WorldWideScience

Sample records for standard basis sets

  1. 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a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable

  2. 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...

  3. 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

  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. 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.

  7. 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.

  8. 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...

  9. 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.

  10. Repeated Interaction in Standard Setting

    NARCIS (Netherlands)

    Larouche, Pierre; Schütt, Florian

    2016-01-01

    As part of the standard-setting process, certain patents become essential. This may allow the owners of these standard-essential patents to hold up implementers of the standard, who can no longer turn to substitute technologies. However, many real-world standards evolve over time, with several

  11. 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.

  12. International standard for design basis threat (DBT)

    International Nuclear Information System (INIS)

    Blankenship, J.A.

    2002-01-01

    Full text: A design basis threat (DBT) has been used by the United States since the 1970's as a basis for the design of a facility physical protection system, a basis for the evaluation of the facility physical protection system, and as a standard against which to compare the continuously changing threat. In the last two years substantial effort has been made to develop an international standard for the development of a design basis threat. This approach is the result of a year's worth of discussions between the United States, Germany, United Kingdom, France, and most recently the Russian Federation. The International Atomic Energy Agency (IAEA) supported these discussions and the resulting process, which culminated in a three day workshop on the development of a state DBT. The IAEA was directly involved in this process due to the latest revision of INFCIRC 225, which recommends the use of a DBT in the state physical protection regime. This international standard for the development of a DBT is a significant milestone in the international community. This was necessary because Sandia National Laboratory had developed material for a 'DBT Workshop', and a standard, international approach had to be established before the workshop could be finalized and the instructional material provided to the IAEA for general use. This paper presents a summary of the new international approach to the creation and use of a design basis threat. The paper describes how a DBT is created within a state. This paper also explains the advantages and disadvantages of using this internationalized approach to the DBT. Each state may, of course, choose to modify their use of the DBT to better fit their culture, technical experience of the facilities and authorities, and strengths and weaknesses of their regulatory systems. The internationalized version of the creation and use of the DBT is a major milestone in the international effort of the United States and the IAEA, and this paper is a

  13. 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.

  14. 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

  15. 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.

  16. 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....

  17. Setting standards of restorative justice

    Directory of Open Access Journals (Sweden)

    Kostić Miomira

    2007-01-01

    Full Text Available In the article the author deals with the basic theoretical statements and discussions about the practical use of restorative justice. She discusses the questions of introducing and application of restorative justice in order to reach the balance of interests between a victim, society and a delinquent. There is no unique statement about the restorative justice concept, so the authors make this concept by listing certain activities with rispect of standards and principles. Also she emphasizes the values of restorative justice process. A part of the article is dedicated to the standards for restorative justice that are harmonized with the international documents of human rights. .

  18. 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.

  19. Standard-Setting Methods as Measurement Processes

    Science.gov (United States)

    Nichols, Paul; Twing, Jon; Mueller, Canda D.; O'Malley, Kimberly

    2010-01-01

    Some writers in the measurement literature have been skeptical of the meaningfulness of achievement standards and described the standard-setting process as blatantly arbitrary. We argue that standard setting is more appropriately conceived of as a measurement process similar to student assessment. The construct being measured is the panelists'…

  20. 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.

  1. 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...

  2. 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

  3. Setting the bar: Standards for ecosystem services

    CSIR Research Space (South Africa)

    Polasky, S

    2015-06-01

    Full Text Available to specific use contexts, such as national income and wealth accounts, corporate sustainability reporting, land-use planning, and environmental impact assessments. Many standard-setting organizations already exist, and the research community will make the most...

  4. Working group 1A - basis for the standard-safety

    International Nuclear Information System (INIS)

    Whipple, C.

    1993-01-01

    This paper presents a summary of the progress made by working group 1A (Basis for the Safety Standard) during the Electric Power Research Institute's EPRI Workshop on the technical basis of EPA HLW Disposal Criteria, March 1993. This group discussed the semantics of terms within the standard 40 CFR Part 191, the implementation of this standard, the advanced notice of rulemaking, the issue of emitting carbon-14 through a gaseous pathway, the strategy of dealing with standards for contamination of drinking water and groundwater, the 100,000 year time frame, and the analysis of specific comments. The specific comments dealt with the cost effectiveness of the standard, the dose histogram for populations and individuals, groundwater definition and the underlying technology driver for this standard

  5. Basis and rational for standardization in radiation protection

    International Nuclear Information System (INIS)

    Idris Besar

    1985-01-01

    The historical background for the standardization in radiation protection with special reference to the dose limits recommended by the ICRP which include tolerance dose, maximum permissible dose, and the present recommendation based on the ICRP 26 are presented. The basis and rational for the establishement of these limits are discussed

  6. 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)

  7. An approach to setting radiation standards

    International Nuclear Information System (INIS)

    Adler, H.I.; Weinberg, A.M.

    1978-01-01

    To quantify the concept of a radiation dose which is small compared with the natural background it is suggested that this figure should be interpreted as the standard deviation (weighted with the exposed population) of the natural background. It is considered that this use of the variation in natural background radiation is less arbitrary and requires fewer unfounded assumptions than some current approaches to standard-setting. The standard deviation is an easily calculated statistic that is small compared with the mean value for natural exposures of populations. It is an objectively determined quantity and its significance is generally understood. Its determination does not omit any of the pertinent data. If, as a result of new measurements, additional information on the variance in natural background becomes available, the appropriate adjustment of the standard deviation is readily made and does not require new decisions and debate. (U.K.)

  8. Simulant Basis for the Standard High Solids Vessel Design

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Reid A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fiskum, Sandra K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suffield, Sarah R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Daniel, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gauglitz, Phillip A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wells, Beric E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-09-30

    The Waste Treatment and Immobilization Plant (WTP) is working to develop a Standard High Solids Vessel Design (SHSVD) process vessel. To support testing of this new design, WTP engineering staff requested that a Newtonian simulant and a non-Newtonian simulant be developed that would represent the Most Adverse Design Conditions (in development) with respect to mixing performance as specified by WTP. The majority of the simulant requirements are specified in 24590-PTF-RPT-PE-16-001, Rev. 0. The first step in this process is to develop the basis for these simulants. This document describes the basis for the properties of these two simulant types. The simulant recipes that meet this basis will be provided in a subsequent document.

  9. Internal emitter research and standard setting

    International Nuclear Information System (INIS)

    Stannard, J.N.

    1981-01-01

    The history of the use of data from internal emitter research in the derivation of safety standards is reviewed. At first, observed biological effects were correlated with body burdens or exposure levels. This direct approach is illustrated by detailed accounts of the cases of uranium and plutonium. In the 1950's, when it was decided to provide standards for over 200 isotopes, the direct approach was replaced by a system of calculations. This necessitated changes in internal emitter research programs to provide metabolic data, and the development of models such as Reference Man and the Lung and Gastrointestinal Tract models. The continuing contribution of internal emitter research to standard setting can be seen in the references quoted in the metabolic data section of the new ICRP report (ICRP Publication 30). Present trends suggest a possible return to the direct use of internal emitter effects data for obtaining risk estimates. (U.K.)

  10. 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.

  11. State Standard-Setting Processes in Brief. State Academic Standards: Standard-Setting Processes

    Science.gov (United States)

    Thomsen, Jennifer

    2014-01-01

    Concerns about academic standards, whether created by states from scratch or adopted by states under the Common Core State Standards (CCSS) banner, have drawn widespread media attention and are at the top of many state policymakers' priority lists. Recently, a number of legislatures have required additional steps, such as waiting periods for…

  12. Setting the bar: Standards for ecosystem services

    Science.gov (United States)

    Polasky, Stephen; Tallis, Heather; Reyers, Belinda

    2015-01-01

    Progress in ecosystem service science has been rapid, and there is now a healthy appetite among key public and private sector decision makers for this science. However, changing policy and management is a long-term project, one that raises a number of specific practical challenges. One impediment to broad adoption of ecosystem service information is the lack of standards that define terminology, acceptable data and methods, and reporting requirements. Ecosystem service standards should be tailored to specific use contexts, such as national income and wealth accounts, corporate sustainability reporting, land-use planning, and environmental impact assessments. Many standard-setting organizations already exist, and the research community will make the most headway toward rapid uptake of ecosystem service science by working directly with these organizations. Progress has been made in aligning with existing organizations in areas such as product certification and sustainability reporting, but a major challenge remains in mainstreaming ecosystem service information into core public and private use contexts, such as agricultural and energy subsidy design, national income accounts, and corporate accounts. PMID:26082540

  13. Setting the standard: The IAEA safety standards set the global reference

    International Nuclear Information System (INIS)

    Williams, L.

    2003-01-01

    For the IAEA, setting and promoting standards for nuclear radiation, waste, and transport safety have been priorities from the start, rooted in the Agency's 1957 Statute. Today, a corpus of international standards are in place that national regulators and industries in many countries are applying, and more are being encouraged and assisted to follow them. Considerable work is done to keep safety standards updated and authoritative. They cover five main areas: the safety of nuclear facilities; radiation protection and safety of radiation sources; safe management of radioactive waste; safe transport of radioactive material; and thematic safety areas, such as emergency preparedness or legal infrastructures. Overall, the safety standards reflect an international consensus on what constitutes a high level of safety for protecting people and the environment. All IAEA Member States can nominate experts for the Agency standards committees and provide comments on draft standards. Through this ongoing cycle of review and feedback, the standards are refined, updated, and extended where needed

  14. 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.

  15. Setting the Standard for Industrial Energy Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    McKane, Aimee; Williams, Robert; Perry, Wayne; Li, Tienan

    2007-06-01

    Industrial motor-driven systems use more than 2194 billionkWh annually on a global basis and offer one of the largest opportunitiesfor energy savings.1 The International Energy Agency estimates thatoptimization of motor driven systems could reduce global electricitydemand by 7 percent through the application of commercially availabletechnologies and using well-tested engineering practices. Yet manyindustrial firms remain either unaware of or unable to achieve theseenergy savings. The same factors that make it so challenging to achieveand sustain energy efficiency in motor-driven systems (complexity,frequent changes) apply to the production processes that they support.Yet production processes typically operate within a narrow band ofacceptable performance. These processes are frequently incorporated intoISO 9000/14000 quality and environmental management systems, whichrequire regular, independent audits to maintain ISO certification, anattractive value for international trade. It is our contention that acritical step in achieving and sustaining energy efficiency ofmotor-driven systems specifically, and industrial energy efficiencygenerally, is the adoption of a corporate energy management standard thatis consistent with current industrial quality and environmentalmanagement systems such as ISO. Several energy management standardscurrently exist (US, Denmark, Ireland, Sweden) and specifications(Germany, Netherlands) others are planned (China, Spain, Brazil, Korea).This paper presents the current status of energy management standardsdevelopment internationally, including an analysis of their sharedfeatures and differences, in terms of content, promulgation, andimplementation. The purpose of the analysis is to describe the currentstate of "best practices" for this emerging area of energy efficiencypolicymaking and tosuggest next steps toward the creation of a trulyinternational energy management standard that is consistent with the ISOprinciples of measurement

  16. 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

  17. Setting standards for radiation protection: A time for change

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, H.W.; Hickman, D.P.

    1996-01-01

    In 1950, the International Commission on Radiation Protection (ICRP) recommended that ``certain radiation effects are irreversible and cumulative.`` Furthermore, the ICRP ``strongly recommended that every effort be made to reduce exposures to all types of ionizing radiations to the lowest possible level.`` Then in 1954, the ICRP published its assumption that human response to ionizing radiation was linear with dose, together with the recommendation that exposures be kept as low as practicable. These concepts are still the foundation of radiation protection policy today, even though, as Evans has stated, ``The linear non-threshold (LNT) model was adopted specifically on a basis of mathematical simplicity, not from radio-biological data.... Groups responsible for setting standards for radiation protection should be abreast of new developments and new data as they are published; however, this does not seem to be the case. For example, there have been many reports in scientific, peer-reviewed, and other publications during the last three decades that have shown the LNT model and the policy of As Low As Reasonably Achievable (ALARA) to be invalid. However, none of these reports has been refuted or even discussed by standard-setting groups. We believe this mandates a change in the standard-setting process.

  18. 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.

  19. Setting Standards: Three Tales and a Proposition

    DEFF Research Database (Denmark)

    Knudsen, Mette Præst; Nielsen, Jørgen Ulff-Møller; Pedersen, Kurt

    2001-01-01

    Technological development has a tendency to be reflected in standards. In some cases, the market is the vehicle for defining standards that will be the outcome of a competitive battle between (groups of) firms. In other cases authorities will attempt to influence the technology process...... - and the standards. The background may be industry policy in combination with the nature of the technology and the products. The battle thus may turn into a battle between the market and the administrators. This paper presents three industry cases, one representing the pure market solution, and two presenting...

  20. 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...

  1. Construct Maps as a Foundation for Standard Setting

    Science.gov (United States)

    Wyse, Adam E.

    2013-01-01

    Construct maps are tools that display how the underlying achievement construct upon which one is trying to set cut-scores is related to other information used in the process of standard setting. This article reviews what construct maps are, uses construct maps to provide a conceptual framework to view commonly used standard-setting procedures (the…

  2. The standard set game of a cooperative game

    NARCIS (Netherlands)

    Bumb, A.F.; Hoede, C.

    2003-01-01

    We show that for every cooperative game a corresponding set game can be defined, called the standard set game. Values for set games can be applied to this standard game and determine allocations for the cooperative game. On the other hand, notions for cooperative games, like the Shapley value, the

  3. Standard Establishment Through Scenarios (SETS): A new technique for occupational fitness standards.

    Science.gov (United States)

    Blacklock, R E; Reilly, T J; Spivock, M; Newton, P S; Olinek, S M

    2015-01-01

    An objective and scientific task analysis provides the basis for establishing legally defensible Physical Employment Standards (PES), based on common and essential occupational tasks. Infrequent performance of these tasks creates challenges when developing PES based on criterion, or content validity. Develop a systematic approach using Subject Matter Experts (SME) to provide tasks with 1) an occupationally relevant scenario considered common to all personnel; 2) a minimum performance standard defined by time, distance, load or work. Examples provided here relate to the development of a new PES for the Canadian Armed Forces (CAF). SME of various experience are selected based on their eligibility criteria. SME are required to define a reasonable scenario for each task from personal experience, provide occupational performance requirements of the scenario in sub-groups, and discuss and agree by consensus vote on the final standard based on the definition of essential. A common and essential task for the CAF is detailed as a case example of process application. Techniques to avoid common SME rating errors are discussed and advantages to the method described. The SETS method was developed as a systematic approach to setting occupational performance standards and qualifying information from SME.

  4. 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)].

  5. Six Dimension Strategy As A Basis Of Banking Standard Contract

    Directory of Open Access Journals (Sweden)

    Wulanmas Frederik

    2012-01-01

    Full Text Available Indonesia banking based on Article 4 of Act No.10, 1998, aims at supporting the implementation of national development in order to improve equity, economic growth and national stability in the direction of improving people’s welfare. Therefore, to show how important is banking role in supporting the implementation of development, the 6 (six Strategic Dimensions as the foundation of Banking Standards Contract are: (1. Prudent Banking Supervision and Good Corporate Governance (GCG in banking activities, (2. Refunctionalization the principle of Contract Law in Banking Standards Contract, (3. Ethics Value in Business, (4. The Act No. 8, 1999 on Consumer Protection, (5. Enforcement of Human Rights Principles in banking activities, (6. Abuse of Circumstances implementations (Misbruik van Omstandigheden in banking Contract. Based on the 6 (six Strategic Dimension as the foundation of Banking Standard Contract, it will undoubtedly create justice, equity and assurance of the rights and obligations of the parties framed in the contractual and law bonds.

  6. 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.

  7. 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

  8. 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...

  9. 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

  10. Rough Standard Neutrosophic Sets: An Application on Standard Neutrosophic Information Systems

    Directory of Open Access Journals (Sweden)

    Nguyen Xuan Thao

    2016-12-01

    Full Text Available A rough fuzzy set is the result of the approximation of a fuzzy set with respect to a crisp approximation space. It is a mathematical tool for the knowledge discovery in the fuzzy information systems. In this paper, we introduce the concepts of rough standard neutrosophic sets and standard neutrosophic information system, and give some results of the knowledge discovery on standard neutrosophic information system based on rough standard neutrosophic sets.

  11. 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

  12. Investigating the Decision-Making Process of Standard Setting Participants

    Science.gov (United States)

    Papageorgiou, Spiros

    2010-01-01

    Despite the growing interest of the language testing community in standard setting, primarily due to the use of the Common European Framework of Reference (CEFR-Council of Europe, 2001), the participants' decision-making process in the CEFR standard setting context remains unexplored. This study attempts to fill in this gap by analyzing these…

  13. 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...

  14. 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.

  15. 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.

  16. 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...

  17. 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

  18. 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....

  19. 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....

  20. Standard setting in student assessment: is a defensible method yet to come?

    Science.gov (United States)

    Barman, A

    2008-11-01

    Setting, maintaining and re-evaluation of assessment standard periodically are important issues in medical education. The cut-off scores are often "pulled from the air" or set to an arbitrary percentage. A large number of methods/procedures used to set standard or cut score are described in literature. There is a high degree of uncertainty in performance standard set by using these methods. Standards set using the existing methods reflect the subjective judgment of the standard setters. This review is not to describe the existing standard setting methods/procedures but to narrate the validity, reliability, feasibility and legal issues relating to standard setting. This review is on some of the issues in standard setting based on the published articles of educational assessment researchers. Standard or cut-off score should be to determine whether the examinee attained the requirement to be certified competent. There is no perfect method to determine cut score on a test and none is agreed upon as the best method. Setting standard is not an exact science. Legitimacy of the standard is supported when performance standard is linked to the requirement of practice. Test-curriculum alignment and content validity are important for most educational test validity arguments. Representative percentage of must-know learning objectives in the curriculum may be the basis of test items and pass/fail marks. Practice analysis may help in identifying the must-know areas of curriculum. Cut score set by this procedure may give the credibility, validity, defensibility and comparability of the standard. Constructing the test items by subject experts and vetted by multi-disciplinary faculty members may ensure the reliability of the test as well as the standard.

  1. 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.

  2. NIOH and NIOSH basis for an occupational health standard: Chlorobenzene

    International Nuclear Information System (INIS)

    Hellman, B.

