on the set size.

    Science.gov (United States)

    Niewiarowski, Jakub; Karyłowski, Jerzy J; Szutkiewicz-Szekalska, Karolina; Cypryańska, Marzena

    2014-05-01

    Studies on direct comparative judgments typically show that, for items that are positively evaluated, a single item randomly drawn from a larger set of similar items tends to be judged as better than average (the BTA effect). However, Windschitl, Conybeare, and Krizan (2008) demonstrated that, under timing conditions that do not favor focusing attention on the single item, the reversal of the BTA effect occurs. We report two experiments showing that the magnitude of the reversed BTA effect increases as a function of the size of a multiitem referent with which a single item target is compared. Specifically, in direct comparative judgments of the attractiveness of positively evaluated objects (nice-looking cloth buttons, attractive buildings, or cupcakes), underestimation of the attractiveness of singletons, as compared with a multiitem set (reversed BTA effect), increased with the increased set size. Analysis of absolute judgments obtained for singletons and for small and large multiitem sets suggests that, for attractive stimuli, both the reversed BTA effect in comparative judgments and its sensitivity to set size occur as a result of a positive relationship between set size and perceived attractiveness in absolute judgments.

  15. Effects of single- vs. multiple-set resistance training on maximum strength and body composition in trained postmenopausal women.

    Science.gov (United States)

    Kemmler, Wolfgang K; Lauber, Dirk; Engelke, Klaus; Weineck, Juergen

    2004-11-01

    The purpose of this study was to examine the effect of a single- vs. a multiple-set resistance training protocol in well-trained early postmenopausal women. Subjects (N = 71) were randomly assigned to begin either with 12 weeks of the single-set or 12 weeks of the multiple-set protocol. After another 5 weeks of regenerational resistance training, the subgroup performing the single-set protocol during the first 12 weeks crossed over to the 12-week multiple-set protocol and vice versa. Neither exercise type nor exercise intensity, degree of fatigue, rest periods, speed of movement, training sessions per week, compliance and attendance, or periodization strategy differed between exercise protocols. Body mass, body composition, and 1 repetition maximum (1RM) values for leg press, bench press, rowing, and leg adduction were measured at baseline and after each period. Multiple-set training resulted in significant increases (3.5-5.5%) for all 4 strength measurements, whereas single-set training resulted in significant decreases (-1.1 to -2.0%). Body mass and body composition did not change during the study. The results show that, in pretrained subjects, multiple-set protocols are superior to single-set protocols in increasing maximum strength.

  16. Effect of set up time on sublethal repair in multifield fractionated radiotherapy

    International Nuclear Information System (INIS)

    Kehwar, T.S.; Beriwal, Sushil; Sharma, S.C.

    1998-01-01

    The sublethal repair between two doses given with a variable time interval for mammalian cells in tissue culture was first demonstrated successfully by Elkind and Sutton. Subsequently on the basis of concept of sublethal damage repair between fractions, the radio therapists and radio biologists realized that dose can be increased by increasing the small size fractions. This concept is successfully being used in modern radiotherapy

  17. An Index to Measure Effects of a Declining Area of Set-aside Land on Habitat-connectivity in Denmark

    DEFF Research Database (Denmark)

    Levin, Gregor

    2009-01-01

    % in 2008. The main argument against regulations of the re-cultivation of set-aside land with the aim to minimize declines in habitat-connectivity was that re-cultivation would primarily occur on highly productive land at a long distance from habitats, while set-aside land located on marginal land, close...... to natural habitats, would typically not be re-cultivated. I developed an indicator aiming to measure the effect of the reduced area of set-aside land on habitat-connectivity. For a raster-map with a resolution of 25x25 meters, the indicator combines the distance to habitats with the area percentage of set......-aside land. The indicator is scaled from 0-100, where 100 indicates the largest positive effect on habitat connectivity, while 0 indicates no effect. Analyses show that the halving of the area of set-aside land has led to 50% reduction of the effect of set-aside land on habitat connectivity. This indicates...

  18. Integrating hypermedia into the environmental education setting: Developing a program and evaluating its effect

    Science.gov (United States)

    Parker, Tehri Davenport

    1997-09-01

    This study designed, implemented, and evaluated an environmental education hypermedia program for use in a residential environmental education facility. The purpose of the study was to ascertain whether a hypermedia program could increase student knowledge and positive attitudes toward the environment and environmental education. A student/computer interface, based on the theory of social cognition, was developed to direct student interactions with the computer. A quasi-experimental research design was used. Students were randomly assigned to either the experimental or control group. The experimental group used the hypermedia program to learn about the topic of energy. The control group received the same conceptual information from a teacher/naturalist. An Environmental Awareness Quiz was administered to measure differences in the students' cognitive understanding of energy issues. Students participated in one on one interviews to discuss their attitudes toward the lesson and the overall environmental education experience. Additionally, members of the experimental group were tape recorded while they used the hypermedia program. These tapes were analyzed to identify aspects of the hypermedia program that promoted student learning. The findings of this study suggest that computers, and hypermedia programs, can be integrated into residential environmental education facilities, and can assist environmental educators in meeting their goals for students. The study found that the hypermedia program was as effective as the teacher/naturalist for teaching about environmental education material. Students who used the computer reported more positive attitudes toward the lesson on energy, and thought that they had learned more than the control group. Students in the control group stated that they did not learn as much as the computer group. The majority of students had positive attitudes toward the inclusion of computers in the camp setting, and stated that they were a good

  19. Physical properties and biological/odontogenic effects of an experimentally developed fast-setting α-tricalcium phosphate-based pulp capping material.

    Science.gov (United States)

    Lee, Jun-Bong; Park, Su-Jung; Kim, Hyun-Ha; Kwon, Young-Sun; Lee, Kwang-Won; Min, Kyung-San

    2014-07-11

    Recently, fast-setting α-tricalcium-phosphate (TCP) cement was developed for use in the pulp capping process. The aim of this study was to investigate the physical properties and biological effects of α-TCP cement in comparison with mineral trioxide aggregate (MTA). We measured the setting time, pH values, compressive strength, and solubility of the two materials. We evaluated biocompatibility on the basis of cell morphology and a viability test using human dental pulp cells (hDPCs). Chemical composition of each material was analyzed by energy dispersive x-ray spectroscopic (EDS) analysis. The expression of odontogenic-related genes was evaluated by Western blotting and immunofluorescence. The calcified nodule formation was measured by Alizarin red staining. We performed the pulp capping procedure on rat teeth for histological investigation. The data were analyzed by an independent t-test for physical properties, one-way ANOVA for biological effects, and the Mann-Whitney U test for tertiary dentin formation. A P value of less than 0.05 was considered statistically significant for all tests. The setting time, pH values, and compressive strength of α-TCP was lower than that of MTA (P  0.05). Scanning electron microscopy (SEM) revealed that cells attached to both materials were flat and had cytoplasmic extensions. The expression of odontogenic-related markers and mineralized nodule formation were higher in the two experimental groups compared to the control group (P < 0.05). Continuous tertiary dentin was formed underneath the capping materials in all samples of the tested groups. Our study demonstrated that the α-TCP exhibited biocompatibility and odontogenicity comparable to MTA, whereas it had a quicker setting time.

  20. Effects of incivility in clinical practice settings on nursing student burnout.

    Science.gov (United States)

    Babenko-Mould, Yolanda; Laschinger, Heather K S

    2014-10-31

    To examine the relationship between nursing students' exposure to various forms of incivility in acute care practice settings and their experience of burnout. Given that staff nurses and new nurse graduates are experiencing incivility and burnout in the workplace, it is plausible that nursing students share similar experiences in professional practice settings. A cross-sectional survey design was used to assess Year 4 nursing students' (n=126) perceptions of their experiences of incivility and burnout in the clinical learning environment. Students completed instruments to assess frequency of uncivil behaviors experienced during the past six months from nursing staff, clinical instructors, and other health professionals in the acute care practice setting and to measure student burnout. Reported incidences of incivility in the practice setting were related to burnout. Higher rates of incivility, particularly from staff nurses, were associated with higher levels of both components of burnout (emotional exhaustion and cynicism).

  1. Data sets for manuscript titled Unexpected benefits of reducing aerosol cooling effects

    Data.gov (United States)

    U.S. Environmental Protection Agency — These data sets were created using extensive model simulation results from the WRF-CMAQ model, population distributions, and through the use of an health impact...

  2. Exploring the effect of sound and music on health in hospital settings: A narrative review.

    Science.gov (United States)

    Iyendo, Timothy Onosahwo

    2016-11-01

    Sound in hospital space has traditionally been considered in negative terms as both intrusive and unwanted, and based mainly on sound levels. However, sound level is only one aspect of the soundscape. There is strong evidence that exploring the positive aspect of sound in a hospital context can evoke positive feelings in both patients and nurses. Music psychology studies have also shown that music intervention in health care can have a positive effect on patient's emotions and recuperating processes. In this way, hospital spaces have the potential to reduce anxiety and stress, and make patients feel comfortable and secure. This paper describes a review of the literature exploring sound perception and its effect on health care. This review sorted the literature and main issues into themes concerning sound in health care spaces; sound, stress and health; positive soundscape; psychological perspective of music and emotion; music as a complementary medicine for improving health care; contradicting arguments concerning the use of music in health care; and implications for clinical practice. Using Web of Science, PubMed, Scopus, ProQuest Central, MEDLINE, and Google, a literature search on sound levels, sound sources and the impression of a soundscape was conducted. The review focused on the role and use of music on health care in clinical environments. In addition, other pertinent related materials in shaping the understanding of the field were retrieved, scanned and added into this review. The result indicated that not all noises give a negative impression within healthcare soundscapes. Listening to soothing music was shown to reduce stress, blood pressure and post-operative trauma when compared to silence. Much of the sound conveys meaningful information that is positive for both patients and nurses, in terms of soft wind, bird twitter, and ocean sounds. Music perception was demonstrated to bring about positive change in patient-reported outcomes such as eliciting

  3. Investigating the Effectiveness of the Tutorials in Introductory Physics in Multiple Instructional Settings

    OpenAIRE

    Slezak, C.; Koenig, K. M.; Endorf, R. J.; Braun, G. A.

    2011-01-01

    This paper examines the educational impact of the implementation of the tutorial activity “Changes in Energy and Momentum” from The Tutorials in Introductory Physics in five different instructional settings. These settings include (1) a completely computer-based learning environment and (2) use of cooperative learning groups with varying levels of instructor support. Pre- and post-tests provide evidence that a computer-based implementation falls significantly short of classroom implementation...

  4. Effects of Eggshells Ash (ESA) on the Setting Time of Cement ...

    African Journals Online (AJOL)

    Cement-eggshells ash (CESA) paste was constituted using 0%, 0.1%, 0.5%, 1%, 1.5%, 2.0% and 2.5% of ESA by weight of cement. Setting time test was conducted on the CESA paste in accordance to BS 12:1991 n[1]. Results show that the addition of ESA to the ordinary Portland cement (OPC) decreases the setting time ...

  5. Effect of protective release coatings on the basis of superdispersersed zirconium oxide powder on the formation of gas defects in bronze casting

    Science.gov (United States)

    Martyushev, Nikita V.; Risto, Nikolay A.

    2014-10-01

    This paper investigates the use of nanopowders in the composition of foundry coatings when casting leaded tin bronzes. Influence of the composition of the applied protective coating on surface finish is studied. The effects of the coatings of the following compositions are compared: non-stick coating (a mixture of low-dispersed chromium oxide powder and heat-treated vegetable oil); non-stick lubricant ASPF-2/RgU on the basis of low- dispersed graphite powder and heat-treated vegetable oil; patent #2297300 (a mixture of superdispersed zirconium dioxide powder with industrial oil). It is demonstrated that application of foundry coatings containing superdispersed metal oxide powders with low thermal conductivity makes it possible to significantly reduce irregularities and eliminate gas porosity on the surface of tin-leaded bronze castings.

  6. Effect of citric acid on setting reaction and tissue response to β-TCP granular cement.

    Science.gov (United States)

    Fukuda, Naoyuki; Tsuru, Kanji; Mori, Yoshihide; Ishikawa, Kunio

    2017-02-24

    We recently reported that when an acidic calcium phosphate solution is mixed with β-tricalcium phosphate (β-TCP) granules, the resulting dicalcium phosphate dihydrate (DCPD) crystals form bridges between the β-TCP granules, creating a set interconnected porous structure in approximately 1 min. Although this self-setting β-TCP granular cement (β-TCPGC) is useful for clinical applications, the short setting time is a key drawback for handling. In this study, the setting time of β-TCPGC was adjusted with the addition of citric acid, which is a known inhibiter of DCPD crystal growth. As the concentration of citric acid in the acidic calcium phosphate solution increased, the amount of DCPD formation in the set β-TCPGC decreased, and the crystal morphology of DCPD became elongated. β-TCPGC prepared with various citric acid concentrations were used as grafting material in rat calvarial bone defects to evaluate bone regeneration in vivo. Four weeks after implantation, no inflammatory reaction and approximately 20% new bone formation were observed, regardless of the presence or absence of citric acid in the liquid phase of β-TCPGC. We concluded, therefore, that citric acid might be a useful retarder of β-TCPGC setting times.

  7. Effect of Set Potential on Hexavalent Chromium Reduction and Electricity Generation from Biocathode Microbial Fuel Cells

    KAUST Repository

    Huang, Liping

    2011-06-01

    Setting a biocathode potential at ?300 mV improved the subsequent performance of an MFC for Cr(VI) reduction compared to a control (no set potential). With this set potential, the startup time was reduced to 19 days, the reduction of Cr(VI) was improved to 19.7 mg/L d, and the maximum power density was increased to 6.4 W/m3 compared to the control (26 days, 14.0 mg/L d and 4.1 W/m3). Set potentials of ?150 mV and ?300 mV also improved system performance and led to similarly higher utilization of metabolic energy gained (PMEG) than set potentials of +200 mV and ?450 mV. We observed putative pili at ?150 and ?300 mV potentials, and aggregated precipitates on bacterial surfaces in both poised and nonpoised controls. These tests show that there are optimal potentials that can be set for developing a Cr(VI) biocathode. © 2011 American Chemical Society.

  8. Effects of Short-Term Set-Aside Management Practices on Soil Microorganism and Enzyme Activity in China.

    Science.gov (United States)

    Li, Guangyu; Wu, Cifang

    2017-08-14

    Set-aside farmland can effectively improve the self-rehabilitation of arable soil. Long-term set-asides however cannot satisfy provisionment, therefore the use of short-term set-asides to restore cultivated soil is a better option. Few studies have compared short-term set-aside patterns, and the effects of set-asides on soil microbial community and enzyme enzymes. We analyzed the bacterial structure, microbial biomass carbon/nitrogen and enzyme activity of farmland soil under different set-aside regimes in the Yellow River Delta of China. Bacterial alpha diversity was relatively lower under only irrigation, and farmyard manure applications showed clear advantages. Set-asides should consider their influence on soil organic carbon and nitrogen, which were correlated with microbial community structure. Nitrospira (0.47-1.67%), Acidobacteria Gp6 (8.26-15.91%) and unclassified Burkholderiales (1.50-2.81%) were significantly altered ( p management practices guided soil microbial communities to different states. Integrated soil microbiota and the content of carbon and nitrogen, native plants with farmyard manure showed an equilibrium state relatively, which would be helpful to improve land quality in the short-term.

  9. The Effect of Goal Setting Difficulty on Serving Success in Table Tennis and the Mediating Mechanism of Self-regulation

    OpenAIRE

    Liu, Weina; Zhou, Chenglin; Ji, Liu; Watson, Jack C

    2012-01-01

    Goal setting difficulty has been shown to contribute to athletic performance (Burton et al., 2000). However, the potential mediating mechanism of goal difficulty on performance is unclear. Therefore, the purpose of this study was to verify the effect of goal setting difficulty on serving success in table tennis, and determine if self-regulation is the mediating variable. The current study used serving success within a one minute period as the task, and the ?Athlete?s Self-regulation in Motor ...

  10. Effect of additives on the compressive strength and setting time of a Portland cement

    Directory of Open Access Journals (Sweden)

    Desirée Freitas Mryczka Machado

    2010-06-01

    Full Text Available Improvements in strength and setting time of Portland cements (PC are needed to enhance their performance as endodontic and load bearing materials. This study sought to enhance the compressive strength and setting time of a PC by adding one of the following additives: 20% and 30% poly-methylmethacrylate (PMMA, 20% and 30% irregular and spherical amalgam alloys, and 10% CaCl2. The control consisted of unreinforced PC specimens. Setting time was determined using a Gillmore apparatus according to standardized methods while compressive strength was measured using a universal testing machine after 21 hours or 60 days of water storage. Data were analyzed by ANOVA, Tukey and Games-Howell tests (α = 5%. All additives significantly decreased both initial and final setting times as compared with the PC-control (p < .05. 30% PMMA and 30% irregular alloy had the lowest values of initial setting time. 30% irregular alloy also produced the lowest values of final setting time while 30% spherical alloy yielded the highest (p < .05. No differences were detected between the compressive strength values of 21 hours and 60 days. While 10% CaCl2, 20% and 30% PMMA produced values significantly lower than the PC-control, 30% spherical alloy significantly improved the compressive strength of the reinforced PC (p < .05. In summary, all additives significantly reduced the setting time and 30% spherical amalgam alloy yielded a significant increase in compressive strength for the tested PC, which might represent an improved composition for PCs to expand their use as endodontic and potentially load bearing materials.

  11. Effectiveness of traditional bone setting in treating chronic low back pain: a randomised pilot trial.

    Science.gov (United States)

    Zaproudina, N; Hietikko, T; Hänninen, O O P; Airaksinen, O

    2009-01-01

    The aim of this trial was to establish the effectiveness of traditional bone setting (TBS) compared with conventional physical and exercise therapy (PhT) in treating chronic low back pain (cLBP). Randomised clinical trial. Working-aged cLBP patients (n=131, age range 29-51 years) were randomised into two treatment groups: TBS and PhT. Follow-up assessments took place 1, 6 and 12 months after treatment. TBS is a popular traditional manual mobilisation therapy for musculoskeletal disorders in Finland. Conventional PhT was used as the reference treatment. LBP intensity (Visual Analog Scale 0-100, VAS), the Oswestry Disability Index (ODI), the global assessment score (scale -1 to +10), a health-related quality of life (HRQoL) assessment and spine mobility measurements were used as measures. 118 patients (95.9%, 59 men and 59 women) completed the treatment program. Both treatments reduced the VAS and ODI levels after 1 month. Changes in VAS did not differ between the two treatment groups (mean -0.2, CI -11.3 to 10.9). The improvement in ODI (mean 2.4, CI -1.2 to 6.0, p=0.069, repeated measurements ANOVA) and quality of life scores (mean -0.03, CI -0.06 to 0, p=0.056) tended to be greater after TBS. Additionally, global assessment scores were better for TBS-treated patients (Mann-Whitney test, p=0.001). There were no differences between the spine mobility test results of the two groups. Changes in both VAS (mean -2.4, CI -15.5 to 10.6) and ODI (mean 1.0, CI -3.0 to 5.1) measures did not, however, differ between the groups at the 1-year follow-up stage. Most cLBP patients found the treatments to be beneficial. Although the long-term dynamics of pain and disability did not differ between the groups, the subjective benefits appeared to be more significant after TBS.

  12. An effective modification to simplify the right atrial lesion set of the Cox-cryomaze.

    Science.gov (United States)

    Cheema, Faisal H; Younus, Muhammad J; Pasha, Arham; Cox, James L; Roberts, Harold G

    2013-07-01

    Reluctance to perform biatrial Cox-cryomaze is primarily to avoid the vexation of creating a right-atrial-lesion (RAL) set of Cox-Maze-III. An alternative pattern of RAL set includes (i) a horizontal atriotomy, continued medially as a linear cryolesion across the posterior tricuspid annulus, (ii) a cavocaval lesion, and (iii) a lateral cryolesion from the midportion of the atriotomy to the tip of the right atrial appendage (RAA). This latter lesion is a substitute for a cryolesion that, in past, was directed medially by a stab wound in the tip of the RAA to the anterior tricuspid annulus. Use of the simplified RAL set, therefore, allows for more deftly achieving a complete biatrial Cox-cryomaze. Copyright © 2013 The Society of Thoracic Surgeons. Published by Elsevier Inc. All rights reserved.

  13. Refining Sunrise/set Prediction Models by Accounting for the Effects of Refraction

    Science.gov (United States)

    Wilson, Teresa; Bartlett, Jennifer L.