    1993-01-01

    Information relevant for assessing potential adverse health effects from occupational exposure to chlorobenzene was reviewed and summarized. Topics included physical properties, chemical properties, production levels, industrial uses, occupational exposure levels, toxicokinetics, acute and chronic toxicity, organ system toxicity, immunotoxicity, allergy, genotoxicity, carcinogenicity, teratogenicity, reproductive toxicity, dose/response relationships, and research needs. Studies have indicated that chlorobenzene is absorbed via respiratory and dermal routes and has resulted in headaches, dizziness, somnolence, and dyspeptic disorders in humans chronically exposed. There were no case reports or epidemiological studies available concerned with the potential carcinogenicity of chlorobenzene in humans. There was some limited evidence indicating that the compound is genotoxic and that it may induce hematopoietic toxicity at relatively moderate doses. The author concludes that the central nervous system effects and the hepatotoxic effects should be considered in setting occupational exposure limits

  3. 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....

  4. 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....

  5. Technology standard-setting under the lens of global administrative law : Accountability, participation and transparency of standard-setting organizations

    NARCIS (Netherlands)

    Kanevskaia, Olia

    2016-01-01

    The role of transnational non-governmental bodies in international standardization has often been in the limelight of recent academic discussions. While standards developed by Standard-Setting Organizations (SSOs) are typically non-binding, they can nevertheless acquire an obligatory character,

  6. American National Standard: nuclear data sets for reactor design calculations

    International Nuclear Information System (INIS)

    1983-01-01

    This standard identifies and describes the specifications for developing, preparing, and documenting nuclear data sets to be used in reactor design calculations. The specifications include criteria for acceptance of evaluated nuclear data sets, criteria for processing evaluated data and preparation of processed continuous data and averaged data sets, and identification of specific evaluated, processed continuous, and averaged data sets which meet these criteria for specific reactor types

  7. American National Standard nuclear data sets for reactor design calculations

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    A standard is presented which identifies and describes the specifications for developing, preparing, and documenting nuclear data sets to be used in reactor design calculations. The specifications include (a) criteria for acceptance of evaluated nuclear data sets, (b) criteria for processing evaluated data and preparation of processed continuous data and averaged data sets, and (c) identification of specific evaluated, processed continuous, and averaged data sets which meet these criteria for specific reactor types

  8. 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.

  9. Setting Standards and Primary School Teachers' Experiences of the Process

    Science.gov (United States)

    Scherman, Vanessa; Zimmerman, Lisa; Howie, Sarah J.; Bosker, Roel

    2014-01-01

    In South Africa, very few standard-setting exercises are carried out in education and, if they are, teachers are not involved in their execution. As a result, there is no clear understanding of what the standard is and how it was arrived at. This situation is compounded when teachers are held accountable when learners do not meet the prescribed…

  10. The Objective Borderline Method: A Probabilistic Method for Standard Setting

    Science.gov (United States)

    Shulruf, Boaz; Poole, Phillippa; Jones, Philip; Wilkinson, Tim

    2015-01-01

    A new probability-based standard setting technique, the Objective Borderline Method (OBM), was introduced recently. This was based on a mathematical model of how test scores relate to student ability. The present study refined the model and tested it using 2500 simulated data-sets. The OBM was feasible to use. On average, the OBM performed well…

  11. Earnings Management and Participation in Accounting Standard-Setting

    NARCIS (Netherlands)

    Koenigsgruber, R.; Palan, S.

    2015-01-01

    Recent economic and political science research suggests that the way public policy is set, and in particular the participation of those affected by it, impacts upon the outcome of the policy. Accounting standard setting has long offered such a possibility to participate via the due process approach

  12. Standard Setting for the Extractive Industries: A Critical Examination

    Directory of Open Access Journals (Sweden)

    Corinne Cortese

    2007-09-01

    Full Text Available This study examines the players involved in the setting of an international accountingstandard for the extractive industries. Publicly available data is used to exposeconnections between key constituents involved in the process, to enhance understandingof how the international accounting standard setting process occurred, and to identifyfuture research possibilities.

  13. 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.

  14. 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

  15. 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)

  16. Standard setting in medical education: fundamental concepts and emerging challenges.

    Science.gov (United States)

    Mortaz Hejri, Sara; Jalili, Mohammad

    2014-01-01

    The process of determining the minimum pass level to separate the competent students from those who do not perform well enough is called standard setting. A large number of methods are widely used to set cut-scores for both written and clinical examinations. There are some challenging issues pertaining to any standard setting procedure. Ignoring these concerns would result in a large dispute regarding the credibility and defensibility of the method. The goal of this review is to provide a basic understanding of the key concepts and challenges in standard setting and to suggest some recommendations to overcome the challenging issues for educators and policymakers who are dealing with decision-making in this field.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Setting standards to determine core clerkship grades in pediatrics.

    Science.gov (United States)

    Dudas, Robert A; Barone, Michael A

    2014-01-01

    One of the greatest challenges for clerkship directors is assigning a final grade and determining the precise point at which a student either passes or fails a clinical clerkship. The process of incorporating both subjective and objective assessment data to provide a final summative grade can be challenging. We describe our experience conducting a standard-setting exercise to set defensible cut points in a 4-tiered grading system in our pediatric clerkship. Using the Hofstee standard-setting approach, 8 faculty members participated in an exercise to establish grade cut points. These faculty members were subsequently surveyed to assess their attitudes toward the standard-setting process as well as their reactions to these newly proposed standards. We applied the new cut points to a historic cohort of 116 Johns Hopkins University School of Medicine students from the academic year 2012-2013 to assess the potential impact on grade distributions. The resultant grading schema would lead to a significant increase in the number of students receiving a failing grade and a decrease in the number of students receiving a grade of honors in a historical cohort. Faculty reported that the Hofstee method was easy to understand and fair. All faculty members thought that grade inflation presently exists within the pediatric clerkship. This study demonstrates that practical standards using the Hofstee method can be set for medical students in a pediatric clerkship in which multiple performance measures are used. Copyright © 2014 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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...

  8. Using PISA as an International Benchmark in Standard Setting.

    Science.gov (United States)

    Phillips, Gary W; Jiang, Tao

    2015-01-01

    This study describes how the Programme for International Student Assessment (PISA) can be used to internationally benchmark state performance standards. The process is accomplished in three steps. First, PISA items are embedded in the administration of the state assessment and calibrated on the state scale. Second, the international item calibrations are then used to link the state scale to the PISA scale through common item linking. Third, the statistical linking results are used as part of the state standard setting process to help standard setting panelists determine how high their state standards need to be in order to be internationally competitive. This process was carried out in Delaware, Hawaii, and Oregon, in three subjects-science, mathematics and reading with initial results reported by Phillips and Jiang (2011). An in depth discussion of methods and results are reported in this article for one subject (mathematics) and one state (Hawaii).

  9. 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.)

  10. Standard setting and quality of assessment: A conceptual approach ...

    African Journals Online (AJOL)

    Quality performance standards and the effect of assessment outcomes are important in the educational milieu, as assessment remains the representative ... not be seen as a methodological process of setting pass/fail cut-off points only, but as a powerful catalyst for quality improvements in HPE by promoting excellence in ...

  11. The Role of Construct Maps in Standard Setting

    Science.gov (United States)

    Kane, Michael T.; Tannenbaum, Richard J.

    2013-01-01

    The authors observe in this commentary that construct maps can help standard-setting panels to make realistic and internally consistent recommendations for performance-level descriptions (PLDs) and cut-scores, but the benefits may not be realized if policymakers do not fully understand the rationale for the recommendations provided by the…

  12. International Review of Frameworks for Standard Setting & Labeling Development

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Nan [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Khanna, Nina Zheng [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Fridley, David [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Romankiewicz, John [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2012-09-01

    As appliance energy efficiency standards and labeling (S&L) programs reach a broader geographic and product scope, a series of sophisticated and complex technical and economic analyses have been adopted by different countries in the world to support and enhance these growing S&L programs. The initial supporting techno-economic and impact analyses for S&L development make up a defined framework and process for setting and developing appropriate appliance efficiency standards and labeling programs. This report reviews in-depth the existing framework for standards setting and label development in the well-established programs of the U.S., Australia and the EU to identify and evaluate major trends in how and why key analyses are undertaken and to understand major similarities and differences between each of the frameworks.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. Comparative evaluation of different methods of setting hygienic standards

    International Nuclear Information System (INIS)

    Ramzaev, P.V.; Rodionova, L.F.; Mashneva, N.I.

    1978-01-01

    Long-term experiments were carried out on white mice and rats to study the relative importance of various procedures used in setting hygienic standards for exposure to adverse factors. A variety of radionuclides and chemical substances were tested and the sensitivities to them of various indices of the bodily state were determined. For each index, statistically significant minimal effective concentrations of substances were established

  19. Radiological error: analysis, standard setting, targeted instruction and teamworking

    International Nuclear Information System (INIS)

    FitzGerald, Richard

    2005-01-01

    Diagnostic radiology does not have objective benchmarks for acceptable levels of missed diagnoses [1]. Until now, data collection of radiological discrepancies has been very time consuming. The culture within the specialty did not encourage it. However, public concern about patient safety is increasing. There have been recent innovations in compiling radiological interpretive discrepancy rates which may facilitate radiological standard setting. However standard setting alone will not optimise radiologists' performance or patient safety. We must use these new techniques in radiological discrepancy detection to stimulate greater knowledge sharing, targeted instruction and teamworking among radiologists. Not all radiological discrepancies are errors. Radiological discrepancy programmes must not be abused as an instrument for discrediting individual radiologists. Discrepancy rates must not be distorted as a weapon in turf battles. Radiological errors may be due to many causes and are often multifactorial. A systems approach to radiological error is required. Meaningful analysis of radiological discrepancies and errors is challenging. Valid standard setting will take time. Meanwhile, we need to develop top-up training, mentoring and rehabilitation programmes. (orig.)

  20. 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.

  1. An operator basis for the Standard Model with an added scalar singlet

    Energy Technology Data Exchange (ETDEWEB)

    Gripaios, Ben [Cavendish Laboratory, J.J. Thomson Avenue, Cambridge (United Kingdom); Sutherland, Dave [Cavendish Laboratory, J.J. Thomson Avenue, Cambridge (United Kingdom); Kavli Institute for Theoretical Physics, UCSB Kohn Hall, Santa Barbara CA (United States)

    2016-08-17

    Motivated by the possible di-gamma resonance at 750 GeV, we present a basis of effective operators for the Standard Model plus a scalar singlet at dimensions 5, 6, and 7. We point out that an earlier list at dimensions 5 and 6 contains two redundant operators at dimension 5.

  2. 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

  3. Introducing the Open Affective Standardized Image Set (OASIS).

    Science.gov (United States)

    Kurdi, Benedek; Lozano, Shayn; Banaji, Mahzarin R

    2017-04-01

    We introduce the Open Affective Standardized Image Set (OASIS), an open-access online stimulus set containing 900 color images depicting a broad spectrum of themes, including humans, animals, objects, and scenes, along with normative ratings on two affective dimensions-valence (i.e., the degree of positive or negative affective response that the image evokes) and arousal (i.e., the intensity of the affective response that the image evokes). The OASIS images were collected from online sources, and valence and arousal ratings were obtained in an online study (total N = 822). The valence and arousal ratings covered much of the circumplex space and were highly reliable and consistent across gender groups. OASIS has four advantages: (a) the stimulus set contains a large number of images in four categories; (b) the data were collected in 2015, and thus OASIS features more current images and reflects more current ratings of valence and arousal than do existing stimulus sets; (c) the OASIS database affords users the ability to interactively explore images by category and ratings; and, most critically, (d) OASIS allows for free use of the images in online and offline research studies, as they are not subject to the copyright restrictions that apply to the International Affective Picture System. The OASIS images, along with normative valence and arousal ratings, are available for download from www.benedekkurdi.com/#oasis or https://db.tt/yYTZYCga .

  4. 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

  5. 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.

  6. 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.

  7. 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...

  8. Working group 1B - basis for the standard-liquid pathway

    International Nuclear Information System (INIS)

    Budnitz, R.

    1993-01-01

    This paper presents a summary of the progress made by working group 1B (Basis for the Standard-Liquid Pathway) during the Electric Power Research Institute's EPRI Workshop on the technical basis of EPA HLW Disposal Criteria, March 1993. This group discussed the containment requirements of Environmental Protection Agency (EPA) standard 40 CFR Part 191. This is a major issue when considering the liquid pathway of contamination during the disposal of high-level radioactive wastes. Questions that were raised by this group were (1) What were the problems with Table 1 of 40 CFR Part 191?; (2) What would be fixed with the person-rem alternative that is offered?; and (3) What would be fixed if Table 1 were supplemented with additional columns for other pathways? Other topics that were touched on were the definition of the term open-quotes reasonable expectationsclose quotes and 100,000 year criteria

  9. 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.

  10. 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.

  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. Calibration of the HAO standard opal filter set. Technical note

    International Nuclear Information System (INIS)

    Streete, J.L.

    1989-10-01

    Solar radiation attenuators called opal filters have been used for several decades to calibrate photographic film in instruments used to measure the brightness of the solar corona. The primary component used in fabricating these filters is opal glass. New measurements of the transmittance of the HAO fundamental standard set of opal filters were begun in September, 1988. Since nearly two decades had passed from the time of the last calibration measurements, there was concern that the transmittance of the filters might have changed. Another motivation for recalibrating the opal filters was the desire to know the transmittance values in spectral regions above and below those used in 1970. The spectral regions chosen were 450 nm, 550 nm, 650 nm and 800 nm. Comparisons of transmittance are made with the previous values, and new transmittance values are given

  15. Conduct of operations: establishing operational focus and setting operational standards

    International Nuclear Information System (INIS)

    Lane, L.; McGuigan, K.

    1998-01-01

    Due to the nature of our business, we have often tended to focus on the technological aspects of the nuclear industry. The focus of this paper is directed towards the importance of addressing the people skills, attitudes, and 'culture' within, and surrounding, our facilities as key areas of improvement. Within Ontario Hydro Nuclear (OLIN) we have developed the terminology 'event free' operation and 'event free' culture. 'Event Free' recognizes errors as a part of human performance. 'Event Free' takes into account human weaknesses, and provides tools (such as standards) to manage, control, and mitigate errors. In essence, 'Event Free' encompasses two concepts: 1. Prevent errors from occurring; 2. If an error is made, catch it before it can affect safe operation of the facility, learn from the error, and ensure that it does not happen again. In addressing these business realities, Ontario Hydro has identified a number of key support mechanisms and corresponding performance standards that are essential for achieving operating excellence and an 'event free' business culture. This paper will discuss two operational aspects of an 'event free' culture, the first being a set of expectations to enhance the culture, and the second an example of cultural change: 1. Operating Standards - establishing clear expectations for human performance in operating staff; 2. Operational Focus - the understanding that, as a nuclear worker, you should consider every task, activity, in fact everything you do in this business, for the potential to affect safe and reliable operation of a nuclear facility. Note that although the term 'Operational' appears in the title, this concept applies to every individual in the nuclear business, from the cleaner, to the Board of Directors, to the external supplier. (author)

  16. Aiming High: Setting Performance Standards for Student Success

    Science.gov (United States)

    Phillips, Gary; Garcia, Alicia N.

    2015-01-01

    Content standards, not performance standards, have been almost the sole focus of state policies and recent conversations about academic standards. Without rigorous content and performance standards, we cannot adequately prepare students for the global marketplace. A recent AIR study shows that state performance standards are consistently low and…

  17. Biologic basis of TCM syndromes and the standardization of syndrome classification

    Directory of Open Access Journals (Sweden)

    Fafeng Cheng

    2014-10-01

    Full Text Available Traditional Chinese medicine (TCM syndrome is an integral and essential component of TCM theory, and goes beyond philosophic concepts. This article reviews the concept of TCM syndromes and summarizes research findings on the biologic foundation of syndromes. In addition, insight is provided into the promotion of standardization of syndrome classification by enforcing uniformity of TCM terminology, applying standardized diagnostic criteria and operating procedures to minimize subjective effects. Also incorporating interdisciplinary approaches such as data mining and structure modeling, as well as integrating findings on biomarker research are discussed. Consideration is made of the fundamental TCM aspects of syndrome elements, symptoms, phenotypic features, as well as diseases, to form an integral process in the diagnostic path. We believe that better understanding of the biologic basis of the TCM syndrome and standardization of syndrome classification will improve diagnosis, which in turn will enhance therapeutic efficacy and disease prognosis.

  18. 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...

  19. 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

  20. 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

  1. 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

  2. Adopting Cut Scores: Post-Standard-Setting Panel Considerations for Decision Makers

    Science.gov (United States)

    Geisinger, Kurt F.; McCormick, Carina M.

    2010-01-01

    Standard-setting studies utilizing procedures such as the Bookmark or Angoff methods are just one component of the complete standard-setting process. Decision makers ultimately must determine what they believe to be the most appropriate standard or cut score to use, employing the input of the standard-setting panelists as one piece of information…

  3. 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.

  4. Estimating the Standard Error of the Judging in a modified-Angoff Standards Setting Procedure

    Directory of Open Access Journals (Sweden)

    Robert G. MacCann

    2004-03-01

    Full Text Available For a modified Angoff standards setting procedure, two methods of calculating the standard error of the..judging were compared. The Central Limit Theorem (CLT method is easy to calculate and uses readily..available data. It estimates the variance of mean cut scores as a function of the variance of cut scores within..a judging group, based on the independent judgements at Stage 1 of the process. Its theoretical drawback is..that it is unable to take account of the effects of collaboration among the judges at Stages 2 and 3. The..second method, an application of equipercentile (EQP equating, relies on the selection of very large stable..candidatures and the standardisation of the raw score distributions to remove effects associated with test..difficulty. The standard error estimates were then empirically obtained from the mean cut score variation..observed over a five year period. For practical purposes, the two methods gave reasonable agreement, with..the CLT method working well for the top band, the band that attracts most public attention. For some..bands in English and Mathematics, the CLT standard error was smaller than the EQP estimate, suggesting..the CLT method be used with caution as an approximate guide only.

  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. 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...

  7. 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.

  8. 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.

  9. Setting standards for planning off duty and audit of practice.

    Science.gov (United States)

    Walker, Linda; Minchin, Anne; Pickard, Jane

    The off duty or rostering system is an important part of managing any ward or department. This article looks at the issues that need to be considered when drawing up and managing off duty. It recommends standards for off-duty planning and shares the results of an audit carried out against some of these standards in one NHS trust.