    2016-01-01

    Current atmospheric models used to predict the times of sunrise and sunset have an error of one to four minutes at mid-latitudes (0° - 55° N/S). At higher latitudes, slight changes in refraction may cause significant discrepancies, including determining even whether the Sun appears to rise or set. While different components of refraction are known, how they affect predictions of sunrise/set has not yet been quantified. A better understanding of the contributions from temperature profile, pressure, humidity, and aerosols, could significantly improve the standard prediction. Because sunrise/set times and meteorological data from multiple locations will be necessary for a thorough investigation of the problem, we will collect this data using smartphones as part of a citizen science project. This analysis will lead to more complete models that will provide more accurate times for navigators and outdoorsman alike.

  14. Field-effect transistor structures on the basis of poly(3-hexylthiophene), fullerene derivatives [60]PCBM, [70]PCBM, and nickel nanoparticles

    Science.gov (United States)

    Aleshin, A. N.; Shcherbakov, I. P.; Trapeznikova, I. N.; Petrov, V. N.

    2016-09-01

    Organic field-effect transistor (OFET) structures with the active layers on the basis of composite films of semiconductor polymer poly(3-hexylthiophene) (P3HT), fullerene derivatives [60]PCBM, [70]PCBM, and nickel (Ni) nanoparticles are obtained, and their optical, electrical, and photoelectrical properties are studied. It is shown that introducing Ni nanoparticles into P3HT: [60]PCBM and P3HT: [70]PCBM films leads to an increase in the absorption and to quenching of photoluminescence of the composite in the 400-600 nm spectral band due to the plasmon effect. In P3HT: [60]PCBM: Ni and P3HT: [70]PCBM: Ni OFET structures at the P3HT: [60]PCBM and P3HT: [70]PCBM concentrations of ~1: 1 and Ni concentrations of ~3-5 wt %, current-voltage ( I-V) characteristics typical of ambipolar OFETs with the dominant hole conduction are observed. The charge-carrier (hole) mobilities calculated from the I-V characteristic at V G =-10 V were found to be ~0.46 cm2/(V s) for P3HT: [60]PCBM: Ni and ~4.7 cm2/(V s) for P3HT: [70]PCBM: Ni, which means that the mobility increases if [60]PCBM in the composition is replaced with [70]PCBM. The effect of light on the I-V characteristics of P3HT: [60]PCBM: Ni and P3HT: [70]PCBM: Ni OFETs is studied.

  15. Constructing safety: system designs, system effects, and the play of heterogeneous interests in a behavioral health care setting.

    Science.gov (United States)

    Ramiller, Neil C

    2007-06-01

    This paper considers the utility of actor-network theory as a basis for uncovering the mutual interdependencies between system design and system impact in an evolving project, and for exploring the implications that these interdependencies hold for the production of safety in behavioral health care. Drawing on a field study of a systems project in a human-services firm, the paper applies key concepts from actor-network theory in the analysis of a design crisis that emerged during the course of the project. Actor-network theory provides a compelling framework in this situation for identifying the diverse interests involved, revealing their complex interactions, and illuminating the importance of the emerging system as an organizational actor in its own right. Actor-network theory shows promise for use in other analyses concerned with the role of information technology in the construction of safety in health care settings.

  16. From BASIS to MIRACLES

    DEFF Research Database (Denmark)

    Tsapatsaris, Nikolaos; Willendrup, Peter Kjær; E. Lechner, Ruep

    2015-01-01

    Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count...... are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source....

  17. The Effect of Preparatory Set on Musical Response in College Students.

    Science.gov (United States)

    Bartel, Lee R.

    1992-01-01

    Presents study results on the cognitive-affective response to music as affected by three dimensions of preparatory set. Explores self-perception of musicality, attitude toward style concepts and valuing of music experiences, and beliefs and expectations of music listening. Concludes that perception of musicality, general attitude, style…

  18. The Categorical Facilitation Effects on L2 Vocabulary Learning in a Classroom Setting

    Science.gov (United States)

    Hoshino, Yuko

    2010-01-01

    In the field of vocabulary acquisition, there have been many studies on the efficacy of word lists. However, very few of these were based on research in a classroom setting, and therefore, their results may not be applicable to standard classroom situations. This study investigated which of the five types of word lists (synonyms, antonyms,…

  19. The Differential Effects of Forms and Settings of Exposure to Violence on Adolescents' Adjustment

    Science.gov (United States)

    Ho, Man Yee; Cheung, Fanny M.

    2010-01-01

    This study investigated the link between exposure to violence and psychosocial adjustment for 442 Chinese secondary school students in Form 1-3. The students completed an inventory assessing exposure to violence through witnessing and through direct victimization in different settings (community, school, and home). Multiple measures and informants…

  20. Effect of workload setting on propulsion technique in handrim wheelchair propulsion

    NARCIS (Netherlands)

    van Drongelen, S.V.; Arnet, U.; Veeger, H.E.J.; van der Woude, L.H.V.

    2013-01-01

    Objective: To investigate the influence of workload setting (speed at constant power, method to impose power) on the propulsion technique (i.e. force and timing characteristics) in handrim wheelchair propulsion. Method: Twelve able-bodied men participated in this study. External forces were measured

  1. Effect of workload setting on propulsion technique in handrim wheelchair propulsion

    NARCIS (Netherlands)

    van Drongelen, Stefan; Arnet, Ursina; Veeger, DirkJan (H E. J); van der Woude, Lucas H. V.

    Objective: To investigate the influence of workload setting (speed at constant power, method to impose power) on the propulsion technique (i.e. force and timing characteristics) in handrim wheelchair propulsion. Method: Twelve able-bodied men participated in this study. External forces were measured

  2. The effective application of contingency theory in health settings: problems and recommended solutions.

    Science.gov (United States)

    Strasser, S

    1983-01-01

    Contingency theory as a managerial perspective is conceptually elegant, but it may cause a number of unforeseen problems when applied in real work settings. Health care administrators can avoid many of these problems by using a hybrid contingency theory framework that blends the manager's own perceptions and experience with established contingency models.

  3. Effective Schooling in Desegregated Settings: What Do We Know About Learning Style and Linguistic Differences?

    Science.gov (United States)

    Hare, Bruce R.; Levine, Daniel U.

    1985-01-01

    Argues that mismatches between home and classroom environments play an important part in accounting for the low academic performance of many low-status, especially minority, students. Discusses approaches emphasizing cooperative learning and individualized instruction for use with culturally different students in desegregated settings. (RDN)

  4. How to set up an effective national primary angioplasty network: lessons learned from five European countries

    DEFF Research Database (Denmark)

    Knot, Jiri; Widimsky, Petr; Wijns, William

    2009-01-01

    AIMS: Percutaneous coronary interventions (PCI) are used to treat acute and chronic forms of coronary artery disease. While in chronic forms the main goal of PCI is to improve the quality of life, in acute coronary syndromes (ACS) timely PCI is a life-saving procedure - especially in the setting ...

  5. Price setting in transition: the effect of takeover on a petroleum firm

    Czech Academy of Sciences Publication Activity Database

    Valachy, Juraj

    2002-01-01

    Roč. 2002, č. 197 (2002), s. 1-24 ISSN 1211-3298 R&D Projects: GA AV ČR KSK9058117 Institutional research plan: CEZ:AV0Z7085904 Keywords : ownership structure * price setting * crude oil Subject RIV: AH - Economics

  6. Management of plant communities on set-aside land and its effects on earthworm communities

    NARCIS (Netherlands)

    Gormsen, D.; Hedlund, K.; Korthals, G.W.; Mortimer, S.R.; Pizl, V.; Smilauerova, M.; Sugg, E.

    2004-01-01

    Plant communities of set-aside agricultural land in a European project were managed in order to enhance plant succession towards weed-resistant, mid-successional grassland. Here, we ask if the management of a plant community affects the earthworm community. Field experiments were established in four

  7. Investigating the effect of paralogs on microarray gene-set analysis

    Directory of Open Access Journals (Sweden)

    Seoighe Cathal

    2011-01-01

    Full Text Available Abstract Background In order to interpret the results obtained from a microarray experiment, researchers often shift focus from analysis of individual differentially expressed genes to analyses of sets of genes. These gene-set analysis (GSA methods use previously accumulated biological knowledge to group genes into sets and then aim to rank these gene sets in a way that reflects their relative importance in the experimental situation in question. We suspect that the presence of paralogs affects the ability of GSA methods to accurately identify the most important sets of genes for subsequent research. Results We show that paralogs, which typically have high sequence identity and similar molecular functions, also exhibit high correlation in their expression patterns. We investigate this correlation as a potential confounding factor common to current GSA methods using Indygene http://www.cbio.uct.ac.za/indygene, a web tool that reduces a supplied list of genes so that it includes no pairwise paralogy relationships above a specified sequence similarity threshold. We use the tool to reanalyse previously published microarray datasets and determine the potential utility of accounting for the presence of paralogs. Conclusions The Indygene tool efficiently removes paralogy relationships from a given dataset and we found that such a reduction, performed prior to GSA, has the ability to generate significantly different results that often represent novel and plausible biological hypotheses. This was demonstrated for three different GSA approaches when applied to the reanalysis of previously published microarray datasets and suggests that the redundancy and non-independence of paralogs is an important consideration when dealing with GSA methodologies.

  8. Investigating the effect of paralogs on microarray gene-set analysis

    LENUS (Irish Health Repository)

    Faure, Andre J

    2011-01-24

    Abstract Background In order to interpret the results obtained from a microarray experiment, researchers often shift focus from analysis of individual differentially expressed genes to analyses of sets of genes. These gene-set analysis (GSA) methods use previously accumulated biological knowledge to group genes into sets and then aim to rank these gene sets in a way that reflects their relative importance in the experimental situation in question. We suspect that the presence of paralogs affects the ability of GSA methods to accurately identify the most important sets of genes for subsequent research. Results We show that paralogs, which typically have high sequence identity and similar molecular functions, also exhibit high correlation in their expression patterns. We investigate this correlation as a potential confounding factor common to current GSA methods using Indygene http:\\/\\/www.cbio.uct.ac.za\\/indygene, a web tool that reduces a supplied list of genes so that it includes no pairwise paralogy relationships above a specified sequence similarity threshold. We use the tool to reanalyse previously published microarray datasets and determine the potential utility of accounting for the presence of paralogs. Conclusions The Indygene tool efficiently removes paralogy relationships from a given dataset and we found that such a reduction, performed prior to GSA, has the ability to generate significantly different results that often represent novel and plausible biological hypotheses. This was demonstrated for three different GSA approaches when applied to the reanalysis of previously published microarray datasets and suggests that the redundancy and non-independence of paralogs is an important consideration when dealing with GSA methodologies.

  9. Effects of methylphenidate on attentional set-shifting in a genetic model of attention-deficit/hyperactivity disorder.

    Science.gov (United States)

    Cao, Ai-hua; Yu, Lin; Wang, Yu-wei; Wang, Jun-mei; Yang, Le-jin; Lei, Ge-Fei

    2012-02-28

    Although deficits of attentional set-shifting have been reported in individuals with attention deficit/hyperactivity disorder (ADHD), it is rarely examined in animal models. This study compared spontaneously hypertensive rats (SHRs; a genetic animal model of ADHD) and Wistar-Kyoto (WKY) and Sprague-Dawley (SD) rats (normoactive control strains), on attentional set-shifting task (ASST) performance. Furthermore, the dose-effects of methylphenidate (MPH) on attentional set-shifting of SHR were investigated. In experiment 1, ASST procedures were conducted in SHR, WKY and SD rats of 8 each at the age of 5 weeks. Mean latencies at the initial phase, error types and numbers, and trials to criteria at each stage were recorded. In experiment 2, 24 SHR rats were randomly assigned to 3 groups of 8 each-- MPH-L (lower dose), MPH-H (higher dose), and SHR-vehicle groups. From 3 weeks, they were administered 2.5 mg/kg or 5 mg/kg MPH or saline respectively for 14 consecutive days. All rats were tested in the ASST at the age of 5 weeks. The SHRs generally exhibited poorer performance on ASST than the control WKY and SD rats. Significant strain effects on mean latency [F (2, 21) = 639.636, p attentional set-shifting. Our study provides evidence that MPH may improve the SHR's performance on attentional set-shifting and lower dose is more effective than higher dose.

  10. Effects of non-latching blast valves on the source term and consequences of the design-basis accidents in the Device Assembly Facility (DAF)

    International Nuclear Information System (INIS)

    Nguyen, D.H.

    1993-08-01

    The analysis of the Design-Basis Accidents (DBA) involving high explosives (HE) and Plutonium (Pu) in the assembly cell of the Device Assembly Facility (DAF), which was completed earlier, assumed latching blast valves in the ventilation system of the assembly cell. Latching valves effectively sealed a release path through the ventilation duct system. However, the blast valves in the assembly cell, as constructed are actually non-latching valves, and would reopen when the gas pressure drops to 0.5 psi above one atmosphere. Because the reopening of the blast valves provides an additional release path to the environment, and affects the material transport from the assembly cell to other DAF buildings, the DOE/NV DAF management has decided to support an additional analysis of the DAF's DBA to account for the effects of non-latching valves. Three cases were considered in the DAF's DBA, depending on the amount of HE and Pu involved, as follows: Case 1 -- 423 number-sign HE, 16 kg Pu; Case 2 -- 150 number-sign HE 10 kg Pu; Case 3 -- 55 number-sign HE 5 kg Pu. The results of the analysis with non-latching valves are summarized

  11. Statistical analysis of the effective factors on the 28 days compressive strength and setting time of the concrete.

    Science.gov (United States)

    Abolpour, Bahador; Mehdi Afsahi, Mohammad; Hosseini, Saeed Gharib

    2015-09-01

    In this study, the effects of various factors (weight fraction of the SiO2, Al2O3, Fe2O3, Na2O, K2O, CaO, MgO, Cl, SO3, and the Blaine of the cement particles) on the concrete compressive strength and also initial setting time have been investigated. Compressive strength and setting time tests have been carried out based on DIN standards in this study. Interactions of these factors have been obtained by the use of analysis of variance and regression equations of these factors have been obtained to predict the concrete compressive strength and initial setting time. Also, simple and applicable formulas with less than 6% absolute mean error have been developed using the genetic algorithm to predict these parameters. Finally, the effect of each factor has been investigated when other factors are in their low or high level.

  12. Investigating the effectiveness of the tutorials in introductory physics in multiple instructional settings

    Directory of Open Access Journals (Sweden)

    C. Slezak1

    2011-12-01

    Full Text Available This paper examines the educational impact of the implementation of the tutorial activity “Changes in Energy and Momentum” from The Tutorials in Introductory Physics in five different instructional settings. These settings include (1 a completely computer-based learning environment and (2 use of cooperative learning groups with varying levels of instructor support. Pre- and post-tests provide evidence that a computer-based implementation falls significantly short of classroom implementations which involve both collaborative learning groups and interactions with a teaching assistance. Other findings provide insight into the importance of certain elements of instructor training and the appropriate use of the tutorial as an initial introduction to a new concept.

  13. Investigating the effectiveness of the tutorials in introductory physics in multiple instructional settings

    Directory of Open Access Journals (Sweden)

    C. Slezak

    2011-12-01

    Full Text Available This paper examines the educational impact of the implementation of the tutorial activity “Changes in Energy and Momentum” from The Tutorials in Introductory Physics in five different instructional settings. These settings include (1 a completely computer-based learning environment and (2 use of cooperative learning groups with varying levels of instructor support. Pre- and post-tests provide evidence that a computer-based implementation falls significantly short of classroom implementations which involve both collaborative learning groups and interactions with a teaching assistance. Other findings provide insight into the importance of certain elements of instructor training and the appropriate use of the tutorial as an initial introduction to a new concept.

  14. The effects of a social media policy on pharmacy students' facebook security settings.

    Science.gov (United States)

    Williams, Jennifer; Feild, Carinda; James, Kristina

    2011-11-10

    To examine how students entering a doctor of pharmacy (PharmD) program used Facebook privacy settings before and after the college's social media policy was presented to them. The Facebook profiles of all entering first-year pharmacy students across 4 campuses of a college of pharmacy were evaluated. Ten dichotomous variables of interest were viewed and recorded for each student's Facebook account at 3 time points: before the start of the semester, after presentation of the college's social media policy, and at the end of the semester. Data on whether a profile could be found and what portions of the profile were viewable also were collected. After introduction of the policy, a significant number of students increased their security settings (made information not visible to the public) related to Facebook walls, information pages, and links. Making pharmacy students aware of a college's social media policy had a positive impact on their behaviors regarding online security and privacy.

  15. A Common Set of Core Values - The Foundation for a More Effective Joint Force

    Science.gov (United States)

    2015-05-18

    Next, they aid in consistent moral behavior. Third, core values develop trust.13 Individual and Organizational Identity With regard to identity...far as moral behavior is concerned, core values are also necessary as an aid to consistent moral behavior. Given the solemn duty of protecting the...Ethics. “What I am looking for is a more compact set, something like three legs on a stool …absolutely essential for the correct functioning of the

  16. Effect of Different Tube Potential Settings on Caries Detection using PSP Plate and Conventional Film.

    Science.gov (United States)

    De Melo, Daniela Pita; Cruz, Adriana Dibo; Melo, Saulo Leonardo Sousa; De Farias, Julyanna Filgueiras GonçAlves; Haiter-Neto, Francisco; De Almeida, Solange Maria

    2015-04-01

    To compare intraoral Phosphor Stimulable Plate digital system and intraoral film using different tube settings on incipient proximal caries detection. Five blocks, with five teeth each, were radiographically examined using phosphor plates and F-speed films. The images were acquired in 07 different tube potentials from 50-80 kV. The films were digitized. Three oral radiologists scored the images for the presence of caries using a 5-point rating scale. The areas under ROC curve were calculated. The influence of tube kilovoltage was verified by ANOVA and pair wise comparisons performed using Tukey test. Mean ROC curve areas varied from 0.446-0.628 for digital images and 0.494-0.559 for conventional images. The tube setting of 70 kV presented the best result both for digital and conventional images. Considering the image type separately, 70 kV scored highest followed by 75 and 65 kV for digital images (p=0.084). For conventional image modality, even though 70 kV presented the best result, it did not differ significantly from 80 kV, not differing from 60 and 55 kV, which did not differ from 75, 65 and 50 kV (p=0.53). Phosphor plate digital images seem to be more susceptible to tube setting potential variations then digitized film images.

  17. Effects of Chlorhexidine and Sodium Hypochlorite on the Setting Time of Calcium-Enriched Mixture Cement.

    Science.gov (United States)

    Frough Reyhani, Mohammad; Ghasemi, Negin; Shakouie, Sahar; Rahimi, Saeed; Salem Milani, Amin; Ranjbar, Babak

    2015-01-01

    The aim of the present study was to evaluate whether adding 2% chlorhexidine (CHX) and 2.6% sodium hypochlorite (NaOCl) to calcium-enriched mixture (CEM) cement would affect its setting time (ST), or not. In this study, the setting time of CEM cement was evaluated in three groups (n=9) as follows: group 1; CEM cement, group 2; CEM cement+2% CHX and group 3; CEM cement+2.6% NaOCl. Then the mean values of ST were calculated and the Kolmogorov-Smirnov test was used to evaluate the normal distribution of data. The Kruskal-Wallis and Mann-Whitney U tests were used for statistical analysis. Statistical significance was set at 0.05. The mean ST for groups 1, 2 and 3 were 105, 120 and 220 min, respectively. There was a significant increase in the duration of ST in group 3 (NaOCl) in comparison with the two other groups (P<0.05). NaOCl significantly increased the ST of CEM cement, whereas chlorhexidine did not alter the ST.

  18. Health effects model for nuclear power plant accident consequence analysis. Part I. Introduction, integration, and summary. Part II. Scientific basis for health effects models

    International Nuclear Information System (INIS)

    Evans, J.S.; Moeller, D.W.; Cooper, D.W.

    1985-07-01

    Analysis of the radiological health effects of nuclear power plant accidents requires models for predicting early health effects, cancers and benign thyroid nodules, and genetic effects. Since the publication of the Reactor Safety Study, additional information on radiological health effects has become available. This report summarizes the efforts of a program designed to provide revised health effects models for nuclear power plant accident consequence modeling. The new models for early effects address four causes of mortality and nine categories of morbidity. The models for early effects are based upon two parameter Weibull functions. They permit evaluation of the influence of dose protraction and address the issue of variation in radiosensitivity among the population. The piecewise-linear dose-response models used in the Reactor Safety Study to predict cancers and thyroid nodules have been replaced by linear and linear-quadratic models. The new models reflect the most recently reported results of the follow-up of the survivors of the bombings of Hiroshima and Nagasaki and permit analysis of both morbidity and mortality. The new models for genetic effects allow prediction of genetic risks in each of the first five generations after an accident and include information on the relative severity of various classes of genetic effects. The uncertainty in modeloling radiological health risks is addressed by providing central, upper, and lower estimates of risks. An approach is outlined for summarizing the health consequences of nuclear power plant accidents. 298 refs., 9 figs., 49 tabs

  19. Health effects model for nuclear power plant accident consequence analysis. Part I. Introduction, integration, and summary. Part II. Scientific basis for health effects models

    Energy Technology Data Exchange (ETDEWEB)

    Evans, J.S.; Moeller, D.W.; Cooper, D.W.