  10. Disciplining standard-setting : Which approach to choose (if any)?

    NARCIS (Netherlands)

    Kanevskaia, Olia; Jacobs, Kai; Blind, Knut

    In the world of continuous globalization, standards play a crucial role in transnational economic development. Being the drivers of harmonization and innovation, standards do not only facilitate production and exchange in goods and services, but also carry significant policy implications and create

  11. Disciplining standard-setting : Which approach to choose (if any)

    NARCIS (Netherlands)

    Kanevskaia, Olia

    2017-01-01

    In the world of continuous globalization, standards play a crucial role in transnational economic development. Being the drivers of harmonization and innovation, standards do not only facilitate production and exchange in goods and services, but also carry significant policy implications and create

  12. ISO 9001:2000--setting the standard for quality management.

    Science.gov (United States)

    Edelstein, M E

    2001-04-01

    How will you approach the next quality management initiative? This article offers an introduction to the ISO 9001:2000 quality management system standards that can be applied to the HIM industry and how these standards can improve your department's policies and procedures.

  13. A basis for standardized seismic design (SSD) for nuclear power plants/critical facilities

    International Nuclear Information System (INIS)

    O'Hara, T.F.; Jacobson, J.P.; Bellini, F.X.

    1991-01-01

    US Nuclear Power Plants (NPP's) are designed, engineered and constructed to stringent standards. Their seismic adequacy is assured by compliance with regulatory standards and demonstrated by both probabilistic risk assessments (PRAs) and seismic margin studies. However, present seismic siting criteria requires improvement. Proposed changes to siting criteria discussed here will provide a predictable licensing process and a stable regulatory environment. Two recent state-of-the-art studies evaluate the seismic design for all eastern US (EUS) NPP'S: a Lawrence Livermore National Labs study (LLNL, 1989) funded by the NRC and similar research by the Electric Power Research Institute (EPRI, 1989) supported by the utilities. Both confirm that Appendix A 10CFR Part 100 has not provided consistent seismic design levels for all sites. Standardized Seismic Design (SSD) uses a probabilistic framework to accommodate alternative deterministic interpretations. It uses seismic hazard input from EPRI or LLNL to produce consistent bases for future seismic design. SSD combines deterministic and probabilistic insights to provide a comprehensive approach for determining a future site's acceptable seismic design basis

  14. 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

  15. 76 FR 65166 - International Sanitary and Phytosanitary Standard-Setting Activities

    Science.gov (United States)

    2011-10-20

    ... interactive nature of the standard-setting process, we encourage any persons who are interested in the most...] International Sanitary and Phytosanitary Standard-Setting Activities AGENCY: Animal and Plant Health Inspection..., we are informing the public of the international standard- setting activities of the World...

  16. 76 FR 28036 - Request for Comments and Announcement of Workshop on Standard-Setting Issues

    Science.gov (United States)

    2011-05-13

    ... topics to be considered are the disclosure of patent rights during the standard- setting process, the... valuable and pro-competitive character of this kind of legitimate standard-setting process.\\1\\ It can lead..., they commonly require a patent holder to commit that after the standard- setting process is completed...

  17. 78 FR 1826 - International Sanitary and Phytosanitary Standard-Setting Activities

    Science.gov (United States)

    2013-01-09

    ... dynamic and interactive nature of the standard-setting process, we encourage any persons who are...] International Sanitary and Phytosanitary Standard-Setting Activities AGENCY: Animal and Plant Health Inspection..., we are informing the public of the international standard- setting activities of the World...

  18. A collaborative comparison of objective structured clinical examination (OSCE) standard setting methods at Australian medical schools

    NARCIS (Netherlands)

    Malau-Aduli, B.S.; Teague, P.A.; D'Souza, K.; Heal, C.; Turner, R.; Garne, D.L.; Vleuten, C. van der

    2017-01-01

    BACKGROUND: A key issue underpinning the usefulness of the OSCE assessment to medical education is standard setting, but the majority of standard-setting methods remain challenging for performance assessment because they produce varying passing marks. Several studies have compared standard-setting

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. Approaches to setting organism-based ballast water discharge standards

    Science.gov (United States)

    Lee, Henry; Reusser, Deborah A.; Frazier, Melanie

    2013-01-01

    As a vector by which foreign species invade coastal and freshwater waterbodies, ballast water discharge from ships is recognized as a major environmental threat. The International Maritime Organization (IMO) drafted an international treaty establishing ballast water discharge standards based on the number of viable organisms per volume of ballast discharge for different organism size classes. Concerns that the IMO standards are not sufficiently protective have initiated several state and national efforts in the United States to develop more stringent standards. We evaluated seven approaches to establishing discharge standards for the >50-μm size class: (1) expert opinion/management consensus, (2) zero detectable living organisms, (3) natural invasion rates, (4) reaction–diffusion models, (5) population viability analysis (PVA) models, (6) per capita invasion probabilities (PCIP), and (7) experimental studies. Because of the difficulty in synthesizing scientific knowledge in an unbiased and transparent fashion, we recommend the use of quantitative models instead of expert opinion. The actual organism concentration associated with a “zero detectable organisms” standard is defined by the statistical rigor of its monitoring program; thus it is not clear whether such a standard is as stringent as other standards. For several reasons, the natural invasion rate, reaction–diffusion, and experimental approaches are not considered suitable for generating discharge standards. PVA models can be used to predict the likelihood of establishment of introduced species but are limited by a lack of population vital rates for species characteristic of ballast water discharges. Until such rates become available, PVA models are better suited to evaluate relative efficiency of proposed standards rather than predicting probabilities of invasion. The PCIP approach, which is based on historical invasion rates at a regional scale, appears to circumvent many of the indicated problems

  5. 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.

  6. 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.

  7. A Meta-Analytic Assessment of Empirical Differences in Standard Setting Procedures.

    Science.gov (United States)

    Bontempo, Brian D.; Marks, Casimer M.; Karabatsos, George

    Using meta-analysis, this research takes a look at studies included in a meta-analysis by R. Jaeger (1989) that compared the cut score set by one standard setting method with that set by another. This meta-analysis looks beyond Jaeger's studies to select 10 from the research literature. Each compared at least two types of standard setting method.…

  8. Equipment qualification NPP in harsh environmental conditions occurring during a design basis accident (DBA), beyond design basis accident (BDBA) in accordance with international standards

    International Nuclear Information System (INIS)

    Aparkin, F.M.; )

    2015-01-01

    The purpose of Equipment Qualification NPP (EQ), safety-related electrical and mechanical equipment is: reducing the probability of equipment failure common cause in connection with the harsh environmental conditions at the design and beyond design basis accidents; to demonstrate that the safety related electrical and mechanical equipment can perform their specific functions related safety in harsh environments in design and beyond design basis accidents. Presentation defines methodological bases of practical EQ in accordance with international standards used for PWR, for demonstration the performance of its safety functions, which subjected to abnormal and accident conditions, including loss of ventilation systems, breaks feed waterline, steam and cooling water main system and seismic events [ru

  9. Setting ambient air quality standards for particulate matter

    International Nuclear Information System (INIS)

    McClellan, Roger O.

    2002-01-01

    Ambient air particulate matter (PM), unspecified as to chemical composition, is of concern because of its health effects. Air quality standards for PM have been established in many countries. The earliest standards were based on threshold models and use of a margin of safety. Initially, standards were based on the mass of total suspended material. In the 1980s a shift to a size-specific standard, PM 10 , began. PM 10 is the fraction of PM captured with 50% efficiency at 10 μm and greater efficiency at smaller sizes. In the late 1990s, standards were proposed for PM 2.5 , which is captured with 50% efficiency at 2.5 μm. The standards for PM are based almost exclusively on human epidemiological data, with laboratory animal and in vitro data used in a supporting role. During the 1990s, new statistical tools began to be used and demonstrated an association between increased PM and an increase in cardiorespiratory morbidity and mortality. The analyses are complicated by the effects of other pollutants such as ozone. Effects have been observed down to 10-20 μg of PM 10 per cubic meter, levels equal to or below background in many parts of the world. In many studies there has been no evidence of a threshold. In the absence of a threshold, a critical issue becomes how to determine how low is low enough? This paper reviews the current literature on PM health effects and suggests research avenues that may yield data which, combined with public policy considerations, may be able to address the issue of 'how low is low enough?'

  10. Setting the Standards for Sessional Staff: Quality Learning and Teaching

    Science.gov (United States)

    Harvey, Marina

    2013-01-01

    Across the Australian Higher Education sector a focus on quality is driving a new paradigm for learning and teaching: quality standards. One challenge is to engage all academics with this progress towards systematic quality enhancement and assurance. Sessional staff, who provide most of the face-to-face teaching in Australian universities, remain…

  11. Toward collecting a standardized nursing data set across the continuum: case of adult care nurse practitioner setting.

    Science.gov (United States)

    Keenan, Gail; Stocker, Julia; Barkauskas, Violet; Treder, Marcy; Heath, Crystal

    2003-01-01

    Viable strategies are needed to move toward collection of a standardized nursing data set across settings for eventual use in examining nursing effectiveness. One strategy is to introduce potential nurse adopters to subsets of valid setting-specific standardized terms and measures to support adoption and initial implementation. The present study was designed to identify the "most clinically useful" NANDA (North American Nursing Diagnoses Association) diagnoses, NOC (Nursing Outcomes Classifications) outcomes, and NIC (Nursing Intervention Classifications) interventions pertinent to the adult care nurse practitioner setting. Ultimately, clinicians must recognize, however, that they will need to use additional terms and measures outside the subsets to more fully describe the nursing care provided.

  12. Approaches to handling uncertainty when setting environmental exposure standards

    DEFF Research Database (Denmark)

    Budtz-Jørgensen, Esben; Keiding, Niels; Grandjean, Philippe

    2009-01-01

    attempts for the first time to cover the full range of issues related to model uncertainties, from the subjectivity of setting up a conceptual model of a given system, all the way to communicating the nature of model uncertainties to non-scientists and accounting for model uncertainties in policy decisions...

  13. 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

  14. Standards for radiology interpretation and reporting in the emergency setting

    International Nuclear Information System (INIS)

    Berlin, Leonard

    2008-01-01

    The radiologist plays a pivotal role in the medical management of injury and illness in both adults and children in the emergency setting. Although the primary role of the radiologist is to assist in establishing a correct diagnosis, the radiologist's responsibility goes well beyond simple detection and documentation. Communication is fundamental in assuring delivery of quality and safe health care. Lines of communication are most easily recognized between the radiologist and the patient's health-care provider (e.g., emergency department physician), but they are also becoming increasingly important between the radiologist and the patient. Radiologists must be familiar with both local and national practice guidelines related to the care of the patient in the emergency setting, in relation to both construction of the radiology report and appropriate communication of the results of radiologic studies. Familiarity with these aspects of the radiologists' responsibilities maximizes the chance of successful outcomes and minimizes the frequency of (and liability for) malpractice. (orig.)

  15. Radio Astronomers Set New Standard for Accurate Cosmic Distance Measurement

    Science.gov (United States)

    1999-06-01

    estimate of the age of the universe. In order to do this, you need an unambiguous, absolute distance to another galaxy. We are pleased that the NSF's VLBA has for the first time determined such a distance, and thus provided the calibration standard astronomers have always sought in their quest for accurate distances beyond the Milky Way," said Morris Aizenman, Executive Officer of the National Science Foundation's (NSF) Division of Astronomical Sciences. "For astronomers, this measurement is the golden meter stick in the glass case," Aizenman added. The international team of astronomers used the VLBA to measure directly the motion of gas orbiting what is generally agreed to be a supermassive black hole at the heart of NGC 4258. The orbiting gas forms a warped disk, nearly two light-years in diameter, surrounding the black hole. The gas in the disk includes water vapor, which, in parts of the disk, acts as a natural amplifier of microwave radio emission. The regions that amplify radio emission are called masers, and work in a manner similar to the way a laser amplifies light emission. Determining the distance to NGC 4258 required measuring motions of extremely small shifts in position of these masers as they rotate around the black hole. This is equivalent to measuring an angle one ten-thousandth the width of a human hair held at arm's length. "The VLBA is the only instrument in the world that could do this," said Moran. "This work is the culmination of a 20-year effort at the Harvard Smithsonian Center for Astrophysics to measure distances to cosmic masers," said Irwin Shapiro, Director of that institution. Collection of the data for the NGC 4258 project was begun in 1994 and was part of Herrnstein's Ph.D dissertation at Harvard University. Previous observations with the VLBA allowed the scientists to measure the speed at which the gas is orbiting the black hole, some 39 million times more massive than the Sun. They did this by observing the amount of change in the

  16. A Standardized Reference Data Set for Vertebrate Taxon Name Resolution.

    Science.gov (United States)

    Zermoglio, Paula F; Guralnick, Robert P; Wieczorek, John R

    2016-01-01

    Taxonomic names associated with digitized biocollections labels have flooded into repositories such as GBIF, iDigBio and VertNet. The names on these labels are often misspelled, out of date, or present other problems, as they were often captured only once during accessioning of specimens, or have a history of label changes without clear provenance. Before records are reliably usable in research, it is critical that these issues be addressed. However, still missing is an assessment of the scope of the problem, the effort needed to solve it, and a way to improve effectiveness of tools developed to aid the process. We present a carefully human-vetted analysis of 1000 verbatim scientific names taken at random from those published via the data aggregator VertNet, providing the first rigorously reviewed, reference validation data set. In addition to characterizing formatting problems, human vetting focused on detecting misspelling, synonymy, and the incorrect use of Darwin Core. Our results reveal a sobering view of the challenge ahead, as less than 47% of name strings were found to be currently valid. More optimistically, nearly 97% of name combinations could be resolved to a currently valid name, suggesting that computer-aided approaches may provide feasible means to improve digitized content. Finally, we associated names back to biocollections records and fit logistic models to test potential drivers of issues. A set of candidate variables (geographic region, year collected, higher-level clade, and the institutional digitally accessible data volume) and their 2-way interactions all predict the probability of records having taxon name issues, based on model selection approaches. We strongly encourage further experiments to use this reference data set as a means to compare automated or computer-aided taxon name tools for their ability to resolve and improve the existing wealth of legacy data.

  17. A Standardized Reference Data Set for Vertebrate Taxon Name Resolution.

    Directory of Open Access Journals (Sweden)

    Paula F Zermoglio

    Full Text Available Taxonomic names associated with digitized biocollections labels have flooded into repositories such as GBIF, iDigBio and VertNet. The names on these labels are often misspelled, out of date, or present other problems, as they were often captured only once during accessioning of specimens, or have a history of label changes without clear provenance. Before records are reliably usable in research, it is critical that these issues be addressed. However, still missing is an assessment of the scope of the problem, the effort needed to solve it, and a way to improve effectiveness of tools developed to aid the process. We present a carefully human-vetted analysis of 1000 verbatim scientific names taken at random from those published via the data aggregator VertNet, providing the first rigorously reviewed, reference validation data set. In addition to characterizing formatting problems, human vetting focused on detecting misspelling, synonymy, and the incorrect use of Darwin Core. Our results reveal a sobering view of the challenge ahead, as less than 47% of name strings were found to be currently valid. More optimistically, nearly 97% of name combinations could be resolved to a currently valid name, suggesting that computer-aided approaches may provide feasible means to improve digitized content. Finally, we associated names back to biocollections records and fit logistic models to test potential drivers of issues. A set of candidate variables (geographic region, year collected, higher-level clade, and the institutional digitally accessible data volume and their 2-way interactions all predict the probability of records having taxon name issues, based on model selection approaches. We strongly encourage further experiments to use this reference data set as a means to compare automated or computer-aided taxon name tools for their ability to resolve and improve the existing wealth of legacy data.

  18. Standards for radiology interpretation and reporting in the emergency setting

    Energy Technology Data Exchange (ETDEWEB)

    Berlin, Leonard [Rush North Shore Medical Center, Department of Radiology, Skokie, IL (United States)

    2008-11-15

    The radiologist plays a pivotal role in the medical management of injury and illness in both adults and children in the emergency setting. Although the primary role of the radiologist is to assist in establishing a correct diagnosis, the radiologist's responsibility goes well beyond simple detection and documentation. Communication is fundamental in assuring delivery of quality and safe health care. Lines of communication are most easily recognized between the radiologist and the patient's health-care provider (e.g., emergency department physician), but they are also becoming increasingly important between the radiologist and the patient. Radiologists must be familiar with both local and national practice guidelines related to the care of the patient in the emergency setting, in relation to both construction of the radiology report and appropriate communication of the results of radiologic studies. Familiarity with these aspects of the radiologists' responsibilities maximizes the chance of successful outcomes and minimizes the frequency of (and liability for) malpractice. (orig.)

  19. 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

  20. NA62 Gigatracker sets new standards for silicon detectors

    CERN Multimedia

    CERN Bulletin

    2011-01-01

    The NA62 experiment should start collecting its first data (technical run) in a little over one year. At the heart of the experiment is the Gigatracker, a newly conceived silicon pixel detector, whose job is to measure the arrival time and the position of the incoming beam particles. The demonstration detector has recently shown a time resolution of 175 picoseconds, an unprecedented record in the field of silicon pixel detectors.   The Gigatracker prototype. A 115 metre long vacuum tank, a brand new set of detectors surrounding it and an extremely rare decay to study: this is the new NA62 detector, foreseen to be installed in the SPS North Area in 2012. “We will study a very rare decay of the K+. Such a decay is sensitive to contributions coming from new particles and therefore represents a powerful way of searching for new physics, complementary to the direct approach of the LHC detectors,” explains Augusto Ceccucci, NA62 spokesperson. The particles from the SPS accelerator a...

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. Standard fire behavior fuel models: a comprehensive set for use with Rothermel's surface fire spread model

    Science.gov (United States)

    Joe H. Scott; Robert E. Burgan

    2005-01-01

    This report describes a new set of standard fire behavior fuel models for use with Rothermel's surface fire spread model and the relationship of the new set to the original set of 13 fire behavior fuel models. To assist with transition to using the new fuel models, a fuel model selection guide, fuel model crosswalk, and set of fuel model photos are provided.