    1985-07-01

    Analysis of the radiological health effects of nuclear power plant accidents requires models for predicting early health effects, cancers and benign thyroid nodules, and genetic effects. Since the publication of the Reactor Safety Study, additional information on radiological health effects has become available. This report summarizes the efforts of a program designed to provide revised health effects models for nuclear power plant accident consequence modeling. The new models for early effects address four causes of mortality and nine categories of morbidity. The models for early effects are based upon two parameter Weibull functions. They permit evaluation of the influence of dose protraction and address the issue of variation in radiosensitivity among the population. The piecewise-linear dose-response models used in the Reactor Safety Study to predict cancers and thyroid nodules have been replaced by linear and linear-quadratic models. The new models reflect the most recently reported results of the follow-up of the survivors of the bombings of Hiroshima and Nagasaki and permit analysis of both morbidity and mortality. The new models for genetic effects allow prediction of genetic risks in each of the first five generations after an accident and include information on the relative severity of various classes of genetic effects. The uncertainty in modeloling radiological health risks is addressed by providing central, upper, and lower estimates of risks. An approach is outlined for summarizing the health consequences of nuclear power plant accidents. 298 refs., 9 figs., 49 tabs.

  20. Design basis 2

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, G.; Soerensen, P. [Risoe National Lab., Roskilde (Denmark)

    1996-09-01

    Design Basis Program 2 (DBP2) is comprehensive fully coupled code which has the capability to operate in the time domain as well as in the frequency domain. The code was developed during the period 1991-93 and succeed Design Basis 1, which is a one-blade model presuming stiff tower, transmission system and hub. The package is designed for use on a personal computer and offers a user-friendly environment based on menu-driven editing and control facilities, and with graphics used extensively for the data presentation. Moreover in-data as well as results are dumped on files in Ascii-format. The input data is organized in a in-data base with a structure that easily allows for arbitrary combinations of defined structural components and load cases. (au)

  1. The Effects of Different Standard Setting Methods and the Composition of Borderline Groups: A Study within a Law Curriculum

    Science.gov (United States)

    Dochy, Filip; Kyndt, Eva; Baeten, Marlies; Pottier, Sofie; Veestraeten, Marlies; Leuven, K. U.

    2009-01-01

    The aim of this study was to examine the effect of different standard setting methods on the size and composition of the borderline group, on the discrimination between different types of students and on the types of students passing with one method but failing with another. A total of 107 university students were classified into 4 different types…

  2. Randomized Controlled Trial in Clinical Settings to Evaluate Effectiveness of Coping Skills Education Used with Progressive Tinnitus Management

    Science.gov (United States)

    Henry, James A.; Thielman, Emily J.; Zaugg, Tara L.; Kaelin, Christine; Schmidt, Caroline J.; Griest, Susan; McMillan, Garnett P.; Myers, Paula; Rivera, Izel; Baldwin, Robert; Carlson, Kathleen

    2017-01-01

    Purpose: This randomized controlled trial evaluated, within clinical settings, the effectiveness of coping skills education that is provided with progressive tinnitus management (PTM). Method: At 2 Veterans Affairs medical centers, N = 300 veterans were randomized to either PTM intervention or 6-month wait-list control. The PTM intervention…

  3. Coping with Challenging Behaviours of Children with Autism: Effectiveness of Brief Training Workshop for Frontline Staff in Special Education Settings

    Science.gov (United States)

    Ling, C. Y. M.; Mak, W. W. S.

    2012-01-01

    Background: The present study examined the effectiveness of three staff training elements: psychoeducation (PE) on autism, introduction of functional behavioural analysis (FBA) and emotional management (EM), on the reaction of challenging behaviours for frontline staff towards children with autism in Hong Kong special education settings. Methods:…

  4. Evaluating the effects of alternative forest management plans under various physiographic settings using historical records as a reference

    Science.gov (United States)

    Yangjian Zhang; Hong S. He; Stephen R. Shifley; Jian Yang; Brian J. Palik

    2011-01-01

    Using historical General Land Office record as a reference, this study employed a landscape-scale disturbance and succession model to estimate the future cumulative effects of six alternative management plans on the tree species composition for various physiographic settings for the Mark Twain National Forest in Missouri. The results indicate that over a 200-year...

  5. Determinants and Effects of Nurse Staffing Intensity and Skill Mix in Residential Care/Assisted Living Settings

    Science.gov (United States)

    Stearns, Sally C.; Park, Jeongyoung; Zimmerman, Sheryl; Gruber-Baldini, Ann L.; Konrad, Thomas R.; Sloane, Philip D.

    2007-01-01

    Purpose: Residential care/assisted living facilities have become an alternative to nursing homes for many individuals, yet little information exists about staffing in these settings and the effect of staffing. This study analyzed the intensity and skill mix of nursing staff using data from a four-state study, and their relationship to outcomes.…

  6. Effect of Frequent Peer-Monitored Testing and Personal Goal Setting on Fitnessgram Scores of Hispanic Middle School Students

    Science.gov (United States)

    Hill, Grant; Downing, Aaron

    2015-01-01

    The purpose of this study was to determine the effects of frequent peer-monitored Fitnessgram testing, with student goal setting, on the PACER and push-up performance of middle school students. Subjects were 176 females and 189 males in 10 physical education classes at a middle school with an 83.7% Hispanic student population. Students were…

  7. The Effects of Task Clarification, Feedback, and Goal Setting on Student Advisors' Office Behaviors and Customer Service

    Science.gov (United States)

    Tittelbach, Danielle; DeAngelis, Maureen; Sturmey, Peter; Alvero, Alicia M.

    2007-01-01

    This study evaluated the effects of feedback, task clarification and goal-setting on office behaviors and customer service of ten undergraduate participants that served as university advisors. A multiple baseline design was implemented across three target behaviors: client greeting, front-desk behaviors, and punctuality. During intervention the…

  8. Examining the Effects of School-Based Drug Prevention Programs on Drug Use in Rural Settings: Methodology and Initial Findings

    Science.gov (United States)

    Brown, C. Hendricks; Guo, Jing; Singer, L. Terri; Downes, Katheryne; Brinales, Joseph M.

    2007-01-01

    Context: Although there have been substantial advances in knowledge about drug prevention over the last decade, the majority of school-based drug prevention studies have been conducted in urban settings. There is little knowledge about the effectiveness of such programs when they are implemented in rural populations. Purpose: To examine the…

  9. A comparison of methods to separate treatment from self-selection effects in an online banking setting

    NARCIS (Netherlands)

    Gensler, S.; Leeflang, P.S.H.; Skiera, B.

    The literature discusses several methods to control for self-selection effects but provides little guidance on which method to use in a setting with a limited number of variables. The authors theoretically compare and empirically assess the performance of different matching methods and instrumental

  10. Generating a taxonomy of spatially cued attention for visual discrimination: Effects of judgment precision and set size on attention

    Science.gov (United States)

    Hetley, Richard; Dosher, Barbara Anne; Lu, Zhong-Lin

    2014-01-01

    Attention precues improve the performance of perceptual tasks in many but not all circumstances. These spatial attention effects may depend upon display set size or workload, and have been variously attributed to external noise filtering, stimulus enhancement, contrast gain, or response gain, or to uncertainty or other decision effects. In this study, we document systematically different effects of spatial attention in low- and high-precision judgments, with and without external noise, and in different set sizes in order to contribute to the development of a taxonomy of spatial attention. An elaborated perceptual template model (ePTM) provides an integrated account of a complex set of effects of spatial attention with just two attention factors: a set-size dependent exclusion or filtering of external noise and a narrowing of the perceptual template to focus on the signal stimulus. These results are related to the previous literature by classifying the judgment precision and presence of external noise masks in those experiments, suggesting a taxonomy of spatially cued attention in discrimination accuracy. PMID:24939234

  11. The Effect of Teacher Approval and Disapproval of Music Performed in a Rehearsal Setting on Music Preferences

    Science.gov (United States)

    Droe, Kevin L.

    2008-01-01

    The purpose of this study was to investigate the effects of teacher approvals and disapprovals of music performed in a rehearsal setting on the music preferences of middle school students. Students (N = 440) from eight middle school bands participated in the study and were assigned one of four different rehearsal conditions. Teachers rehearsed…

  12. Effect of Modifying Intervention Set Size with Acquisition Rate Data While Practicing Single-Digit Multiplication Facts

    Science.gov (United States)

    Burns, Matthew K.; Zaslofsky, Anne F.; Maki, Kathrin E.; Kwong, Elena

    2016-01-01

    Incremental rehearsal (IR) has consistently led to effective retention of newly learned material, including math facts. The number of new items taught during one intervention session, called the intervention set, could be used to individualize the intervention. The appropriate amount of information that a student can rehearse and later recall…

  13. Effects of drop sets with resistance training on increases in muscle CSA, strength, and endurance: a pilot study.

    Science.gov (United States)

    Ozaki, Hayao; Kubota, Atsushi; Natsume, Toshiharu; Loenneke, Jeremy P; Abe, Takashi; Machida, Shuichi; Naito, Hisashi

    2018-03-01

    To investigate the effects of a single high-load (80% of one repetition maximum [1RM]) set with additional drop sets descending to a low-load (30% 1RM) without recovery intervals on muscle strength, endurance, and size in untrained young men. Nine untrained young men performed dumbbell curls to concentric failure 2-3 days per week for 8 weeks. Each arm was randomly assigned to one of the following three conditions: 3 sets of high-load (HL, 80% 1RM) resistance exercise, 3 sets of low-load [LL, 30% 1RM] resistance exercise, and a single high-load (SDS) set with additional drop sets descending to a low-load. The mean training time per session, including recovery intervals, was lowest in the SDS condition. Elbow flexor muscle cross-sectional area (CSA) increased similarly in all three conditions. Maximum isometric and 1RM strength of the elbow flexors increased from pre to post only in the HL and SDS conditions. Muscular endurance measured by maximum repetitions at 30% 1RM increased only in the LL and SDS conditions. A SDS resistance training program can simultaneously increase muscle CSA, strength, and endurance in untrained young men, even with lower training time compared to typical resistance exercise protocols using only high- or low-loads.