  6. 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

  7. 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

  8. 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

  9. The role of Health Impact Assessment in the setting of air quality standards: An Australian perspective

    Energy Technology Data Exchange (ETDEWEB)

    Spickett, Jeffery, E-mail: J.Spickett@curtin.edu.au [WHO Collaborating Centre for Environmental Health Impact Assessment (Australia); Faculty of Health Sciences, School of Public Health, Curtin University, Perth, Western Australia (Australia); Katscherian, Dianne [WHO Collaborating Centre for Environmental Health Impact Assessment (Australia); Faculty of Health Sciences, School of Public Health, Curtin University, Perth, Western Australia (Australia); Harris, Patrick [CHETRE — UNSW Research Centre for Primary Health Care and Equity, University of New South Wales (Australia)

    2013-11-15

    The approaches used for setting or reviewing air quality standards vary from country to country. The purpose of this research was to consider the potential to improve decision-making through integration of HIA into the processes to review and set air quality standards used in Australia. To assess the value of HIA in this policy process, its strengths and weaknesses were evaluated aligned with review of international processes for setting air quality standards. Air quality standard setting programmes elsewhere have either used HIA or have amalgamated and incorporated factors normally found within HIA frameworks. They clearly demonstrate the value of a formalised HIA process for setting air quality standards in Australia. The following elements should be taken into consideration when using HIA in standard setting. (a) The adequacy of a mainly technical approach in current standard setting procedures to consider social determinants of health. (b) The importance of risk assessment criteria and information within the HIA process. The assessment of risk should consider equity, the distribution of variations in air quality in different locations and the potential impacts on health. (c) The uncertainties in extrapolating evidence from one population to another or to subpopulations, especially the more vulnerable, due to differing environmental factors and population variables. (d) The significance of communication with all potential stakeholders on issues associated with the management of air quality. In Australia there is also an opportunity for HIA to be used in conjunction with the NEPM to develop local air quality standard measures. The outcomes of this research indicated that the use of HIA for air quality standard setting at the national and local levels would prove advantageous. -- Highlights: • Health Impact Assessment framework has been applied to a policy development process. • HIA process was evaluated for application in air quality standard setting.

  10. Setting standards and detecting intrajudge inconsistency using interdependent evaluation of response alternatives

    NARCIS (Netherlands)

    Chang, Lei; van der Linden, Willem J.; Vos, Hendrik J.

    2004-01-01

    This article introduces a new test-centered standard-setting method as well as a procedure to detect intrajudge inconsistency of the method. The standard-setting method that is based on interdependent evaluations of alternative responses has judges closely evaluate the process that examinees use to

  11. 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…

  12. A Qualitative Investigation of Panelists' Experiences of Standard Setting Using Two Variations of the Bookmark Method

    Science.gov (United States)

    Hein, Serge F.; Skaggs, Gary E.

    2009-01-01

    Only a small number of qualitative studies have investigated panelists' experiences during standard-setting activities or the thought processes associated with panelists' actions. This qualitative study involved an examination of the experiences of 11 panelists who participated in a prior, one-day standard-setting meeting in which either the…

  13. 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%.

  14. Standard setting of objective structured practical examination by modified Angoff method: A pilot study.

    Science.gov (United States)

    Kamath, M Ganesh; Pallath, Vinod; Ramnarayan, K; Kamath, Asha; Torke, Sharmila; Gonsalves, James

    2016-01-01

    The undergraduate curriculum at our institution is divided system-wise into four blocks, each block ending with theory and objective structured practical examination (OSPE). The OSPE in Physiology consists of 12 stations, and a conventional minimum score to qualify is 50%. We aimed to incorporate standard setting using the modified Angoff method in OSPE to differentiate the competent from the non-competent student and to explore the possibility of introducing standard setting in Physiology OSPE at our institution. Experts rated the OSPE using the modified Angoff method to obtain the standard set cut-off in two of the four blocks. We assessed the OSPE marks of 110 first year medical students. Chi-square test was used to compare the number of students who scored less than standard set cut-off and conventional cut-off; correlation coefficient was used to assess the relation between OSPE and theory marks in both blocks. Feedback was obtained from the experts. The standard set was 62% and 67% for blocks II and III, respectively. The use of standard set cut-off resulted in 16.3% (n=18) and 22.7% (n=25) students being declared unsuccessful in blocks II and III, respectively. Comparison between the number, who scored less than standard set and conventional cut-off was statistically significant (p=0.001). The correlation coefficient was 0.65 (p=0.003) and 0.52 (p<0.001) in blocks II and III, respectively. The experts welcomed the idea of standard setting. Standard setting helped in differentiating the competent from the non-competent student, indicating that standard setting enhances the quality of OSPE as an assessment tool.

  15. 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...

  16. 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.

  17. Basis to demonstrate compliance with the National Emission Standards for Hazardous Air Pollutants for the Stand-off Experiments Range

    Energy Technology Data Exchange (ETDEWEB)

    Michael Sandvig

    2011-01-01

    The purpose of this report is to provide the basis and the documentation to demonstrate general compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPS) 40 CFR 61 Subpart H, “National Emission Standards for Emissions of Radionuclides Other Than Radon from Department of Energy Facilities,” (the Standard) for outdoor linear accelerator operations at the Idaho National Laboratory (INL) Stand-off Experiments Range (SOX). The intent of this report is to inform and gain acceptance of this methodology from the governmental bodies regulating the INL.

  18. Using the Many-Facet Rasch Model to Evaluate Standard-Setting Judgments: Setting Performance Standards for Advanced Placement® Examinations

    Science.gov (United States)

    Kaliski, Pamela; Wind, Stefanie A.; Engelhard, George, Jr.; Morgan, Deanna; Plake, Barbara; Reshetar, Rosemary

    2012-01-01

    The Many-Facet Rasch (MFR) Model is traditionally used to evaluate the quality of ratings on constructed response assessments; however, it can also be used to evaluate the quality of judgments from panel-based standard setting procedures. The current study illustrates the use of the MFR Model by examining the quality of ratings obtained from a…

  19. 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.

  20. Common basis of establishing safety standards and other safety decision-making levels for different sources of health risk

    International Nuclear Information System (INIS)

    Demin, V.F.

    2002-01-01

    Current approaches in establishing safety standards and other decision-making levels for different sources of health risk are critically analysed. To have a common basis for this decision-making a specific risk index R is recommended. In the common sense R is quantitatively defined as LLE caused by the annual exposure to the risk source considered: R = annual exposure, damage (LLE) from the exposure unit. This common definition is also rewritten in specific forms for a set of different risk sources (ionising radiation, chemical pollutants, etc): for different risk sources the exposure can be measured with different quantities (the probability of death, the exposure dose, etc.). R is relative LLE: LLE in years referred to 1 year under the risk. The dimension of this value is [year/year]. In the statistical sense R is conditionally the share of the year, which is lost due to exposure to a risk source during this year. In this sense R can be called as the relative damage. Really lifetime years are lost after the exposure. R can be in some conditional sense considered as a dimensionless quantity. General safety standards R n for the public and occupational workers have been suggested in terms of this index: R n = 0.0007 and 0.01 accordingly. Secondary safety standards are derived for a number of risk sources (ionising radiation, environmental chemical pollutants, etc). Values of R n are chosen in such a way that to have the secondary radiation BSS being equivalent to the current one's. Other general and derived levels for safety decision-making are also proposed including the de-minimus levels. Their possible dependence on the national or regional health-demographic data (HDD) is considered. Such issues as the ways of the integration and averaging of risk indices considered through the national or regional HDD for different risk sources and the use of non-threshold linear exposure - response relationships for ionising radiation and chemical pollutants are analysed

  1. Protein folding: Defining a standard set of experimental conditions and a preliminary kinetic data set of two-state proteins

    DEFF Research Database (Denmark)

    Maxwell, Karen L.; Wildes, D.; Zarrine-Afsar, A.

    2005-01-01

    Recent years have seen the publication of both empirical and theoretical relationships predicting the rates with which proteins fold. Our ability to test and refine these relationships has been limited, however, by a variety of difficulties associated with the comparison of folding and unfolding ...... efforts is to set uniform standards for the experimental community and to initiate an accumulating, self-consistent data set that will aid ongoing efforts to understand the folding process....... constructs. The lack of a single approach to data analysis and error estimation, or even of a common set of units and reporting standards, further hinders comparative studies of folding. In an effort to overcome these problems, we define here a consensus set of experimental conditions (25°C at pH 7.0, 50 m...... rates, thermodynamics, and structure across diverse sets of proteins. These difficulties include the wide, potentially confounding range of experimental conditions and methods employed to date and the difficulty of obtaining correct and complete sequence and structural details for the characterized...

  2. 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.

  3. NEG and NIOSH basis for an occupational health standard: 2-diethylaminoethanol

    Energy Technology Data Exchange (ETDEWEB)

    Toren, K.

    1996-05-01

    Health effects associated with occupational exposure to 2-diethylaminoethanol (DEAE) were reviewed as part of the agreement between NIOSH and the Nordic Expert Group for Criteria Documentation of Health Risks from Chemicals to exchange information and expertise in the area of occupational safety and health to provide a scientific basis for the establishment of recommended occupational exposure limits. The occurrence, use, pharmacokinetics, toxicology, immunotoxicity and organ systems, mutagenic, genotoxic, carcinogenic, and reproductive effects of DEAE were reviewed. Three reports of clusters of cases associated with DEAE exposure were described, as were studies examining the dose response relationship of DEAE in humans and experimental animals.

  4. Factors Influencing the Degree of Intrajudge Consistency during the Standard Setting Process.

    Science.gov (United States)

    Plake, Barbara S.; And Others

    The accuracy of standards obtained from judgmental methods is dependent on the quality of the judgments made by experts throughout the standard setting process. One important dimension of the quality of these judgments is the consistency of the judges' perceptions with item performance of minimally competent candidates. Several interrelated…

  5. Standard setting in the teaching and learning process in the Kenya ...

    African Journals Online (AJOL)

    Standards are set at different levels to govern different requirements that collectively add up to the ingredients of quality education of a child. This study investigated whether or not there are quantitative standards of achievement for guiding teaching and learning in the school system in Kenya. It also investigated teachers' ...

  6. Comparing Panelists' Understanding of Standard Setting across Multiple Levels of an Alternate Science Assessment

    Science.gov (United States)

    Hansen, Mary A.; Lyon, Steven R.; Heh, Peter; Zigmond, Naomi

    2013-01-01

    Large-scale assessment programs, including alternate assessments based on alternate achievement standards (AA-AAS), must provide evidence of technical quality and validity. This study provides information about the technical quality of one AA-AAS by evaluating the standard setting for the science component. The assessment was designed to have…

  7. Global rule-setting for business: A critical analysis of multi-stakeholder standards

    NARCIS (Netherlands)

    Fransen, L.W.; Kolk, A.

    2007-01-01

    In the field of global rule-setting for responsible business behaviour, multi-stakeholder standards have emerged in recent years because of their potential for effective consensus-building, knowledgesharing and interest representation. Proponents also hold that multistakeholder standards could

  8. Knowledge about plant is basis for successful cultivation : new international standard handbook on plant physiology

    NARCIS (Netherlands)

    Esch, van H.; Heuvelink, E.; Kierkels, T.

    2015-01-01

    ‘Plant physiology in Greenhouses’ is the new international standard handbook on plant knowledge for the commercial greenhouse grower. It relates the functioning of the plant to the rapid developments in greenhouse cultivation. It is based on a continuing series of plant physiology articles published

  9. NEURO-SYSTEM OF AIMING AND STABILIZING WITH A REGULATOR ON THE BASIS OF STANDARD MODEL MODEL REFERENCE CONTROLLER

    Directory of Open Access Journals (Sweden)

    B.I. Kuznetsov

    2015-08-01

    Full Text Available The aim of this work is the synthesis of neural network aiming and stabilization system for the special equipment of moving objects with neuro-controller on the basis of standard model and performance comparison of the neural network system with the neural network predictive control. Build a block diagram of the neural network aiming and stabilization system, based on the subject control principle with PD-regulator in the position loop and with neuro-controller on the basis of standard model in the in the velocity loop. The neuro-controller on the basis of standard model Model Reference Controller is synthesized in the MATLAB Neural Network Toolbox and system simulation is performed. The studies show that the transient state variables of the system are oscillatory. Therefore, the neuro-controller with the prediction NN Predictive Controller should be used for aiming and stabilizing system to provide high dynamic characteristics achieved at the cost of higher complexity and computational cost.

  10. Revisions to the 2009 American Society of Clinical Oncology/Oncology Nursing Society chemotherapy administration safety standards: expanding the scope to include inpatient settings.

    Science.gov (United States)

    Jacobson, Joseph O; Polovich, Martha; Gilmore, Terry R; Schulmeister, Lisa; Esper, Peg; Lefebvre, Kristine B; Neuss, Michael N

    2012-01-01

    In November 2009, the American Society of Clinical Oncology (ASCO) and the Oncology Nursing Society (ONS) jointly published a set of 31 voluntary chemotherapy safety standards for adult patients with cancer, as the end result of a highly structured, multistakeholder process. The standards were explicitly created to address patient safety in the administration of parenteral and oral chemotherapeutic agents in outpatient oncology settings. In January 2011, a workgroup consisting of ASCO and ONS members was convened to review feedback received since publication of the standards, to address interim changes in practice, and to modify the standards as needed. The most significant change to the standards is to extend their scope to the inpatient setting. This change reflects the conviction that the same standards for chemotherapy administration safety should apply in all settings. The proposed set of standards has been approved by the Board of Directors for both ASCO and ONS and has been posted for public comment. Comments were used as the basis for final editing of the revised standards. The workgroup recognizes that the safety of oral chemotherapy usage, nononcology medication reconciliation, and home chemotherapy administration are not adequately addressed in the original or revised standards. A separate process, cosponsored by ASCO and ONS, will address the development of safety standards for these areas.

  11. 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.

  12. 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.

  13. A collaborative comparison of objective structured clinical examination (OSCE) standard setting methods at Australian medical schools.

    Science.gov (United States)

    Malau-Aduli, Bunmi Sherifat; Teague, Peta-Ann; D'Souza, Karen; Heal, Clare; Turner, Richard; Garne, David L; van der Vleuten, Cees

    2017-12-01

    A key issue underpinning the usefulness of the OSCE assessment to medical education is standard setting, but the majority of standard-setting methods remain challenging for performance assessment because they produce varying passing marks. Several studies have compared standard-setting methods; however, most of these studies are limited by their experimental scope, or use data on examinee performance at a single OSCE station or from a single medical school. This collaborative study between 10 Australian medical schools investigated the effect of standard-setting methods on OSCE cut scores and failure rates. This research used 5256 examinee scores from seven shared OSCE stations to calculate cut scores and failure rates using two different compromise standard-setting methods, namely the Borderline Regression and Cohen's methods. The results of this study indicate that Cohen's method yields similar outcomes to the Borderline Regression method, particularly for large examinee cohort sizes. However, with lower examinee numbers on a station, the Borderline Regression method resulted in higher cut scores and larger difference margins in the failure rates. Cohen's method yields similar outcomes as the Borderline Regression method and its application for benchmarking purposes and in resource-limited settings is justifiable, particularly with large examinee numbers.

  14. 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.

  15. 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.

  16. Science and art of setting performance standards and cutoff scores in kinesiology.

    Science.gov (United States)

    Zhu, Weimo

    2013-12-01

    Setting standards and cutoff scores is essential to any measurement and evaluation practice. Two evaluation frameworks, norm-referenced (NR) and criterion-referenced (CR), have often been used for setting standards. Although setting fitness standards based on the NR evaluation is relatively easy as long as a nationally representative sample can be obtained and regularly updated, it has several limitations-namely, time dependency, population dependence, discouraging low-level performers, and favoring advantaged or punishing disadvantaged individuals. Fortunately, these limitations can be significantly eliminated by employing the CR evaluation, which was introduced to kinesiology by Safrit and colleagues in the 1980s and has been successfully applied to some practical problems (e.g., set health-related fitness standards for FITNESSGRAM). Yet, the CR evaluation has its own challenges, e.g., selecting an appropriate measure for a criterion behavior, when the expected relationship between the criterion behavior and a predictive measure is not clear, and when standards are not consistent among multiple field measures. Some of these challenges can be addressed by employing the latest statistical methods (e.g., test equating). This article provides a comprehensive review of the science and art of setting standards and cutoff scores in kinesiology. After a brief historical overview of the standard-setting practice in kinesiology is presented, a case analysis of a successful CR evaluation, along with related challenges, is described. Lessons learned from past and current practice as well as how to develop a defendable standard are described. Finally, future research needs and directions are outlined.

  17. Report on the Observance of Standards and Codes, Accounting and Auditing : Module B - Institutional Framework for Corporate Financial Reporting, B.9 Auditing Standard-setting

    OpenAIRE

    World Bank

    2017-01-01

    The purpose of this report is to gain an understanding of the governance arrangements, procedures, and capacity for setting auditing standards in a jurisdiction, covering: (a) the adoption of International Standards on Auditing (ISA) where applicable, and (b) national auditing standards. The questions are based on examples of good practice followed by international standard-setting bodies....

  18. How to set the bar in competency-based medical education: standard setting after an Objective Structured Clinical Examination (OSCE).

    Science.gov (United States)

    Dwyer, Tim; Wright, Sarah; Kulasegaram, Kulamakan Mahan; Theodoropoulos, John; Chahal, Jaskarndip; Wasserstein, David; Ringsted, Charlotte; Hodges, Brian; Ogilvie-Harris, Darrell

    2016-01-04

    The goal of the Objective Structured Clinical Examination (OSCE) in Competency-based Medical Education (CBME) is to establish a minimal level of competence. The purpose of this study was to 1) to determine the credibility and acceptability of the modified Angoff method of standard setting in the setting of CBME, using the Borderline Group (BG) method and the Borderline Regression (BLR) method as a reference standard; 2) to determine if it is feasible to set different standards for junior and senior residents, and 3) to determine the desired characteristics of the judges applying the modified Angoff method. The results of a previous OSCE study (21 junior residents, 18 senior residents, and six fellows) were used. Three groups of judges performed the modified Angoff method for both junior and senior residents: 1) sports medicine surgeons, 2) non-sports medicine orthopedic surgeons, and 3) sports fellows. Judges defined a borderline resident as a resident performing at a level between competent and a novice at each station. For each checklist item, the judges answered yes or no for "will the borderline/advanced beginner examinee respond correctly to this item?" The pass mark was calculated by averaging the scores. This pass mark was compared to that created using both the BG and the BLR methods. A paired t-test showed that all examiner groups expected senior residents to get significantly higher percentage of checklist items correct compared to junior residents (all stations p cut scores determined by the modified Angoff method and the BG/BLR method. For junior residents, the cut scores determined by the modified Angoff method were lower than the cut scores determined by the BG/BLR Method (all p marks for senior and junior residents. The use of this method enables both senior and junior residents to sit the same OSCE, preferable in the regular assessment environment of CBME.