  14. Dosage, effectiveness, and safety of sertraline treatment for posttraumatic stress disorder in a Japanese clinical setting: a retrospective study

    OpenAIRE

    Kamo, Toshiko; Maeda, Masaharu; Oe, Misari; Kato, Hiroshi; Shigemura, Jun; Kuribayashi, Kazuhiko; Hoshino, Yuko

    2016-01-01

    Background Many of the posttraumatic stress disorder (PTSD) treatment guidelines recognize the use of selective serotonin reuptake inhibitors as first-line pharmacological treatment. In Japan, there were no published studies investigating the effectiveness and safety of sertraline for PTSD in a clinical setting. Methods We conducted a retrospective medical chart review of the dosage, effectiveness, and safety of sertraline for the PTSD treatment in Japan. Data were collected from medical char...

  15. Penile prosthesis surgery in out-patient setting: Effectiveness and costs in the “spending review” era

    Directory of Open Access Journals (Sweden)

    Nicola Mondaini

    2014-09-01

    Full Text Available Introduction: Penile implant patients are required to remain in the hospital after the operation for monitoring, antibiotic and analgesia administration. Cost containment, however, has resulted in the increased use of ambulatory surgery settings for many surgical procedures. Few studies have studied the feasibility of performing penile prosthesis insertion in an outpatient setting. The results are controversial and nowadays, in the most of centers that deal with prosthetic surgery, patients are still hospitalized. Aim: The aim of our investigation was to compare the feasibility of the performance as well as the complication profiles of penile implant surgery performed in an in-patient and an outpatient setting at a single center by a single surgeon. Methods: From January 2009 to June 2014, 50 patients of the same uro-andrological unit underwent penile prosthesis implantation performed by a single surgeon (N.M.. Twenty implantations were performed in an ambulatory day surgery setting. Main outcome measures: Effectiveness and costs of outpatient setting versus the in-patient setting of the penile prosthesis surgery. Results: There were some differences between the two groups in the intra-operative parameters, such as, operating time. Time lost from work was similar in both groups approximating 14 days. The mean number of analgesic pills ingested by the patients post-operatively was similar in both groups, averaging just under 25 pills per patient. There weren’t post-operative complications in the outpatient group. Cost were 17% less in outpatient clinic. Conclusions: The outpatient setting for this surgery is safe and effective even in patients with comorbidities or in case of secondary procedures. Costs are reduced by 17%.

  16. Development of perturbation theory expressions for the evaluation of reactivity effects and sensitivity coefficient of reactivity effect to the group cross-sections on the basis of improved coarse mesh method for 3D diffusion problem

    International Nuclear Information System (INIS)

    Seregin, A.S.

    2000-01-01

    In the paper the formulae for perturbation theory functionals calculation are given and equations are based on improved coarse mesh discretization of diffusion problem in 3-dimensional geometry (Hex-Z). Expressions for the reactivity effect components and reactivity coefficients, written in the framework of the first order perturbation theory, are presented. On this basis the formulae for estimation of the sensitivity coefficients of different reactivity effects group cross-sections were derived. Expressions for the reactivity effect and its components obtained in the framework of the strict perturbation theory, are also presented in the paper. (author)

  17. The Effects of Degraded Digital Instrumentation and Control Systems on Human-system Interfaces and Operator Performance: HFE Review Guidance and Technical Basis

    Energy Technology Data Exchange (ETDEWEB)

    O' Hara, J.M.; W. Gunther, G. Martinez-Guridi

    2010-02-26

    New and advanced reactors will use integrated digital instrumentation and control (I&C) systems to support operators in their monitoring and control functions. Even though digital systems are typically highly reliable, their potential for degradation or failure could significantly affect operator performance and, consequently, impact plant safety. The U.S. Nuclear Regulatory Commission (NRC) supported this research project to investigate the effects of degraded I&C systems on human performance and plant operations. The objective was to develop human factors engineering (HFE) review guidance addressing the detection and management of degraded digital I&C conditions by plant operators. We reviewed pertinent standards and guidelines, empirical studies, and plant operating experience. In addition, we conducted an evaluation of the potential effects of selected failure modes of the digital feedwater system on human-system interfaces (HSIs) and operator performance. The results indicated that I&C degradations are prevalent in plants employing digital systems and the overall effects on plant behavior can be significant, such as causing a reactor trip or causing equipment to operate unexpectedly. I&C degradations can impact the HSIs used by operators to monitor and control the plant. For example, sensor degradations can make displays difficult to interpret and can sometimes mislead operators by making it appear that a process disturbance has occurred. We used the information obtained as the technical basis upon which to develop HFE review guidance. The guidance addresses the treatment of degraded I&C conditions as part of the design process and the HSI features and functions that support operators to monitor I&C performance and manage I&C degradations when they occur. In addition, we identified topics for future research.

  18. The Effects of Degraded Digital Instrumentation and Control Systems on Human-system Interfaces and Operator Performance: HFE Review Guidance and Technical Basis

    International Nuclear Information System (INIS)

    O'Hara, J.M.; Gunther, W.; Martinez-Guridi, G.

    2010-01-01

    New and advanced reactors will use integrated digital instrumentation and control (I and C) systems to support operators in their monitoring and control functions. Even though digital systems are typically highly reliable, their potential for degradation or failure could significantly affect operator performance and, consequently, impact plant safety. The U.S. Nuclear Regulatory Commission (NRC) supported this research project to investigate the effects of degraded I and C systems on human performance and plant operations. The objective was to develop human factors engineering (HFE) review guidance addressing the detection and management of degraded digital I and C conditions by plant operators. We reviewed pertinent standards and guidelines, empirical studies, and plant operating experience. In addition, we conducted an evaluation of the potential effects of selected failure modes of the digital feedwater system on human-system interfaces (HSIs) and operator performance. The results indicated that I and C degradations are prevalent in plants employing digital systems and the overall effects on plant behavior can be significant, such as causing a reactor trip or causing equipment to operate unexpectedly. I and C degradations can impact the HSIs used by operators to monitor and control the plant. For example, sensor degradations can make displays difficult to interpret and can sometimes mislead operators by making it appear that a process disturbance has occurred. We used the information obtained as the technical basis upon which to develop HFE review guidance. The guidance addresses the treatment of degraded I and C conditions as part of the design process and the HSI features and functions that support operators to monitor I and C performance and manage I and C degradations when they occur. In addition, we identified topics for future research.

  19. Molecular structure, FT IR, NMR, UV, NBO and HOMO-LUMO of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile by DFT/B3LYP and PBEPBE methods with LanL2DZ and 6-311++G(d,2p) basis sets.

    Science.gov (United States)

    Khajehzadeh, Mostafa; Moghadam, Majid

    2017-06-05

    Structural and molecular properties of antidepressants 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile were examined using quantum mechanics of Density Functional Theory (DFT)/B3LYP and PBEPBE methods with 6-311++G(d,2p) and LanL2DZ basis sets to study the therapeutic properties of the drug. For this, the structure of desired material was optimized by the computer calculation method and with the use of powerful Gaussian 09 software. Then the lowest energy value and the bond length, bond angle and dihedral angle between its constituent atoms in the crystal structure of the desired material were measured from the optimized values. Then the amount of positive and negative charges, polarizability and dipole moment of its atoms using Mulliken charge and Natural atomic charges, DFT/B3LYP and PBEPBE methods with 6-311++G(d,2p) and LanL2DZ basis sets were determined and the results were compared with each other for individual atoms and by mentioned methods. Also the type of stretching vibrations and bending vibrations between the constituent atoms of the molecule were specified using mentioned computational methods and FT IR vibrational spectra. The experimental spectrum of this material was taken to determine the functional groups and the computational and experimental values were compared to each other and Nuclear Magnetic Resonance (NMR) was used to specify the isomer shift between the carbons and protons in the presence of polar and nonpolar solvents. Also Natural Bond Orbital (NBO) was used to determine the type of electron transfers in σ→σ∗ and π→π∗ and LP(1)→σ∗ and LP(2)→σ∗ and the amount of hardness and softness in molecule was determined using the difference between ionization energy and electron affinity energy in constituent atoms of that molecule in the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and in the presence of solvents H 2 O, CH 3 CN and C 6 H 12

  20. Effects of acute caffeine ingestion on resistance training performance and perceptual responses during repeated sets to failure.

    Science.gov (United States)

    Da Silva, V L; Messias, F R; Zanchi, N E; Gerlinger-Romero, F; Duncan, M J; Guimarães-Ferreira, L

    2015-05-01

    The aim of the present study was to evaluate the effect of oral caffeine ingestion during repeated sets of resistance. Fourteen moderately resistance-trained men (20.9 ± 0.36 years and 77.62 ± 2.07 kg of body weight) ingested a dose of caffeine (5 mg.kg-1) or placebo prior to 3 sets of bench press and 3 sets of leg press exercises, respectively. The study used a double-blind, counterbalanced, crossover design. Repetitions completed and total weight lifted were recorded in each set. Readiness to invest in both physical (RTIPE) and mental (RTIME) effort were assessed prior each set, and rating of perceived exertion (RPE) was recorded after each set. Rest and peak heart rates were determined via telemetry. Caffeine ingestion result in increased number of repetitions to failure in bench press (F[1,13]=6.16, P=0.027) and leg press (F[1,13]=9.33, P=0.009) compared to placebo. The sum of repetitions performed in the 3 sets was 11.60% higher in bench press (26.86 ± 1.74; caffeine: 30.00 ± 1.87; P=0.027) and 19.10% in leg press (placebo: 40.0 ± 4.22; caffeine: 47.64 ± 4.69; P=0.009). Also, RTIME was increased in the caffeine condition both in bench press (F[1,13]=7.02, P=0.02) and in leg press (F[1,13]=5.41, P=0.03). There were no differences in RPE, RTIPE and HR (P>0.05) across conditions. Acute caffeine ingestion can improve performance in repeated sets to failure and increase RTIME in resistance-trained men.