  19. Ergonomic Analysis of Tricycle Sidecar Seats: Basis for Proposed Standard Design

    Directory of Open Access Journals (Sweden)

    Michael C. Godoy

    2015-12-01

    Full Text Available Ergonomics (also called human factors engineering is the study of human characteristics for the appropriate design of the living and work environment. It is applied in various industrial areas which includes transportation.Tricycle being one of the most common means of public transportation in Lipa City has various adaptations to suit the culture, and environment. The purpose of this study is to analyze the variability in design of the tricycles in Lipa City, Philippines and propose a standard ergonomically designed tricycle sidecar seat for a greater population. The study was conducted at 26 tricycle terminals with 232 tricycle samples within Lipa City proper including the public market area where 400 commuters were given questionnaires to determine the risk factors associated with the existing tricycle sidecar seat design. Anthropometric measurements of 100 males and 100 female commuters were obtained together with the sidecar dimensions of 232 tricycles to substantiate the observed variations in design. Using the design for the average and design for the extremes, it was found out that most of the tricycles in Lipa City, Philippines have inappropriate inclined seat and lowered sidecar seat pan height which can result to leg and abdominal pain; narrowed seat pan depth which caused pressure on buttocks and legs; narrowed backrest width which can cause upper and low back pain; low backrest height that can pose upper back pain; which can also result to abdominal pain; inclined backrest and limited vertical clearance which can cause upper back pain and neck pain. The researcher proposed a sidecar seat design standard which can be used by the Land Transportation Office, and Land Transportation Franchising and Regulatory Board to provide ease, comfort, and convenience to the passengers.

  20. A Mapmark method of standard setting as implemented for the National Assessment Governing Board.

    Science.gov (United States)

    Schulz, E Matthew; Mitzel, Howard C

    2011-01-01

    This article describes a Mapmark standard setting procedure, developed under contract with the National Assessment Governing Board (NAGB). The procedure enhances the bookmark method with spatially representative item maps, holistic feedback, and an emphasis on independent judgment. A rationale for these enhancements, and the bookmark method, is presented, followed by a detailed description of the materials and procedures used in a meeting to set standards for the 2005 National Assessment of Educational Progress (NAEP) in Grade 12 mathematics. The use of difficulty-ordered content domains to provide holistic feedback is a particularly novel feature of the method. Process evaluation results comparing Mapmark to Anghoff-based methods previously used for NAEP standard setting are also presented.

  1. Development of an International Classification of Functioning, Disability and Health (ICF)-based standard set to describe the impact of joint contractures on participation of older individuals in geriatric care settings.

    Science.gov (United States)

    Bartoszek, Gabriele; Fischer, Uli; von Clarenau, Stephan Clarmann; Grill, Eva; Mau, Wilfried; Meyer, Gabriele; Strobl, Ralf; Thiesemann, Rüdiger; Nadolny, Stephan; Müller, Martin

    2015-01-01

    Joint contractures are characterized as impairment of the physiological movement of joints due to deformity, disuse or pain and have major impact especially for older individuals in geriatric care. Some measures for the assessment of the impact of joint contractures exist. However, there is no consensus on which aspects should constantly be measured. Our objective was to develop a standard-set based on the ICF for describing functioning and disability in older individuals with joint contractures in geriatric care settings, giving special emphasis to activities and participation. The ICF-based standard set was developed in a formal decision-making and consensus process and based on an adapted version of the protocol to develop ICF Core Sets. These are sets of categories from the ICF, serving as standards for the assessment, communication and reporting of functioning and health for clinical studies, clinical encounters and multi-professional comprehensive assessment and management. Twenty-three experts from Germany and Switzerland selected 105 categories of the ICF component Activities and Participation for the ICF-based standard set. The largest number of categories was selected from the chapter Mobility (50 categories, 47.6%). The standard set for older individuals with joint contractures provides health professionals with a standard for describing patients' activity limitations and participation restrictions. The standard set also provides a common basis for the development of patient-centered measures and intervention programs. The preliminary version of the ICF-based standard set will be tested in subsequent studies with regard to its psychometric properties. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  2. Development, improvement and calibration of neutronic reaction rates measurements: elaboration of a standard techniques basis

    International Nuclear Information System (INIS)

    Hudelot, J.P.

    1998-06-01

    In order to improve and to validate the neutronics calculation schemes, perfecting integral measurements of neutronics parameters is necessary. This thesis focuses on the conception, the improvement and the development of neutronics reaction rates measurements, and aims at building a base of standard techniques. Two subjects are discussed. The first one deals with direct measurements by fission chambers. A short presentation of the different usual techniques is given. Then, those last ones are applied through the example of doubling time measurements on the EOLE facility during the MISTRAL 1 experimental programme. Two calibration devices of fission chambers are developed: a thermal column located in the central part of the MINERVE facility, and a calibration cell using a pulsed high flux neutron generator and based on the discrimination of the energy of the neutrons with a time-of-flight method. This second device will soon allow to measure the mass of fission chambers with a precision of about 1 %. Finally, the necessity of those calibrations will be shown through spectral indices measurements in core MISTRAL 1 (UO 2 ) and MISTRAL 2 (MOX) of the EOLE facility. In each case, the associated calculation schemes, performed using the Monte Carlo MCNP code with the ENDF-BV library, will be validated. Concerning the second one, the goal is to develop a method for measuring the modified conversion ratio of 238 U (defined as the ratio of 238 U capture rate to total fission rate) by gamma-ray spectrometry of fuel rods. Within the framework of the MISTRAL 1 and MISTRAL 2 programmes, the measurement device, the experimental results and the spectrometer calibration are described. Furthermore, the MCNP calculations of neutron self-shielding and gamma self-absorption are validated. It is finally shown that measurement uncertainties are better than 1 %. The extension of this technique to future modified conversion ratio measurements for 242 Pu (on MOX rods) and 232 Th (on

  3. Evaluation of the Standard Setting on the 2005 Grade 12 National Assessment of Educational Progress Mathematics Test

    Science.gov (United States)

    Sireci, Stephen G.; Hauger, Jeffrey B.; Wells, Craig S.; Shea, Christine; Zenisky, April L.

    2009-01-01

    The National Assessment Governing Board used a new method to set achievement level standards on the 2005 Grade 12 NAEP Math test. In this article, we summarize our independent evaluation of the process used to set these standards. The evaluation data included observations of the standard-setting meeting, observations of advisory committee meetings…

  4. 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.

  5. 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.

  6. How many standard area diagram sets are needed for accurate disease severity assessment

    Science.gov (United States)

    Standard area diagram sets (SADs) are widely used in plant pathology: a rater estimates disease severity by comparing an unknown sample to actual severities in the SADs and interpolates an estimate as accurately as possible (although some SADs have been developed for categorizing disease too). Most ...

  7. Implementing standard setting into the Conjoint MAFP/FRACGP Part 1 examination - Process and issues.

    Science.gov (United States)

    Chan, S C; Mohd Amin, S; Lee, T W

    2016-01-01

    The College of General Practitioners of Malaysia and the Royal Australian College of General Practitioners held the first Conjoint Member of the College of General Practitioners (MCGP)/Fellow of Royal Australian College of General Practitioners (FRACGP) examination in 1982, later renamed the Conjoint MAFP/FRACGP examinations. The examination assesses competency for safe independent general practice and as family medicine specialists in Malaysia. Therefore, a defensible standard set pass mark is imperative to separate the competent from the incompetent. This paper discusses the process and issues encountered in implementing standard setting to the Conjoint Part 1 examination. Critical to success in standard setting were judges' understanding of the process of the modified Angoff method, defining the borderline candidate's characteristics and the composition of judges. These were overcome by repeated hands-on training, provision of detailed guidelines and careful selection of judges. In December 2013, 16 judges successfully standard set the Part 1 Conjoint examinations, with high inter-rater reliability: Cronbach's alpha coefficient 0.926 (Applied Knowledge Test), 0.921 (Key Feature Problems).

  8. A conceptual analysis of standard setting in large-scale assessments

    NARCIS (Netherlands)

    van der Linden, Willem J.

    1994-01-01

    Elements of arbitrariness in the standard setting process are explored, and an alternative to the use of cut scores is presented. The first part of the paper analyzes the use of cut scores in large-scale assessments, discussing three different functions: (1) cut scores define the qualifications used

  9. Setting Proficiency Standards for School Leadership Assessment: An Examination of Cut Score Decision Making

    Science.gov (United States)

    Cravens, Xiu Chen; Goldring, Ellen B.; Porter, Andrew C.; Polikoff, Morgan S.; Murphy, Joseph; Elliott, Stephen N.

    2013-01-01

    Purpose: Performance evaluation informs professional development and helps school personnel improve student learning. Although psychometric literature indicates that a rational, sound, and coherent standard-setting process adds to the credibility of an assessment, few studies have empirically examined the decision-making process. This article…

  10. Innovations in Setting Performance Standards for K-12 Test-Based Accountability

    Science.gov (United States)

    Huff, Kristen; Plake, Barbara S.

    2010-01-01

    Standard setting is a systematic process that uses a combination of judgmental and empirical procedures to make recommendations about where on the score continuum "cut scores" should be placed. Cut scores divide the score scale into categories consistent with the descriptions of student performance associated with multiple levels of achievement.…

  11. A Comparison of Standard-Setting Procedures for an OSCE in Undergraduate Medical Education.

    Science.gov (United States)

    Kaufman, David M.; Mann, Karen V.; Muijtjens, Arno M. M.; van der Vleuten, Cees P. M.

    2000-01-01

    Compared four standard-setting procedures for an objective structure clinical examination (OSCE) in medical education. Applied Angoff, borderline, relative, and holistic procedures to the data used to establish a cutoff score for a pass/fail decision. The Angoff and borderline procedures gave similar results; however, the relative and holistic…

  12. Combining the Best of Two Standard Setting Methods: The Ordered Item Booklet Angoff

    Science.gov (United States)

    Smith, Russell W.; Davis-Becker, Susan L.; O'Leary, Lisa S.

    2014-01-01

    This article describes a hybrid standard setting method that combines characteristics of the Angoff (1971) and Bookmark (Mitzel, Lewis, Patz & Green, 2001) methods. The proposed approach utilizes strengths of each method while addressing weaknesses. An ordered item booklet, with items sorted based on item difficulty, is used in combination…

  13. Setting and Maintaining GCSE and GCE Grading Standards: The Case for Contextualised Cohort-Referencing

    Science.gov (United States)

    Stringer, Neil Simon

    2012-01-01

    General Certificate of Secondary Education (GCSE) and General Certificate of Education (GCE) grading standards are determined by Awarding Bodies using procedures that adhere to the Code of Practice published by the regulator, Ofqual. Grade boundary marks (cut scores) are set using subject experts' (senior examiners) judgement of the quality of…

  14. The European Court of Human Rights’ Use of Standard-Setting Council of Europe Documents

    NARCIS (Netherlands)

    Glas, L.R.

    2017-01-01

    In many judgments, the European Court of Human Rights (Court) lists relevant international materials and sometimes uses these documents when determining whether the European Convention on Human Rights has been violated. These materials are often standard-setting documents that originate in the

  15. 75 FR 62686 - Health Information Technology: Revisions to Initial Set of Standards, Implementation...

    Science.gov (United States)

    2010-10-13

    ... Health Information Technology: Revisions to Initial Set of Standards, Implementation Specifications, and... Health HL7 Health Level Seven NAICS North American Industry Classification System OMB Office of...-Authorized Testing and Certification Body PHSA Public Health Service Act RFA Regulatory Flexibility Act RIA...

  16. Standard Setting in Specific-Purpose Language Testing: What Can a Qualitative Study Add?

    Science.gov (United States)

    Manias, Elizabeth; McNamara, Tim

    2016-01-01

    This paper explores the views of nursing and medical domain experts in considering the standards for a specific-purpose English language screening test, the Occupational English Test (OET), for professional registration for immigrant health professionals. Since individuals who score performances in the test setting are often language experts…

  17. 75 FR 44589 - Health Information Technology: Initial Set of Standards, Implementation Specifications, and...

    Science.gov (United States)

    2010-07-28

    ... Part III Department of Health and Human Services 45 CFR Part 170 Health Information Technology... Secretary 45 CFR Part 170 RIN 0991-AB58 Health Information Technology: Initial Set of Standards... of the National Coordinator for Health Information Technology (ONC), Department of Health and Human...

  18. 75 FR 2013 - Health Information Technology: Initial Set of Standards, Implementation Specifications, and...

    Science.gov (United States)

    2010-01-13

    ... Part III Department of Health and Human Services 45 CFR Part 170 Health Information Technology... Secretary 45 CFR Part 170 RIN 0991-AB58 Health Information Technology: Initial Set of Standards... of the National Coordinator for Health Information Technology, Department of Health and Human...

  19. An International Standard Set of Patient-Centered Outcome Measures After Stroke

    NARCIS (Netherlands)

    Salinas, J. (Joel); Sprinkhuizen, S.M. (Sara M.); Ackerson, T. (Teri); Bernhardt, J. (Julie); Davie, C. (Charlie); George, M.G. (Mary G.); Gething, S. (Stephanie); Kelly, A.G. (Adam G.); Lindsay, P. (Patrice); Liu, L. (Liping); Martins, S.C.O. (Sheila C.O.); Morgan, L. (Louise); B. Norrving (Bo); Ribbers, G.M. (Gerard M.); Silver, F.L. (Frank L.); Smith, E.E. (Eric E.); Williams, L.S. (Linda S.); Schwamm, L.H. (Lee H.)

    2015-01-01

    markdownabstract__BACKGROUND AND PURPOSE:__ Value-based health care aims to bring together patients and health systems to maximize the ratio of quality over cost. To enable assessment of healthcare value in stroke management, an international standard set of patient-centered stroke outcome measures

  20. Standardized network order sets in rural Ontario: a follow-up report on successes and sustainability.

    Science.gov (United States)

    Rawn, Andrea; Wilson, Katrina

    2011-01-01

    Unifying, implementing and sustaining a large order set project requires strategic placement of key organizational professionals to provide ongoing user education, communication and support. This article will outline the successful strategies implemented by the Grey Bruce Health Network, Evidence-Based Care Program to reduce length of stay, increase patient satisfaction and increase the use of best practices resulting in quality outcomes, safer practice and better allocation of resources by using standardized Order Sets within a network of 11 hospital sites. Audits conducted in 2007 and again in 2008 revealed a reduced length of stay of 0.96 in-patient days when order sets were used on admission and readmission for the same or a related diagnosis within one month decreased from 5.5% without order sets to 3.5% with order sets.

  1. Determinants of corporate lobbying intensity in the lease standard-setting process

    Directory of Open Access Journals (Sweden)

    Lucia Mellado

    2017-07-01

    Full Text Available The highly controversial lease standard-setting project that will replace the standards currently in place, establishes a new approach that includes the recognition of all assets and liabilities associated with lease contracts on the balance sheet, regardless of their classification. The complex standard-setting process and the heated debate among stakeholders makes the analysis of the lobbying phenomenon an important matter for study. The aim of this paper is to find explanatory factors that predict the behaviour of corporate groups with respect to the lease standard-setting process. To achieve this objective, we scrutinize the submission of comment letters by 306 non-financial listed companies in response to the discussion paper (DP 2009 and two exposure drafts (ED 2010 and ED 2013 elaborated jointly by the IASB and the FASB by distinguishing among three degrees of intensity in lobbying activities, depending on participation in the different discussion periods. Our empirical study is conducted through a multivariate analysis that shows the intensity of lobbying by considering participation in the three consultation periods. The results show that the intensity of lobbying is associated with size, profitability, age, industry and managerial ownership. The evidence can be used to predict lobbying behaviour. The research has implications for standard setters and contributes to prior lobbying research.

  2. Eulerian Circles (Venn Diagrams) as model for modern economy education on the basis of Russian professional standards

    Science.gov (United States)

    Sharonov, M. A.; Sharonova, O. V.; Sharonova, V. P.

    2018-03-01

    The article is an attempt to create a model built using Eulerian circles (Venn diagrams) to illustrate the methodological impact of recent Federal Law 283-FZ “On the independent evaluation of qualifications” and new Federal State Educational Standards of higher education of generation 3++ on educational process in Russia. In modern economic conditions, the ability to correctly assess the role of professional standards, as a matter of fact, some set, the degree of intersection with the approximate basic educational program and the Federal State Educational Standards becomes an important factor on which in the future will depend not only the demand of graduates in the labor market, but also the possibility of passing the professional and public accreditation of the proposed program.

  3. A standard bacterial isolate set for research on contemporary dairy spoilage.

    Science.gov (United States)

    Trmčić, A; Martin, N H; Boor, K J; Wiedmann, M

    2015-08-01

    Food spoilage is an ongoing issue that could be dealt with more efficiently if some standardization and unification was introduced in this field of research. For example, research and development efforts to understand and reduce food spoilage can greatly be enhanced through availability and use of standardized isolate sets. To address this critical issue, we have assembled a standard isolate set of dairy spoilers and other selected nonpathogenic organisms frequently associated with dairy products. This publicly available bacterial set consists of (1) 35 gram-positive isolates including 9 Bacillus and 15 Paenibacillus isolates and (2) 16 gram-negative isolates including 4 Pseudomonas and 8 coliform isolates. The set includes isolates obtained from samples of pasteurized milk (n=43), pasteurized chocolate milk (n=1), raw milk (n=1), cheese (n=2), as well as isolates obtained from samples obtained from dairy-powder production (n=4). Analysis of growth characteristics in skim milk broth identified 16 gram-positive and 13 gram-negative isolates as psychrotolerant. Additional phenotypic characterization of isolates included testing for activity of β-galactosidase and lipolytic and proteolytic enzymes. All groups of isolates included in the isolate set exhibited diversity in growth and enzyme activity. Source data for all isolates in this isolate set are publicly available in the FoodMicrobeTracker database (http://www.foodmicrobetracker.com), which allows for continuous updating of information and advancement of knowledge on dairy-spoilage representatives included in this isolate set. This isolate set along with publicly available isolate data provide a unique resource that will help advance knowledge of dairy-spoilage organisms as well as aid industry in development and validation of new control strategies. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  4. 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.

  5. Basic Laparoscopic Skills Assessment Study: Validation and Standard Setting among Canadian Urology Trainees.

    Science.gov (United States)

    Lee, Jason Y; Andonian, Sero; Pace, Kenneth T; Grober, Ethan

    2017-06-01

    As urology training programs move to a competency based medical education model, iterative assessments with objective standards will be required. To develop a valid set of technical skills standards we initiated a national skills assessment study focusing initially on laparoscopic skills. Between February 2014 and March 2016 the basic laparoscopic skill of Canadian urology trainees and attending urologists was assessed using 4 standardized tasks from the AUA (American Urological Association) BLUS (Basic Laparoscopic Urological Surgery) curriculum, including peg transfer, pattern cutting, suturing and knot tying, and vascular clip applying. All performances were video recorded and assessed using 3 methods, including time and error based scoring, expert global rating scores and C-SATS (Crowd-Sourced Assessments of Technical Skill Global Rating Scale), a novel, crowd sourced assessment platform. Different methods of standard setting were used to develop pass-fail cut points. Six attending urologists and 99 trainees completed testing. Reported laparoscopic experience and training level correlated with performance (p standard setting methods to define pass-fail cut points for all 4 AUA BLUS tasks. The 4 AUA BLUS tasks demonstrated good construct validity evidence for use in assessing basic laparoscopic skill. Performance scores using the novel C-SATS platform correlated well with traditional time-consuming methods of assessment. Various standard setting methods were used to develop pass-fail cut points for educators to use when making formative and summative assessments of basic laparoscopic skill. Copyright © 2017 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

  6. Core Outcome Set-STAndards for Development: The COS-STAD recommendations.

    Science.gov (United States)

    Kirkham, Jamie J; Davis, Katherine; Altman, Douglas G; Blazeby, Jane M; Clarke, Mike; Tunis, Sean; Williamson, Paula R

    2017-11-01

    The use of core outcome sets (COS) ensures that researchers measure and report those outcomes that are most likely to be relevant to users of their research. Several hundred COS projects have been systematically identified to date, but there has been no formal quality assessment of these studies. The Core Outcome Set-STAndards for Development (COS-STAD) project aimed to identify minimum standards for the design of a COS study agreed upon by an international group, while other specific guidance exists for the final reporting of COS development studies (Core Outcome Set-STAndards for Reporting [COS-STAR]). An international group of experienced COS developers, methodologists, journal editors, potential users of COS (clinical trialists, systematic reviewers, and clinical guideline developers), and patient representatives produced the COS-STAD recommendations to help improve the quality of COS development and support the assessment of whether a COS had been developed using a reasonable approach. An open survey of experts generated an initial list of items, which was refined by a 2-round Delphi survey involving nearly 250 participants representing key stakeholder groups. Participants assigned importance ratings for each item using a 1-9 scale. Consensus that an item should be included in the set of minimum standards was defined as at least 70% of the voting participants from each stakeholder group providing a score between 7 and 9. The Delphi survey was followed by a consensus discussion with the study management group representing multiple stakeholder groups. COS-STAD contains 11 minimum standards that are the minimum design recommendations for all COS development projects. The recommendations focus on 3 key domains: the scope, the stakeholders, and the consensus process. The COS-STAD project has established 11 minimum standards to be followed by COS developers when planning their projects and by users when deciding whether a COS has been developed using reasonable

  7. Core Outcome Set-STAndards for Development: The COS-STAD recommendations.

    Directory of Open Access Journals (Sweden)

    Jamie J Kirkham

    2017-11-01

    Full Text Available The use of core outcome sets (COS ensures that researchers measure and report those outcomes that are most likely to be relevant to users of their research. Several hundred COS projects have been systematically identified to date, but there has been no formal quality assessment of these studies. The Core Outcome Set-STAndards for Development (COS-STAD project aimed to identify minimum standards for the design of a COS study agreed upon by an international group, while other specific guidance exists for the final reporting of COS development studies (Core Outcome Set-STAndards for Reporting [COS-STAR].An international group of experienced COS developers, methodologists, journal editors, potential users of COS (clinical trialists, systematic reviewers, and clinical guideline developers, and patient representatives produced the COS-STAD recommendations to help improve the quality of COS development and support the assessment of whether a COS had been developed using a reasonable approach. An open survey of experts generated an initial list of items, which was refined by a 2-round Delphi survey involving nearly 250 participants representing key stakeholder groups. Participants assigned importance ratings for each item using a 1-9 scale. Consensus that an item should be included in the set of minimum standards was defined as at least 70% of the voting participants from each stakeholder group providing a score between 7 and 9. The Delphi survey was followed by a consensus discussion with the study management group representing multiple stakeholder groups. COS-STAD contains 11 minimum standards that are the minimum design recommendations for all COS development projects. The recommendations focus on 3 key domains: the scope, the stakeholders, and the consensus process.The COS-STAD project has established 11 minimum standards to be followed by COS developers when planning their projects and by users when deciding whether a COS has been developed using

  8. [Development of a software standardizing optical density with operation settings related to several limitations].

    Science.gov (United States)

    Tu, Xiao-Ming; Zhang, Zuo-Heng; Wan, Cheng; Zheng, Yu; Xu, Jin-Mei; Zhang, Yuan-Yuan; Luo, Jian-Ping; Wu, Hai-Wei

    2012-12-01

    To develop a software that can be used to standardize optical density to normalize the procedures and results of standardization in order to effectively solve several problems generated during standardization of in-direct ELISA results. The software was designed based on the I-STOD method with operation settings to solve the problems that one might encounter during the standardization. Matlab GUI was used as a tool for the development. The software was tested with the results of the detection of sera of persons from schistosomiasis japonica endemic areas. I-STOD V1.0 (WINDOWS XP/WIN 7, 0.5 GB) was successfully developed to standardize optical density. A serial of serum samples from schistosomiasis japonica endemic areas were used to examine the operational effects of I-STOD V1.0 software. The results indicated that the software successfully overcame several problems including reliability of standard curve, applicable scope of samples and determination of dilution for samples outside the scope, so that I-STOD was performed more conveniently and the results of standardization were more consistent. I-STOD V1.0 is a professional software based on I-STOD. It can be easily operated and can effectively standardize the testing results of in-direct ELISA.

  9. 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...

  10. 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

  11. Integrated Data Collection Analysis (IDCA) Program - RDX Standard Data Set 2

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Phillips, Jason J. [Air Force Research Lab. (AFRL), Tyndall Air Force Base, FL (United States); Shelley, Timothy J. [Applied Research Associates, Tyndall Air Force Base, FL (United States); Reyes, Jose A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-02-20

    The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, from testing the second time in the Proficiency Test. This RDX testing (Set 2) compared to the first (Set 1) was found to have about the same impact sensitivity, have more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity.

  12. Policy issues in setting de minimis standards for latent cancer risks of radiation and chemical carcinogens

    International Nuclear Information System (INIS)

    Spangler, M.

    1984-01-01

    In the fuel cycles for the development and utilization of alternative energy resources, the risk of latent cancer arises from a number of sources. Included are ionizing radiation and the carcinogenic potential of polluting chemicals present in certain fuels or in materials associated with the construction, operation, maintenance or waste treatment processes of nuclear power, fossil fuels, synfuels, biomass, and other sources of energy. One aspect of developing a carcinogen guideline policy for a consistent and effective regulatory regime to use in dealing with these assorted carcinogenic risks is the setting of de minimis quantitative standards. In this report, 11 policy issues related to the setting of such regulatory standards are identified and a brief commentary is provided. 15 references, 1 table

  13. Psychometric aspects of item mapping for criterion-referenced interpretation and bookmark standard setting.

    Science.gov (United States)

    Huynh, Huynh

    2010-01-01

    Locating an item on an achievement continuum (item mapping) is well-established in technical work for educational/psychological assessment. Applications of item mapping may be found in criterion-referenced (CR) testing (or scale anchoring, Beaton and Allen, 1992; Huynh, 1994, 1998a, 2000a, 2000b, 2006), computer-assisted testing, test form assembly, and in standard setting methods based on ordered test booklets. These methods include the bookmark standard setting originally used for the CTB/TerraNova tests (Lewis, Mitzel, Green, and Patz, 1999), the item descriptor process (Ferrara, Perie, and Johnson, 2002) and a similar process described by Wang (2003) for multiple-choice licensure and certification examinations. While item response theory (IRT) models such as the Rasch and two-parameter logistic (2PL) models traditionally place a binary item at its location, Huynh has argued in the cited papers that such mapping may not be appropriate in selecting items for CR interpretation and scale anchoring.

  14. Integrated Data Collection Analysis (IDCA) Program — RDX Standard Data Sets

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Phillips, Jason J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Shelley, Timothy J. [Bureau of Alcohol, Tobacco and Firearms, Huntsville, AL (United States); Reyes, Jose A. [Applied Research Associates, Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-03-04

    The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, for a third and fourth time in the Proficiency Test and averaged with the analysis results from the first and second time. The results, from averaging all four sets (1, 2, 3 and 4) of data suggest a material to have slightly more impact sensitivity, more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity, compared to the results from Set 1, which was used previously as the values for the RDX standard in IDCA Analysis Reports.

  15. 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.

  16. Implementing standard setting into the Conjoint MAFP/FRACGP Part 1 examination – Process and issues

    Directory of Open Access Journals (Sweden)

    Chan Sook-Ching

    2016-02-01

    Full Text Available The College of General Practitioners of Malaysia and the Royal Australian College of General Practitioners held the first Conjoint Member of the College of General Practitioners (MCGP/Fellow of Royal Australian College of General Practitioners (FRACGP examination in 1982, later renamed the Conjoint MAFP/FRACGP examinations. The examination assesses competency for safe independent general practice and as family medicine specialists in Malaysia. Therefore, a defensible standard set pass mark is imperative to separate the competent from the incompetent.

  17. Establishing a gold standard for test sets: variation in interpretive agreement of expert mammographers.

    Science.gov (United States)

    Onega, Tracy; Anderson, Melissa L; Miglioretti, Diana L; Buist, Diana S M; Geller, Berta; Bogart, Andy; Smith, Robert A; Sickles, Edward A; Monsees, Barbara; Bassett, Lawrence; Carney, Patricia A; Kerlikowske, Karla; Yankaskas, Bonnie C

    2013-06-01

    Test sets for assessing and improving radiologic image interpretation have been used for decades and typically evaluate performance relative to gold standard interpretations by experts. To assess test sets for screening mammography, a gold standard for whether a woman should be recalled for additional workup is needed, given that interval cancers may be occult on mammography and some findings ultimately determined to be benign require additional imaging to determine if biopsy is warranted. Using experts to set a gold standard assumes little variation occurs in their interpretations, but this has not been explicitly studied in mammography. Using digitized films from 314 screening mammography exams (n = 143 cancer cases) performed in the Breast Cancer Surveillance Consortium, we evaluated interpretive agreement among three expert radiologists who independently assessed whether each examination should be recalled, and the lesion location, finding type (mass, calcification, asymmetric density, or architectural distortion), and interpretive difficulty in the recalled images. Agreement among the three expert pairs for recall/no recall was higher for cancer cases (mean 74.3 ± 6.5) than for noncancers (mean 62.6 ± 7.1). Complete agreement on recall, lesion location, finding type and difficulty ranged from 36.4% to 42.0% for cancer cases and from 43.9% to 65.6% for noncancer cases. Two of three experts agreed on recall and lesion location for 95.1% of cancer cases and 91.8% of noncancer cases, but all three experts agreed on only 55.2% of cancer cases and 42.1% of noncancer cases. Variability in expert interpretive is notable. A minimum of three independent experts combined with a consensus should be used for establishing any gold standard interpretation for test sets, especially for noncancer cases. Copyright © 2013 AUR. Published by Elsevier Inc. All rights reserved.

  18. Accounting for human variability and sensitivity in setting standards for electromagnetic fields.

    Science.gov (United States)

    Bailey, William H; Erdreich, Linda S

    2007-06-01

    Biological sensitivity and variability are key issues for risk assessment and standard setting. Variability encompasses general inter-individual variations in population responses, while sensitivity relates to unusual or extreme responses based on genetic, congenital, medical, or environmental conditions. For risk assessment and standard setting, these factors affect estimates of thresholds for effects and dose-response relationships and inform efforts to protect the more sensitive members of the population, not just the typical or average person. While issues of variability and sensitivity can be addressed by experimental and clinical studies of electromagnetic fields, investigators have paid little attention to these important issues. This paper provides examples that illustrate how default assumptions regarding variability can be incorporated into estimates of 60-Hz magnetic field exposures with no risk of cardiac stimulation and how population thresholds and variability of peripheral nerve stimulation responses at 60-Hz can be estimated from studies of pulsed gradient magnetic fields in magnetic resonance imaging studies. In the setting of standards for radiofrequency exposures, the International Commission for Non-Ionizing Radiation Protection uses inter-individual differences in thermal sensitivity as one of the considerations in the development of "safety factors." However, neither the range of sensitivity nor the sufficiency or excess of the 10-fold and the additional 5-fold safety factors have been assessed quantitatively. Data on the range of responses between median and sensitive individuals regarding heat stress and cognitive function should be evaluated to inform a reassessment of these safety factors and to identify data gaps.

  19. A standardized set of 3-D objects for virtual reality research and applications.

    Science.gov (United States)

    Peeters, David

    2017-06-23

    The use of immersive virtual reality as a research tool is rapidly increasing in numerous scientific disciplines. By combining ecological validity with strict experimental control, immersive virtual reality provides the potential to develop and test scientific theories in rich environments that closely resemble everyday settings. This article introduces the first standardized database of colored three-dimensional (3-D) objects that can be used in virtual reality and augmented reality research and applications. The 147 objects have been normed for name agreement, image agreement, familiarity, visual complexity, and corresponding lexical characteristics of the modal object names. The availability of standardized 3-D objects for virtual reality research is important, because reaching valid theoretical conclusions hinges critically on the use of well-controlled experimental stimuli. Sharing standardized 3-D objects across different virtual reality labs will allow for science to move forward more quickly.

  20. Mapping standard ophthalmic outcome sets to metrics currently reported in eight eye hospitals.

    Science.gov (United States)

    Michelotti, Monica; de Korne, Dirk F; Weizer, Jennifer S; Lee, Paul P; Flanagan, Declan; Kelly, Simon P; Odergren, Anne; Sandhu, Sukhpal S; Wai, Charity; Klazinga, Niek; Haripriya, Aravind; Stein, Joshua D; Hingorani, Melanie

    2017-12-29

    To determine alignment of proposed international standard outcomes sets for ophthalmic conditions to metrics currently reported by eye hospitals. Mixed methods comparative benchmark study, including eight eye hospitals in Australia, India, Singapore, Sweden, U.K., and U.S. All are major international tertiary care and training centers in ophthalmology. Main outcome measure is consistency of ophthalmic outcomes measures reported. International agreed standard outcomes (ICHOM) sets are available for cataract surgery (10 metrics) and macular degeneration (7 metrics). The eight hospitals reported 22 different metrics for cataract surgery and 2 for macular degeneration, which showed only limited overlap with the proposed ICHOM metrics. None of the hospitals reported patient reported visual functioning or vision-related quality of life outcomes measures (PROMs). Three hospitals (38%) reported rates for uncomplicated cataract surgeries only. There was marked variation in how and at what point postoperatively visual outcomes following cataract, cornea, glaucoma, strabismus and oculoplastics procedures were reported. Seven (87.5%) measured post-operative infections and four (50%) measured 30 day unplanned reoperation rates. Outcomes reporting for ophthalmic conditions currently widely varies across hospitals internationally and does not include patient-reported outcomes. Reaching consensus on measures and consistency in data collection will allow meaningful comparisons and provide an evidence base enabling improved sharing of "best practices" to improve eye care globally. Implementation of international standards is still a major challenge and practice-based knowledge on measures should be one of the inputs of the international standardization process.

  1. Integrated methodology for standard-setting norms of innovative product in the new competitive environment

    Science.gov (United States)

    Polyakova, Marina; Rubin, Gennadiy

    2017-07-01

    Modern theory of technological and economical development is based on long-term cycles. So far it has been proved that the technological structure of the economy can be subdivided into groups of technological complexes, which are inter-related with each other by similar technological links, so called technological modes. Technological mode is defined as a complex of interrelated production units of similar technological level, which develop simultaneously. In order to provide competitiveness of products in the new changing conditions, it is necessary to make sure that they meet all the regulatory requirements specified in standards. But the existing and the fast changing situation on the merchandise markets causes disbalance between the growing customer requirements and the technological capabilities of the manufacturer. This makes the issue of standardization development even more urgent both from the point of view of establishing the current positions and from the point of view of possible promising development trends in technology. In the paper scientific and engineering principles of developing standardization as a science are described. It is shown that further development of standardization is based on the principles of advanced standardization the main idea of which is to set up the prospective requirements to the innovative product. Modern approaches of advanced standardization are shown in this paper. The complexity of the negotiation procedure between customer and manufacturer as a whole and achieving of consensus, in particular, make it necessary to find conceptually new approaches to developing mathematical models. The developed methodology picture the process of achieving the consensus between customer and manufacturer while developing the standard norms in the form of decreasing S-curve diagram. It means that in the end of the negotiation process, there is no difference between customer and manufacturer positions. It makes it possible to provide the

  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. Correcting bias from the standard linear adjustment of weaning weight to an age-constant basis for beef calves.