  1. The effects of mulch types on earliness, fruit set ratios, and yield for apricot

    Directory of Open Access Journals (Sweden)

    Burcu YAMAN

    2013-12-01

    Full Text Available The objective of this study is to enhance earliness and fruit set, which is a crucial factor in apricot production. The study was conducted on an apricot orchard located in Serinyol town of Antakya between 2010 and 2011. In the experiment, ‘Ninfa’, ‘Bebeco’, ‘Aurora’ and ‘Roksana’ cultivars were used. The experimental cultivars were planted on 3 x 6 m in 2006 as one-year-old plants budded on seedling rootstocks. The plants have been irrigated by drip irrigation since their transplantation. In the experiment, there were four treatments as follows: control, transparent polyethylene mulch, organic mulch, and transparent polyethylene mulch + organic mulch. As plastic mulch, a 0.02 mm (UV+AB transparent plastic 1.60 cm in width; and, wheat straw as organic mulch was used. The experiment was designed as split-plot experimental design with 5 replications having 1 tree in each replication. The mulch was applied based on the physiological stages of the trees; prior to break of dormancy and opening of the buds. In the study, phenological observations (first flowering, full flowering and the end of the flowering as well as fruit set ratios, the status of vegetative development and yield were determined. As a result, in the both years, the flowering and fruit set ratios of control trees were found lower than the organic mulch or plastic mulch treated trees. Mulching treatments were enhanced 2-4 days earliness compared to control treatment for fruit maturity; and transparent polyethylene mulch + organic mulch was found partially better than the others two mulching treatments.

  2. ELT Materials: The Key to Fostering Effective Teaching and Learning Settings

    Directory of Open Access Journals (Sweden)

    Astrid Núñez Pardo

    2009-10-01

    Full Text Available Our article aims at providing teachers with an overview for materials development, taking into account the experience gained by two teachers in the English Programme of the School of Education at Universidad Externado de Colombia in Bogotá. This experience has helped us achieve better teaching and learning conditions for our university students in their quest to learn a foreign language. This paper addresses the issue of the role of teachers as textbook developers, and how they can meet materials development demands by integrating a clear conceptualisation and set of principles as well as their essential components.

  3. The effects of goal setting, contingent reward, and instruction on writing skills.

    Science.gov (United States)

    Hansen, Blake D; Wills, Howard P

    2014-01-01

    Writing is one of the primary skills that children learn in school. Interventions that address performance deficits and skill deficits have been shown to improve aspects of elementary school children's writing. This study demonstrates performance-based interventions (goal setting, feedback, and contingent reward) and a skill-based intervention (instruction) on the writing skills of a 10-year-old child. Results indicated that the performance intervention increased the number of correctly spelled words, and the combination of performance and instructional intervention increased the number of complete sentences. © Society for the Experimental Analysis of Behavior.

  4. Effect of changing of the parameters of the cable network of monitoring systems of high-rise buildings on the basis of string converters on their operability

    Science.gov (United States)

    Gusev, Nikolay; Svatovskaya, Larisa; Kucherenko, Alexandr

    2018-03-01

    The article is devoted to the problem of improving the reliability of monitoring systems for the technical conditions of high-rise buildings. The improvement is based on string sensors with an impulsed excitation method ensuring the maximum signal-to-noise ratio at their output. The influence of the parameters of the monitoring system on the shape of the excitation impulses of the string, and, consequently, on the amplitude of the string vibration of the string converter is also considered in the article. It has been experimentally proved that the parameters of the excitation impulses of the string converters. The article presents the results of the experiments showing the effect of the fronts duration of the excitation impulses on the amplitude of the oscillations of the strings. The influence of the fronts duration of the excitation impulse with the frontal lengths up to 0.5 ms is studied at the excitation impulse duration not exceeding 0.5 times the duration of natural oscillation periods of the string. The experimental data are compared with the theoretical ones and hypotheses explaining their difference are advanced. The article suggests some methods of reducing the influence of the cable-switching equipment system parameters on the amplitude of string oscillations. The possibilities of improving the reliability of the systems developed on the basis of string sensors with an impulsed excitation method and used for monitoring the technical conditions of the high-rise buildings are proposed.

  5. Molecular Basis of Bacterial Longevity

    Directory of Open Access Journals (Sweden)

    Kieran B. Pechter

    2017-11-01

    Full Text Available It is well known that many bacteria can survive in a growth-arrested state for long periods of time, on the order of months or even years, without forming dormant structures like spores or cysts. How is such longevity possible? What is the molecular basis of such longevity? Here we used the Gram-negative phototrophic alphaproteobacterium Rhodopseudomonas palustris to identify molecular determinants of bacterial longevity. R. palustris maintained viability for over a month after growth arrest due to nutrient depletion when it was provided with light as a source of energy. In transposon sequencing (Tn-seq experiments, we identified 117 genes that were required for long-term viability of nongrowing R. palustris cells. Genes in this longevity gene set are annotated to play roles in a number of cellular processes, including DNA repair, tRNA modification, and the fidelity of protein synthesis. These genes are critically important only when cells are not growing. Three genes annotated to affect translation or posttranslational modifications were validated as bona fide longevity genes by mutagenesis and complementation experiments. These genes and others in the longevity gene set are broadly conserved in bacteria. This raises the possibility that it will be possible to define a core set of longevity genes common to many bacterial species.

  6. Identifying Effective Features and Classifiers for Short Term Rainfall Forecast Using Rough Sets Maximum Frequency Weighted Feature Reduction Technique

    Directory of Open Access Journals (Sweden)

    Sudha Mohankumar

    2016-06-01

    Full Text Available Precise rainfall forecasting is a common challenge across the globe in meteorological predictions. As rainfall forecasting involves rather complex dynamic parameters, an increasing demand for novel approaches to improve the forecasting accuracy has heightened. Recently, Rough Set Theory (RST has attracted a wide variety of scientific applications and is extensively adopted in decision support systems. Although there are several weather prediction techniques in the existing literature, identifying significant input for modelling effective rainfall prediction is not addressed in the present mechanisms. Therefore, this investigation has examined the feasibility of using rough set based feature selection and data mining methods, namely Naïve Bayes (NB, Bayesian Logistic Regression (BLR, Multi-Layer Perceptron (MLP, J48, Classification and Regression Tree (CART, Random Forest (RF, and Support Vector Machine (SVM, to forecast rainfall. Feature selection or reduction process is a process of identifying a significant feature subset, in which the generated subset must characterize the information system as a complete feature set. This paper introduces a novel rough set based Maximum Frequency Weighted (MFW feature reduction technique for finding an effective feature subset for modelling an efficient rainfall forecast system. The experimental analysis and the results indicate substantial improvements of prediction models when trained using the selected feature subset. CART and J48 classifiers have achieved an improved accuracy of 83.42% and 89.72%, respectively. From the experimental study, relative humidity2 (a4 and solar radiation (a6 have been identified as the effective parameters for modelling rainfall prediction.

  7. Effect of the calcium to phosphorus ratio on the setting properties of calcium phosphate bone cements.

    Science.gov (United States)

    Vlad, M D; Gómez, S; Barracó, M; López, J; Fernández, E

    2012-09-01

    α-Tricalcium phosphate (α-TCP) has become the main reactant of most experimental and commercial ceramic bone cements. It has calcium-to-phosphorus (Ca/P) ratio of 1.50. The present study expands and reports on the microstructures and mechanical properties of calcium phosphate (CP) cements containing sintered monolithic reactants obtained in the interval 1.29 properties as well as on their microstructure and crystal phase evolution. The results showed that: (a) CP-cements made with reactants with Ca/P ratio other than 1.50 have longer setting and lower hardening properties; (b) CP-cements reactivity was clearly affected by the Ca/P ratio of the starting reactant; (c) reactants with Ca/P 1.50 were composed of α-TCP, tetracalcium phosphate and hydroxyapatite; (d) only the reactant with Ca/P = 1.50 was monophasic and was made of α-TCP, which transformed during the setting into calcium deficient hydroxyapatite; (e) CP-cements developed different crystal microstructures with specific features depending on the Ca/P ratio of the starting reactant.

  8. Effect of urbanisation on asthma, allergy and airways inflammation in a developing country setting.

    Science.gov (United States)

    Robinson, Colin L; Baumann, Lauren M; Romero, Karina; Combe, Juan M; Gomez, Alfonso; Gilman, Robert H; Cabrera, Lilia; Gonzalvez, Guillermo; Hansel, Nadia N; Wise, Robert A; Barnes, Kathleen C; Breysse, Patrick N; Checkley, William

    2011-12-01

    Asthma is a growing public health problem in developing countries. However, few studies have studied the role of urbanisation in this phenomenon. It was hypothesised that children living in a peri-urban setting in Peru have higher rates of asthma and allergy than rural counterparts. 1441 adolescents aged 13-15 years were enrolled from two settings: a peri-urban shanty town in Lima (n = 725) and 23 rural villages in Tumbes (n = 716). Participants filled in questionnaires on asthma and allergy symptoms, environmental exposures and sociodemographics, and underwent spirometry, and exhaled nitric oxide (eNO) and allergy skin testing. Indoor particulate matter (PM) concentrations were measured in 170 households. Lima adolescents had higher rates of lifetime wheezing (22% vs 10%), current asthma symptoms (12% vs 3%) and physician-diagnosed asthma (13% vs 2%; all p urban environment of Lima was associated with a 2.6-fold greater odds (95% CI 1.3 to 5.3) of asthma in multivariable regression. Forced expiratory volumes were higher and FEV(1)/FVC (forced expiratory volume in 1 s/forced vital capacity) ratios were lower in Lima (all p urban adolescents had more asthma, atopy and airways inflammation and were exposed to more indoor pollution. The findings provide evidence of the risks posed to lung health by peri-urban environments in developing countries.

  9. Effect of Collaborative Recommender System Parameters: Common Set Cardinality and the Similarity Measure

    Directory of Open Access Journals (Sweden)

    Mohammad Yahya H. Al-Shamri

    2016-01-01

    Full Text Available Recommender systems are widespread due to their ability to help Web users surf the Internet in a personalized way. For example, collaborative recommender system is a powerful Web personalization tool for suggesting many useful items to a given user based on opinions collected from his neighbors. Among many, similarity measure is an important factor affecting the performance of the collaborative recommender system. However, the similarity measure itself largely depends on the overlapping between the user profiles. Most of the previous systems are tested on a predefined number of common items and neighbors. However, the system performance may vary if we changed these parameters. The main aim of this paper is to examine the performance of the collaborative recommender system under many similarity measures, common set cardinalities, rating mean groups, and neighborhood set sizes. For this purpose, we propose a modified version for the mean difference weight similarity measure and a new evaluation metric called users’ coverage for measuring the recommender system ability for helping users. The experimental results show that the modified mean difference weight similarity measure outperforms other similarity measures and the collaborative recommender system performance varies by varying its parameters; hence we must specify the system parameters in advance.