    Science.gov (United States)

    Rossi, D J; Kress, D D; Tess, M W; Burfening, P J

    1992-05-01

    Standard linear adjustment of weaning weight to a constant age has been shown to introduce bias in the adjusted weight due to nonlinear growth from birth to weaning of beef calves. Ten years of field records from the five strains of Beefbooster Cattle Alberta Ltd. seed stock herds were used to investigate the use of correction factors to adjust standard 180-d weight (WT180) for this bias. Statistical analyses were performed within strain and followed three steps: 1) the full data set was split into an estimation set (ES) and a validation set (VS), 2) WT180 from the ES was used to develop estimates of correction factors using a model including herd (H), year (YR), age of dam (DA), sex of calf (S), all two and three-way interactions, and any significant linear and quadratic covariates of calf age at weaning deviated from 180 d (DEVCA) and interactions between DEVCA and DA, S or DA x S, and 3) significant DEVCA coefficients were used to correct WT180 from the VS, then WT180 and the corrected weight (WTCOR) from the VS were analyzed with the same model as in Step 2 and significance of DEVCA terms were compared. Two types of data splitting were used. Adjusted R2 was calculated to describe the proportion of total variation of DEVCA terms explained for WT180 from the ES. The DEVCA terms explained .08 to 1.54% of the total variation for the five strains. Linear and quadratic correction factors were both positive and negative. Bias in WT180 from the ES within 180 +/- 35 d of age ranged from 2.8 to 21.7 kg.(ABSTRACT TRUNCATED AT 250 WORDS)

  4. Constituents' formal participation in the due process of international accounting standard setting: A longitudinal analysis of stakeholder and geographical diversity

    OpenAIRE

    Jorissen, Ann; Lybaert, Nadine; Orens, Raf; Van der Tas, Leo

    2011-01-01

    Since IOSCO’s decision (May, 2000) to accept IASs for cross-border listing and since governments started to hand over accounting standard setting authority to the International Accounting Standards Board (IASB) (EU Regulation EC N° 1606/2002, Australia FRC July 2002), the IASB is well under way to become the global accounting standard setter. For the IASB, being a private organization, widespread constituents’ participation in its due process of standard setting is a key element to reinforce...

  5. PERBANDINGAN ESTIMASI KESALAHAN PENGUKURAN STANDARD SETTING DALAM PENILAIAN KOMPETENSI AKUNTANSI SMK

    Directory of Open Access Journals (Sweden)

    Sebastianus Widanarto Prijowuntato

    2015-10-01

      ESTIMATION OF STANDARD SETTING ERROR MEASUREMENT IN ACCOUNTING COMPETENCY ASSESSMENT IN VOCATIONAL SCHOOLS Abstract This research aims to estimate the measurement error in the Angof, Ebel, and Bookmark methods in Accounting Competency Assessment in Vocational Schools in DIY used by standard setters in deciding a cut score. This research is quantitative research. Data source in this study was the cut score of seven vocational schools in Yogyakarta that were randomly established. The reseach data were students’ answers to the National Examination in Accounting Subject of Package 2 in the academic year of 2011/2012 with 338 students. The teachers who engaged in the Focus Group Discussion (FGD were nine teachers, consisting of seven women and two men. The technical analysis was divided into three stages. 1 preparation, 2 FGD, 3 estimated error measurement by using the Bootstrap method. The results show that the cut score for the Angoff method is 67.809, Ebel method is 59.034, and Bookmark method is 57.022. The Angoff method has the least estimation of the measurement errors (2.102 as compared with the Ebel method (4.004 and the Bookmark method (4.042. Therefore, the Angoff method is the right method for estimating error measurement on standard setting. Keywords: Estimation of error measurement, Bootstrap, Cut Score

  6. Building the Foundation to Generate a Fundamental Care Standardized Data Set.

    Science.gov (United States)

    Jeffs, Lianne; Muntlin Athlin, Åsa; Needleman, Jack; Jackson, Debra; Kitson, Alison

    2018-02-15

    Considerable transformation is occurring in healthcare globally with organizations focusing on achieving the quadruple aim of improving the experience of care, the health of populations, and the experience of providing care while reducing per capita costs of health care. In response, health care organizations are employing performance measurement and quality improvement methods to achieve the quadruple aim. Despite the plethora of measures available to health managers, there is no standardized data set and virtually no indicators reflecting how patients actually experience the delivery of fundamental care, such as nutrition, hydration, mobility, respect, education, and psychosocial support. Given the linkages of fundamental care to safety and quality metrics, efforts to build the evidence base and knowledge that captures the impact of enacting fundamental care across the health care continuum and lifespan should include generating a routinely collected data set of relevant measures. This paper provides an overview of the current state of performance measurement, key trends, and a methodological approach to leverage in efforts to generate a standardized data set for fundamental care. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  7. Are we ready to apply the de minimis concept to standard setting: a historical approach

    International Nuclear Information System (INIS)

    Stannard, J.N.

    1984-01-01

    The pros and cons of the de minimis concept is discussed from a historical point of view. The purpose is first to indicate how long ago many common occupational hazards were recognized and second to conclude that there had to be exposure levels that were essentially trivial, i.e., de minimis. Some aspects of the history of radiation protection are presented. The topics of discussion include: empiricism; the tolerance dose; the maximum permissible exposure dose; as low as possible dose (ALAP) and as low as reasonable achievable (ALARA); and the challenge of the '80s. In the '80s with the strong movement to use risk as a basis for both radiation and chemical standards, the need for adding the concept of a trivial risk has taken hold. Some examples of possible de minimis levels, as well as some of the problems and current activities, are presented

  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. Setting a Minimum Standard of Care in Clinical Trials: Human Rights and Bioethics as Complementary Frameworks.

    Science.gov (United States)

    Marouf, Fatma E; Esplin, Bryn S

    2015-06-11

    For the past few decades, there has been intense debate in bioethics about the standard of care that should be provided in clinical trials conducted in developing countries. Some interpret the Declaration of Helsinki to mean that control groups should receive the best intervention available worldwide, while others interpret this and other international guidelines to mean the best local standard of care. Questions of justice are particularly relevant where limited resources mean that the local standard of care is no care at all. Introducing human rights law into this complex and longstanding debate adds a new and important perspective. Through non-derogable rights, including the core obligations of the right to health, human rights law can help set a minimum standard of care. Copyright 2015 Marouf and Esplin. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0/), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original author and source are credited.

  10. Comparison study of judged clinical skills competence from standard setting ratings generated under different administration conditions.

    Science.gov (United States)

    Roberts, William L; Boulet, John; Sandella, Jeanne

    2017-12-01

    When the safety of the public is at stake, it is particularly relevant for licensing and credentialing exam agencies to use defensible standard setting methods to categorize candidates into competence categories (e.g., pass/fail). The aim of this study was to gather evidence to support change to the Comprehensive Osteopathic Medical Licensing-USA Level 2-Performance Evaluation standard setting design and administrative process. Twenty-two video recordings of candidates assessed for clinical competence were randomly selected from the 2014-2015 Humanistic domain test score distribution ranging from the highest to lowest quintile of performance. Nineteen panelists convened at the same site to receive training and practice prior to generating judgments of qualified or not qualified performance to each of the twenty videos. At the end of training, one panel remained onsite to complete their judgments and the second panel was released and given 1 week to observe the same twenty videos and complete their judgments offsite. The two one-sided test procedure established equivalence between panel group means at the 0.05 confidence level, controlling for rater errors within each panel group. From a practical cost-effective and administrative resource perspective, results from this study suggest it is possible to diverge from typical panel groups, who are sequestered the entire time onsite, to larger numbers of panelists who can make their judgments offsite with little impact on judged samples of qualified performance. Standard setting designs having panelists train together and then allowing those to provide judgments yields equivalent ratings and, ultimately, similar cut scores.

  11. Standardized, App-based disinfection of iPads in a clinical and nonclinical setting: comparative analysis.

    Science.gov (United States)

    Albrecht, Urs-Vito; von Jan, Ute; Sedlacek, Ludwig; Groos, Stephanie; Suerbaum, Sebastian; Vonberg, Ralf-Peter

    2013-08-14

    With the use of highly mobile tools like tablet PCs in clinical settings, an effective disinfection method is a necessity. Since manufacturers do not allow cleaning methods that make use of anything but a dry fleece, other approaches have to be established to ensure patient safety and to minimize risks posed by microbiological contamination. The ability of isopropanol wipes to decontaminate iPads was evaluated prospectively in a observer blinded, comparative analysis of devices used in a clinical and a nonclinical setting. 10 new iPads were randomly deployed to members of the nursing staff of 10 clinical wards, to be used in a clinical setting over a period of 4 weeks. A pre-installed interactive disinfection application (deBac-app, PLRI MedAppLab, Germany) was used on a daily basis. Thereafter, the number and species of remaining microorganisms on the surface of the devices (13 locations; front and back) was evaluated using contact agar plates. Following this, the 10 iPads were disinfected and randomly deployed to medical informatics professionals who also used the devices for 4 weeks but were forbidden to use disinfecting agents. The quality of a single, standardized disinfection process was then determined by a final surface disinfection process of all devices in the infection control laboratory. No personal data were logged with the devices. The evaluation was performed observer blinded with respect to the clinical setting they were deployed in and personnel that used the devices. We discovered a 2.7-fold (Mann-Whitney U test, z=-3.402, P=.000670) lower bacterial load on the devices used in the clinical environment that underwent a standardized daily disinfection routine with isopropanol wipes following the instructions provided by "deBac-app". Under controlled conditions, an average reduction of the mainly Gram-positive normal skin microbiological load of 99.4% (Mann-Whitney U test, z=-3.1798, P=.001474) for the nonclinical group and 98.1% (Mann-Whitney U test

  12. Metrological Array of Cyber-Physical Systems. Part 15. Approach to the Creation of Temperature Standard on Basis of Fundamental Physical Constants

    Directory of Open Access Journals (Sweden)

    Bohdan STADNYK

    2016-04-01

    Full Text Available After proving the existence of Temperature Quantum the next step would be the study of possibility of Temperature Standard creation. We consider the general principles of design and operation of such advanced Temperature Standard constructed on the basis of Quantum Temperature Unit. The latter is determined solely via the fundamental physical constants. Approach to the mentioned Standard is developed in this paper.

  13. 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...

  14. 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.

  15. Evaluation of the Swedish biogas standard - basis for a future audit; Utvaerdering av svensk biogasstandard - underlag foer en framtida revision

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, Mattias

    2011-04-15

    This report is intended to constitute a basis for a future revision of the SS 15 54 38, 'Motor fuels - Biogas as fuel for high-speed otto engines.' When it was published in 1999, it was not deemed appropriate to source compressed biomethane from landfill gas, because of its wider range of trace elements, often in relatively high concentrations, such as siloxanes and halogenated hydrocarbons. Siloxanes are also present in the gas from waste water treatment plants, but the assessment was made that upgrading methods available at the time reduced these levels sufficiently. By putting a maximum limit on the nitrogen content, landfill gas was effectively shut out. Technical Development (cryogenic upgrading making it possible to clean landfill gas to biomethane quality; stricter emissions standards for vehicles that has led to a higher level of sophistication in engine and aftertreatment technologies) has now made it necessary to better control the levels of all trace elements. The state of standardization is not satisfactory for CNG in general and renewable CNG (biomethane) in particular. Standardization at the international level is mostly qualitative. Most standards are at the national level and with the exception of Sweden biomethane is only standardized for injection on the natural gas network. A mandate (M/475, 2010) from the European Commission to develop the CEN standards for biomethane fed into the grid, or used directly as renewable CNG, may change this, and the issue will be addressed in a new committee (CEN/TC408 'Project Committee - Biogas for use in transportation and injection into natural gas pipelines'). A variety of trace elements has been discussed for inclusion in the new standards, where countries such as Holland and France stand out as supporters of more stringent and comprehensive regulations. This report's working group considers it like the regulation of substances such as siloxanes and halogenated hydrocarbons will lead

  16. 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.

  17. Early Development Standards for Children Aged 2 to 12 Months in a Low-Income Setting

    Directory of Open Access Journals (Sweden)

    Buddhi U. W. P. Lokuketagoda

    2016-10-01

    Full Text Available The aim of this study was to develop a screening tool to screen children for development problems in a low-income setting. Childhood development problems are a major health issue faced by low-income countries. A validated screening tool is needed for early identification of developmental delays. This article contains the first phase of a study that established a relatively simple tool to screen children for developmental problems. The aim of the first phase was to define a set of development indicators for the period of 2 to 12 months of life. The study methodology consisted of an extensive literature review, to develop a set of indicators to measure child development in infancy. The indicators were placed within a framework developed and used by experts in other countries. It consists of major domains, subdomains, specific aspects, and standards of development. This was followed by content validation of the indicators. Following review of literature, 171 indicators were compiled under the framework. At the end of content validation, 125 indicators were retained in the framework. These were pretested, and another 26 were removed following pretesting. The study developed a framework of indicators that could be used as a development tool following a reference-based validation. The second phase of the study that included the assessment of psychometric characteristics and reference-based validation would be published in a separate article.

  18. Role of science and judgment in setting national ambient air quality standards: how low is low enough?

    Science.gov (United States)

    McClellan, Roger O

    2012-06-01

    The Clean Air Act (CAA) requires listing as criteria air pollutants those pollutants that arise from multiple sources and are found across the United States. The original list included carbon monoxide, nitrogen oxides, sulfur oxides, particulate matter, photochemical oxidants (later regulated as ozone), and hydrocarbons. Later, the listing of hydrocarbons was revoked and lead was listed. The CAA requires the EPA Administrator to set National Ambient Air Quality Standards (NAAQS) for these pollutants using the "latest scientific knowledge" at levels that, in the judgment of the Administrator, are "requisite to protect public health" while "allowing an adequate margin of safety" without considering the cost of implementing the NAAQS. The NAAQS are set using scientific knowledge to inform the Administrator's policy judgments on each NAAQS. Recently, there has been increasing tension and debate over the role of scientific knowledge versus policy judgment in the setting of NAAQS. This paper reviews key elements of this debate drawing on the opinion of Supreme Court Justice Stephen Breyer, in Whitman v. American Trucking Associations, to resolve the conundrum posed by the CAA language. I conclude that scientists should carefully distinguish between their interpretations of scientific knowledge on specific pollutants and their personal preferences as to a given policy outcome (i.e., specific level and form of the NAAQS), recognizing that these are policy judgments as to acceptable levels of risk if the science does not identify a threshold level below which there are no identifiable health risks. These policy judgments are exclusively delegated by the CAA to the EPA Administrator who needs to articulate the basis for their policy judgments on the level and form of the NAAQS and associated level of acceptable risk.

  19. Aiming for a holistic integrated service for men diagnosed with prostate cancer - Definitions of standards and skill sets for nurses and allied healthcare professionals.

    Science.gov (United States)

    Lamb, Alastair D; Thompson, Sue; Kinsella, Netty; Gerbitz, Ingmar; Chapman, Elaine; Putt, Lisa; Bennett, Sophie; Thankappannair, Vineetha; Geoghegan, Lisa; Wright, Naomi; Stirton-Croft, Alison; Nixon, Penny; Styling, Andrew; Whitney, Diane; Hodgson, Lindsay; Punt, Lisa; Longmore, Jenny; Carter, Mike; Petch, Bill; Rimmer, Yvonne; Russell, Simon; Hughes-Davies, Luke; Mazhar, Danish; Shah, Nimish C; Gnanapragasam, Vincent J; Doble, Andrew; Bratt, Ola; Kastner, Christof

    2017-08-01

    To establish a comprehensive set of recommendations for the service structure and skill set of nurses and allied healthcare professionals in prostate cancer care. Using components of formal consensus methodology, a 30-member multidisciplinary panel produced 53 items for discussion relating to the provision of care for prostate cancer patients by specialist nurses and allied healthcare professionals. Items were developed by two rounds of email correspondence in which, first, items were generated and, second, items refined to form the basis of a consensus meeting which constituted the third round of review. The fourth and final round was an email review of the consensus output. The panel agreed on 33 items that were appropriate for recommendations to be made. These items were grouped under categories of "Environment" and "Patient Pathway" and included comments on training, leadership, communication and quality assessment as well as specific items related to prostate diagnosis clinics, radical treatment clinics and follow-up survivor groups. Specialist nurses and allied healthcare professionals play a vital role alongside urologists and oncologists to provide care to men with prostate cancer and their families. We present a set of standards and consensus recommendations for the roles and skill-set required for these practitioners to provide gold-standard prostate cancer care. These recommendations could form the basis for development of comprehensive integrated prostate cancer pathways in prostate cancer centres as well as providing guidance for any units treating men with prostate cancer. Copyright © 2017. Published by Elsevier Ltd.

  20. Competence prized: program sets standards and maps out oilfield career paths for the first time

    International Nuclear Information System (INIS)

    Taylor, R.

    2000-01-01

    An ambitious program to address the problems of underqualified staff and staff shortages in the oil and gas industry was initiated in 1995 by the Petroleum Services Association of Canada. The intent of the program - the Petroleum Services Competency Program - was to create a labour force recognized as competent at what it does and to demonstrate to young people considering future careers that employment in the petroleum services sector could offer a rewarding career. The key strength of the PSCP is that assessment of an individual is on the job; competency assessment measures performance under working conditions with the reality, constraints, and pressures of the working environment. The program is modelled after the British National Vocational Qualification (NVQ) system. The certification database is maintained by the Petroleum Industry Training Service (PITS) which also issues the certification to successful graduates. PITS also provides training for assessors, although training for assessors is also provided by other training vendors. Auditors will monitor both assessor proficiency and equity of assessment between companies. To date certification standards for 28 occupations have been completed in the areas of pumping, wireline, trucking, well testing and well site supervision. In all cases competency standards are upgraded on a continuous basis to keep pace with advancing technology. Participation in the program is voluntary, and a certificate is not required for someone to work in the occupation. Nevertheless, official certification is the eventual goal. There is minimal government intervention. The program is strictly performance-based with no seniority or timeline used to determine worker competence; wages are not regulated or recommended through this program. The program is supported by a large number of oil companies, but like any change, it will take time to have a clear understanding of how the program benefits the entire oil and natural gas industry

  1. Standard operating procedures improve acute neurologic care in a sub-Saharan African setting.

    Science.gov (United States)

    Jaiteh, Lamin E S; Helwig, Stefan A; Jagne, Abubacarr; Ragoschke-Schumm, Andreas; Sarr, Catherine; Walter, Silke; Lesmeister, Martin; Manitz, Matthias; Blaß, Sebastian; Weis, Sarah; Schlund, Verena; Bah, Neneh; Kauffmann, Jil; Fousse, Mathias; Kangankan, Sabina; Ramos Cabrera, Asmell; Kronfeld, Kai; Ruckes, Christian; Liu, Yang; Nyan, Ousman; Fassbender, Klaus

    2017-07-11

    Quality of neurologic emergency management in an under-resourced country may be improved by standard operating procedures (SOPs). Neurologic SOPs were implemented in a large urban (Banjul) and a small rural (Brikama) hospital in the Gambia. As quality indicators of neurologic emergency management, performance of key procedures was assessed at baseline and in the first and second implementation years. At Banjul, 100 patients of the first-year intervention group exhibited higher rates of general procedures of emergency management than 105 control patients, such as neurologic examination (99.0% vs 91.4%; p process quality of neurologic emergency management in under-resourced settings. This study provides Class IV evidence that, for patients with suspected neurologic emergencies in sub-Saharan Africa, neurologic SOPs increase the rate of performance of guideline-recommended procedures. Copyright © 2017 The Author(s). Published by Wolters Kluwer Health, Inc. on behalf of the American Academy of Neurology.