  10. Inorganic polymers from alkali activation of metakaolin: Effect of setting and curing on structure

    Energy Technology Data Exchange (ETDEWEB)

    Lancellotti, Isabella, E-mail: isabella.lancellotti@unimore.it [Deparment of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Vignolese 905/A, Modena I-41125 (Italy); Catauro, Michelina [Department of Aerospace and Mechanical Engineering, Second University of Naples, Via Roma 29, Aversa (CE) I-81031 (Italy); Ponzoni, Chiara [Deparment of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Vignolese 905/A, Modena I-41125 (Italy); Bollino, Flavia [Department of Aerospace and Mechanical Engineering, Second University of Naples, Via Roma 29, Aversa (CE) I-81031 (Italy); Leonelli, Cristina [Deparment of Engineering “Enzo Ferrari”, University of Modena and Reggio Emilia, Via Vignolese 905/A, Modena I-41125 (Italy)

    2013-04-15

    Geopolymers, obtained by chemical reaction between aluminosilicate oxides and silicates under highly alkaline conditions, are studied in this paper. The proposed mechanism of geopolymer setting and hardening or curing consists of a dissolution, a transportation or an orientation, as well as a polycondensation step. The aim of this paper is to investigate the influence of the curing time and temperature, the relative humidity and the reagents temperature on the geopolymerization process in order to obtain a resistant matrix usable for inertization of hazardous wastes. The evolution of the process from the precursors dissolution to final geopolymer matrix hardening has been followed by FTIR spectroscopy, X-ray diffractometry, SEM/EDS and leaching tests. The results show the significant influence of both curing temperature in the curing stage and of the mould materials on the matrix stability. The easy-to-run preparation procedure for a chemically stable metakaolin geopolymer individuated can be summarized as reagents setting and curing at room temperature and material mould which permits moisture level around 40%. - Graphical abstract: Chemical stability as a function of curing conditions. Highlights: ► Metakaolin in highly alkaline solutions produced solid materials at room temperature. ► Curing time and temperature, relative humidity, reagents temperature were optimized. ► Leaching tests were used to confirm final hardening. ► FTIR spectroscopy, SEM analysis and X-ray diffractometry were used to interpret matrix stability.

  11. Inorganic polymers from alkali activation of metakaolin: Effect of setting and curing on structure

    International Nuclear Information System (INIS)

    Lancellotti, Isabella; Catauro, Michelina; Ponzoni, Chiara; Bollino, Flavia; Leonelli, Cristina

    2013-01-01

    Geopolymers, obtained by chemical reaction between aluminosilicate oxides and silicates under highly alkaline conditions, are studied in this paper. The proposed mechanism of geopolymer setting and hardening or curing consists of a dissolution, a transportation or an orientation, as well as a polycondensation step. The aim of this paper is to investigate the influence of the curing time and temperature, the relative humidity and the reagents temperature on the geopolymerization process in order to obtain a resistant matrix usable for inertization of hazardous wastes. The evolution of the process from the precursors dissolution to final geopolymer matrix hardening has been followed by FTIR spectroscopy, X-ray diffractometry, SEM/EDS and leaching tests. The results show the significant influence of both curing temperature in the curing stage and of the mould materials on the matrix stability. The easy-to-run preparation procedure for a chemically stable metakaolin geopolymer individuated can be summarized as reagents setting and curing at room temperature and material mould which permits moisture level around 40%. - Graphical abstract: Chemical stability as a function of curing conditions. Highlights: ► Metakaolin in highly alkaline solutions produced solid materials at room temperature. ► Curing time and temperature, relative humidity, reagents temperature were optimized. ► Leaching tests were used to confirm final hardening. ► FTIR spectroscopy, SEM analysis and X-ray diffractometry were used to interpret matrix stability

  12. The Effects of a Social Media Policy on Pharmacy Students’ Facebook Security Settings

    Science.gov (United States)

    Feild, Carinda; James, Kristina

    2011-01-01

    Objective. To examine how students entering a doctor of pharmacy (PharmD) program used Facebook privacy settings before and after the college's social media policy was presented to them. Methods. The Facebook profiles of all entering first-year pharmacy students across 4 campuses of a college of pharmacy were evaluated. Ten dichotomous variables of interest were viewed and recorded for each student's Facebook account at 3 time points: before the start of the semester, after presentation of the college's social media policy, and at the end of the semester. Data on whether a profile could be found and what portions of the profile were viewable also were collected. Results. After introduction of the policy, a significant number of students increased their security settings (made information not visible to the public) related to Facebook walls, information pages, and links. Conclusions. Making pharmacy students aware of a college's social media policy had a positive impact on their behaviors regarding online security and privacy. PMID:22171105

  13. Metric graphic sets

    Science.gov (United States)

    Garces, I. J. L.; Rosario, J. B.

    2017-10-01

    For an ordered subset W = {w 1, w 2, …, wk } of vertices in a connected graph G and a vertex v of G, the metric representation of v with respect to W is the k-vector r(v|W) = (d(v, w 1), d(v, w 2), …, d(v, wk )), where d(v, wi ) is the distance of the vertices v and wi in G. The set W is called a resolving set of G if r(u|W) = r(v|W) implies u = v. The metric dimension of G, denoted by β(G), is the minimum cardinality of a resolving set of G, and a resolving set of G with cardinality equal to its metric dimension is called a metric basis of G. A set T of vectors is called a positive lattice set if all the coordinates in each vector of T are positive integers. A positive lattice set T consisting of n k-vectors is called a metric graphic set if there exists a simple connected graph G of order n + k with β(G) = k such that T = {r(ui |S) : ui ∈ V (G)\\S, 1 ≤ i ≤ n} for some metric basis S = {s 1, s 2, …, sk } of G. If such G exists, then we say G is a metric graphic realization of T. In this paper, we introduce the concept of metric graphic sets anchored on the concept of metric dimension and provide some characterizations. We also give necessary and sufficient conditions for any positive lattice set consisting of 2 k-vectors to be a metric graphic set. We provide an upper bound for the sum of all the coordinates of any metric graphic set and enumerate some properties of positive lattice sets consisting of n 2-vectors that are not metric graphic sets.

  14. Cost-effectiveness of HIV drug resistance testing to inform switching to second line antiretroviral therapy in low income settings

    DEFF Research Database (Denmark)

    Phillips, Andrew; Cambiano, Valentina; Nakagawa, Fumiyo

    2014-01-01

    BACKGROUND: To guide future need for cheap resistance tests for use in low income settings, we assessed cost-effectiveness of drug resistance testing as part of monitoring of people on first line ART - with switching from first to second line ART being conditional on NNRTI drug resistance mutations...... being identified. METHODS: An individual level simulation model of HIV transmission, progression and the effect of ART which accounts for adherence and resistance development was used to compare outcomes of various potential monitoring strategies in a typical low income setting in sub-Saharan Africa...... outcomes were assessed over 2015-2025 in terms of viral suppression, first line failure, switching to second line regimen, death, HIV incidence, disability-adjusted-life-years averted and costs. Potential future low costs of resistance tests ($30) were used. RESULTS: The most effective strategy, in terms...

  15. Calcium carbide (CaC2): Effect on fruit set and yield of mango ...

    African Journals Online (AJOL)

    Reviewer

    et al., 2001). Taking into consideration the role of calcium carbide, as a potent source of acetylene and ethylene, the study was undertaken to evaluate the effects of different doses of wax- coated CaC2 on vegetative and reproductive growth of mango. MATERIALS AND METHODS. The present study regarding the effects of ...

  16. Side effects of antidepressants during long-term use in a naturalistic setting

    NARCIS (Netherlands)

    Bet, Pierre M.; Hugtenburg, Jacqueline G.; Penninx, Brenda W. J. H.; Hoogendijk, Witte J. G.

    2013-01-01

    Side effects of antidepressants are usually underreported in clinical trials and large scale naturalistic studies are restricted to six months of use. We examined the prevalence and nature of patient-perceived side effects and their determinants during long-term antidepressant use in a naturalistic

  17. An analysis of how not to use cost-effectiveness analysis for price-setting

    NARCIS (Netherlands)

    Standaert, B.; Ethgen, O.; Emerson, R.A.; Postma, M.J.

    2013-01-01

    Objectives: Cost-effectiveness Analysis (CEA) and the calculation of the Incremental Cost-Effectiveness Ratio (ICER) together with its comparison with a threshold such as Gross Domestic Product (GDP)/capita, have long been used to assess the value for money of a new intervention compared with a

  18. Radioactive Waste Management Basis

    International Nuclear Information System (INIS)

    Perkins, B.K.

    2009-01-01

    The purpose of this Radioactive Waste Management Basis is to describe the systematic approach for planning, executing, and evaluating the management of radioactive waste at LLNL. The implementation of this document will ensure that waste management activities at LLNL are conducted in compliance with the requirements of DOE Order 435.1, Radioactive Waste Management, and the Implementation Guide for DOE Manual 435.1-1, Radioactive Waste Management Manual. Technical justification is provided where methods for meeting the requirements of DOE Order 435.1 deviate from the DOE Manual 435.1-1 and Implementation Guide.

  19. Beyond main effects of gene-sets: harsh parenting moderates the association between a dopamine gene-set and child externalizing behavior

    NARCIS (Netherlands)

    J. Windhorst (Judith); V. Mileva-Seitz; R.C.A. Rippe (Ralph C.A.); H.W. Tiemeier (Henning); V.W.V. Jaddoe (Vincent); F.C. Verhulst (Frank); M.H. van IJzendoorn (Rien); M.J. Bakermans-Kranenburg (Marian)

    2016-01-01

    textabstractBackground: In a longitudinal cohort study, we investigated the interplay of harsh parenting and genetic variation across a set of functionally related dopamine genes, in association with children's externalizing behavior. This is one of the first studies to employ gene-based and

  20. Effect of heat-setting on UV protection and antibacterial properties of cotton/spandex fabric

    Science.gov (United States)

    Pervez, M. N.; Talukder, M. E.; Shafiq, F.; Hasan, K. M. F.; Taher, M. A.; Meraz, M. M.; Cai, Y.; Lin, Lina

    2018-01-01

    An unexampled approach for simultaneous heat setting process with optimized condition at C3 (140°C, 45 s) and functional finishing, i.e. UV protection and antibacterial properties of cotton/spandex fabric were studied in this research. Experimental results disclosed that, ameliorative antibacterial efficacy and perdurable UV protection of heat-treated cotton/spandex fabrics with best sample A3 among all samples was achieved and mechanical properties also improved as the temperature rose from 120 to 140°C. In addition, Ultraviolet (UV) radiation protection and antibacterial properties are becoming increasingly necessary for human health, and textiles play an important role and this report will be appurtenant to meet regular demand.