  2. Gold standard program for heavy smokers in a real-life setting

    DEFF Research Database (Denmark)

    Neumann, Tim; Rasmussen, Mette; Heitmann, Berit L

    2013-01-01

    Background: High-intensity smoking cessation programs generally lead to more continuous abstinence, however, lower rates of success have been reported among heavy smokers. The aim was to evaluate continuous abstinence among heavy smokers during the intensive 6-week Gold Standard Program (GSP....... Attending GSP with an individual format (vs. group/other, OR 1.23-1.44); in a hospital setting (vs. pharmacy/municipality services, OR 1.05-1.11); and being compliant (attending the planned meetings OR 4.36-4.89) were associated with abstinence. Abstinence decreased in a dose-dependent manner...... with increasing smoking severity. Conclusions: Abstinence after GSP was 1-6% lower in the heavy smokers than in the overall study population. Modifiable factors may be used for small improvements in continued abstinence. However attempts to improve compliance seemed especially promising....

  3. Animal production food safety: priority pathogens for standard setting by the World Organisation for Animal Health.

    Science.gov (United States)

    Knight-Jones, T J D; Mylrea, G E; Kahn, S

    2010-12-01

    In this short study, expert opinion and a literature review were used to identify the pathogens that should be prioritised by the World Organisation for Animal Health (OIE) for the development of future standards for animal production food safety. Prioritisation was based on a pathogen's impact on human health and amenability to control using on-farm measures. As the OIE mandate includes alleviation of global poverty, the study focused on developing countries and those with 'in-transition' economies. The regions considered were Eastern Europe, Asia, the Middle East, Africa and South America. Salmonella (from species other than poultry) and pathogenic Escherichia coli were considered to be top priorities. Brucella spp., Echinococcus granulosus and Staphylococcus aureus were also mentioned by experts. As Salmonella, and to a lesser extent pathogenic E. coli, can be controlled by on-farm measures, these pathogens should be considered for prioritisation in future standard setting. On-farm control measures for Brucella spp. will be addressed in 2010-2011 in a review of the OLE Terrestrial Animal/Health Code chapter on brucellosis. In Africa, E. granulosus, the causative agent of hydatidosis, was estimated to have the greatest impact of all pathogens that could potentially be transmitted by food (i.e. via contamination). It was also listed for the Middle East and thought to be of importance by both South American experts consulted. Taenia saginata was thought to be of importance in South America and Africa and by one expert in the Middle East.

  4. Intra- and interobserver variability in interpretation of DMSA scans using a set of standardized criteria

    International Nuclear Information System (INIS)

    Patel, K.; Charron, M.; Hoberman, A.; Brown, M.L.; Rogers, K.D.

    1993-01-01

    A set of criteria was developed to standardize assessment of DMSA renal scintigraphy which were performed to evaluate children for acute pyelonephritis and renal scarring. This study was undertaken to assess intra-and interobserver vriability in the interpretation of DMSA renal scintigraphy using these criteria. Renal contours and parenchyma were assessed in three zones. Contours were assessed as normal or abnormal and parenchymal defects were evaluated in terms of character, shape and degree in three regions (upper and lower pole and midzone). Two nuclear medicine physicians blindly reviewed 57 DMSA scintigraphy on two occasions each. Disagreement of each observer's evaluation of the same scintigraphy on two different occasions was described as intraobserver variability, and the comparison between readings by each of the two observers was described as interobserver variability. High levels of intra- (95.9% and 90.6% respectively, p<0.05) and interobserver agreement (84.4%, p<0.05) were demonstrated. There were minor differences in inconsistencies between the two kidneys of different kidney zones. We conclude that standardization of criteria resulted in higher intra- and interobserver consistency in interpretation of DMSA scintigraphy. (orig.)

  5. 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.

  6. 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.)

  7. Reducing the number of options on multiple-choice questions: response time, psychometrics and standard setting.

    Science.gov (United States)

    Schneid, Stephen D; Armour, Chris; Park, Yoon Soo; Yudkowsky, Rachel; Bordage, Georges

    2014-10-01

    Despite significant evidence supporting the use of three-option multiple-choice questions (MCQs), these are rarely used in written examinations for health professions students. The purpose of this study was to examine the effects of reducing four- and five-option MCQs to three-option MCQs on response times, psychometric characteristics, and absolute standard setting judgements in a pharmacology examination administered to health professions students. We administered two versions of a computerised examination containing 98 MCQs to 38 Year 2 medical students and 39 Year 3 pharmacy students. Four- and five-option MCQs were converted into three-option MCQs to create two versions of the examination. Differences in response time, item difficulty and discrimination, and reliability were evaluated. Medical and pharmacy faculty judges provided three-level Angoff (TLA) ratings for all MCQs for both versions of the examination to allow the assessment of differences in cut scores. Students answered three-option MCQs an average of 5 seconds faster than they answered four- and five-option MCQs (36 seconds versus 41 seconds; p = 0.008). There were no significant differences in item difficulty and discrimination, or test reliability. Overall, the cut scores generated for three-option MCQs using the TLA ratings were 8 percentage points higher (p = 0.04). The use of three-option MCQs in a health professions examination resulted in a time saving equivalent to the completion of 16% more MCQs per 1-hour testing period, which may increase content validity and test score reliability, and minimise construct under-representation. The higher cut scores may result in higher failure rates if an absolute standard setting method, such as the TLA method, is used. The results from this study provide a cautious indication to health professions educators that using three-option MCQs does not threaten validity and may strengthen it by allowing additional MCQs to be tested in a fixed amount

  8. 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.

  9. 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.

  10. Core Outcome Set-STAndards for Reporting: The COS-STAR Statement.

    Science.gov (United States)

    Kirkham, Jamie J; Gorst, Sarah; Altman, Douglas G; Blazeby, Jane M; Clarke, Mike; Devane, Declan; Gargon, Elizabeth; Moher, David; Schmitt, Jochen; Tugwell, Peter; Tunis, Sean; Williamson, Paula R

    2016-10-01

    Core outcome sets (COS) can enhance the relevance of research by ensuring that outcomes of importance to health service users and other people making choices about health care in a particular topic area are measured routinely. Over 200 COS to date have been developed, but the clarity of these reports is suboptimal. COS studies will not achieve their goal if reports of COS are not complete and transparent. In recognition of these issues, an international group that included experienced COS developers, methodologists, journal editors, potential users of COS (clinical trialists, systematic reviewers, and clinical guideline developers), and patient representatives developed the Core Outcome Set-STAndards for Reporting (COS-STAR) Statement as a reporting guideline for COS studies. The developmental process consisted of an initial reporting item generation stage and a two-round Delphi survey involving nearly 200 participants representing key stakeholder groups, followed by a consensus meeting. The COS-STAR Statement consists of a checklist of 18 items considered essential for transparent and complete reporting in all COS studies. The checklist items focus on the introduction, methods, results, and discussion section of a manuscript describing the development of a particular COS. A limitation of the COS-STAR Statement is that it was developed without representative views of low- and middle-income countries. COS have equal relevance to studies conducted in these areas, and, subsequently, this guideline may need to evolve over time to encompass any additional challenges from developing COS in these areas. With many ongoing COS studies underway, the COS-STAR Statement should be a helpful resource to improve the reporting of COS studies for the benefit of all COS users.

  11. Variation in assessment and standard setting practices across UK undergraduate medicine and the need for a benchmark.

    Science.gov (United States)

    MacDougall, Margaret

    2015-10-31

    The principal aim of this study is to provide an account of variation in UK undergraduate medical assessment styles and corresponding standard setting approaches with a view to highlighting the importance of a UK national licensing exam in recognizing a common standard. Using a secure online survey system, response data were collected during the period 13 - 30 January 2014 from selected specialists in medical education assessment, who served as representatives for their respective medical schools. Assessment styles and corresponding choices of standard setting methods vary markedly across UK medical schools. While there is considerable consensus on the application of compensatory approaches, individual schools display their own nuances through use of hybrid assessment and standard setting styles, uptake of less popular standard setting techniques and divided views on norm referencing. The extent of variation in assessment and standard setting practices across UK medical schools validates the concern that there is a lack of evidence that UK medical students achieve a common standard on graduation. A national licensing exam is therefore a viable option for benchmarking the performance of all UK undergraduate medical students.

  12. 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.

  13. 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.

  14. 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

  15. X-ray cinematographic determination of standard values of pharyngeal motility as a basis for diagnostic evaluation of pathologic changes

    International Nuclear Information System (INIS)

    Hannig, C.; Hess, U.

    1998-01-01

    The study was intended to reveal a normal bolus, yield standard values of the pharyngeal motility, define reference data and use them for verification with patient groups with known pathologic changes. Furthermore, the dependence of standard values on the physiological ageing process and various bolus volumina was tested. (orig./CB) [de

  16. 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.

  17. Assessing the reliability of the borderline regression method as a standard setting procedure for objective structured clinical examination

    Directory of Open Access Journals (Sweden)

    Sara Mortaz Hejri

    2013-01-01

    Full Text Available Background: One of the methods used for standard setting is the borderline regression method (BRM. This study aims to assess the reliability of BRM when the pass-fail standard in an objective structured clinical examination (OSCE was calculated by averaging the BRM standards obtained for each station separately. Materials and Methods: In nine stations of the OSCE with direct observation the examiners gave each student a checklist score and a global score. Using a linear regression model for each station, we calculated the checklist score cut-off on the regression equation for the global scale cut-off set at 2. The OSCE pass-fail standard was defined as the average of all station′s standard. To determine the reliability, the root mean square error (RMSE was calculated. The R2 coefficient and the inter-grade discrimination were calculated to assess the quality of OSCE. Results: The mean total test score was 60.78. The OSCE pass-fail standard and its RMSE were 47.37 and 0.55, respectively. The R2 coefficients ranged from 0.44 to 0.79. The inter-grade discrimination score varied greatly among stations. Conclusion: The RMSE of the standard was very small indicating that BRM is a reliable method of setting standard for OSCE, which has the advantage of providing data for quality assurance.

  18. Antarctica's Princess Elisabeth research station setting new standards in renewable energy design

    International Nuclear Information System (INIS)

    Anon.

    2009-01-01

    The first zero emission research platform that was recently inaugurated in Antarctica. The Princess Elisabeth research station, which is operated by the International Polar Foundation (IPF), is the only polar base to operate entirely on renewable energy. It was commissioned by the Belgian government to better understand the mechanism of climate change. The research station sets new standards in advanced design methodology. It demonstrates that the techniques and technology being used in extreme conditions could be a model for both commercial and domestic applications in more temperate areas around the world. Renewable energy sources are used along with passive housing techniques, optimization of energy consumption and best waste management practices. Solar energy provides about 30 per cent of the station's electricity supply through PV solar panels. Solar energy also provides hot water through solar thermal panels. Newly developed vacuum tube thermal panels reduce conducted heat loss and convert 70 per cent of the solar energy into useable thermal energy. The station's water treatment unit will recycle 100 per cent of its water and reuse 75 per cent of it using technology developed for future spaceships. After purification and neutralization, the recycled water is allocated to a second use for showers, toilets and washing machines. The research station uses passive building techniques. Its insulation, shape, orientation and window disposition allow comfortable ambient temperature to be maintained inside the building with little energy input. Wind power is responsible for about 70 per cent of the station's total electricity requirement. This is provided by 9 wind turbines that are designed to withstand the harsh conditions in Antarctica. This article also described the advanced power management system at the station, with particular reference to its SCADA human interface, the three-phase AC, the battery grid, evacuation of surplus energy and wiring system. 4 figs

  19. NODC Standard Product: World Ocean Atlas 2001 (6 disc set) (NODC Accession 0095600)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The World Ocean Atlas 2001 (WOA01) Series consists of two sets of products. The first set of products consists of three DATA CD-ROMs containing global data...

  20. 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

  1. 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.

  2. 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.

  3. Setting Performance Standards for Technical and Nontechnical Competence in General Surgery.

    Science.gov (United States)

    Szasz, Peter; Bonrath, Esther M; Louridas, Marisa; Fecso, Andras B; Howe, Brett; Fehr, Adam; Ott, Michael; Mack, Lloyd A; Harris, Kenneth A; Grantcharov, Teodor P

    2017-07-01

    The objectives of this study were to (1) create a technical and nontechnical performance standard for the laparoscopic cholecystectomy, (2) assess the classification accuracy and (3) credibility of these standards, (4) determine a trainees' ability to meet both standards concurrently, and (5) delineate factors that predict standard acquisition. Scores on performance assessments are difficult to interpret in the absence of established standards. Trained raters observed General Surgery residents performing laparoscopic cholecystectomies using the Objective Structured Assessment of Technical Skill (OSATS) and the Objective Structured Assessment of Non-Technical Skills (OSANTS) instruments, while as also providing a global competent/noncompetent decision for each performance. The global decision was used to divide the trainees into 2 contrasting groups and the OSATS or OSANTS scores were graphed per group to determine the performance standard. Parametric statistics were used to determine classification accuracy and concurrent standard acquisition, receiver operator characteristic (ROC) curves were used to delineate predictive factors. Thirty-six trainees were observed 101 times. The technical standard was an OSATS of 21.04/35.00 and the nontechnical standard an OSANTS of 22.49/35.00. Applying these standards, competent/noncompetent trainees could be discriminated in 94% of technical and 95% of nontechnical performances (P technically and nontechnically competent trainees was identified (P analysis demonstrated case experience and trainee level were both able to predict achieving the standards with an area under the curve (AUC) between 0.83 and 0.96 (P technical and nontechnical performance. Such standards are imperative to implementing summative assessments into surgical training.

  4. Setting the legal standard of care for treatment and evidence-based medicine: a case study of antenatal corticosteroids.

    Science.gov (United States)

    McMurtrie, Lachlan

    2006-11-01

    This article argues that liability for negligent medical treatment should be predicated upon a standard of care reflecting what is medically and scientifically reasonable. Legal science (jurisprudence) and medical science (evidence-based medicine) should be reconciled to improve patient care and outcomes. The use of antenatal corticosteroids in obstetrics during the 1990s illustrates how most jurisprudence for setting the standard of care for treatment is ill equipped to meet the fundamental aims of tort law. The proliferation of evidence-based medical practice provides a unique opportunity for the law to encourage best medical practice when setting the standard of care for treatment. It is argued that, eventually, the law should recognise clinical practice guidelines as the prima facie standard of care for treatment. This will provide legal certainty, appropriate medical practitioner accountability, and ultimately improve patient care and outcomes.

  5. ISO 31000:2009--Setting a new standard for risk management.

    Science.gov (United States)

    Purdy, Grant

    2010-06-01

    Last year saw the publication of IS0 31000:2009, a new globally accepted standard for risk management together with a new, associated vocabulary in ISO Guide 73:2009. These were developed through a consensus-driven process over four years, through seven drafts, and involving the input of hundreds of risk management professionals around the world. The new standard supports a new, simple way of thinking about risk and risk management and is intended to begin the process of resolving the many inconsistencies and ambiguities that exist between many different approaches and definitions. While most decisionmakers seem to welcome the new standard and it has so far received very good reviews, it does create challenges for those who use language and approaches that are unique to their area of work but different from the new standard and guide. The need for compromise and change is the inevitable consequence of standardization.

  6. Designing electronic equipment on the basis of standard mechanical structures using internet re­sour­ces

    Directory of Open Access Journals (Sweden)

    Karlangach A. P.

    2016-12-01

    Full Text Available The author proposes a method to design electronic equipment based on functional-node design method that involves the use of 2D- and 3D- models mechanical structures for electronic equipment as a way to reduce development time and errors when creating design documentation for electronic equipment. At present, most areas of science and technology are computerized, more problems in designing electronic equipment are dealt with using computer-aided design (CAD and Computer-aided manufacturing (CAM to reduce the time required for development and manufacturing of electronic equipment. Development of design documentation also requires a more effective approach, because the less the time for development of the design documentation is, the faster the developed device will go into production. The aim of the study is to develop a method of designing electronic equipment using 2D and 3D models of standard mechanical structures for electronic equipment using Internet resources. Based on the presented methods is an example of designing a device from standard bearing structures. Compared with traditional technology, the method of designing electronic equipment using standard parts has the following advantages: - reduces time and improves quality of development through the use of existing design documentation; - accelerates the implementation and introducing into production processes; - increases unification of design solutions.

  7. The grasshoppers and the great cattle: an exploration of participation in the ASB's standard-setting process

    OpenAIRE

    Gilfedder, Doreen; Ó hÓgartaigh, Ciarán

    1997-01-01

    This paper presents the results of a research study of participation in the Accounting Standards Board’s (‘the ASB’) standard setting processes. It replicates studies of a similar nature carried out in the US and Australia or in specific contexts (e.g. Operating and Financial Review) in the UK. The study considers the 1,519 responses to the ASB’s proposals for accounting standards. Consistent with the findings of other studies, the study finds that there is a high level of preparer partici...

  8. NODC Standard Product: World Ocean Atlas 1994 (11 disc set) (NODC Accession 0098057)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Observed and standard level profile data (along with quality control flags) used in the production of these atlases were made available in a World Ocean Atlas 1994...

  9. 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.

  10. 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

  11. A proposed set of metrics for standardized outcome reporting in the management of low back pain

    DEFF Research Database (Denmark)

    Clement, R Carter; Welander, Adina; Stowell, Caleb

    2015-01-01

    metrics through a 6-round modified Delphi process. The scope of the outcome set was degenerative lumbar conditions. RESULTS: Patient-reported metrics include numerical pain scales, lumbar-related function using the Oswestry disability index, health-related quality of life using the EQ-5D-3L questionnaire...... an enormous burden of disease, no universal set of metrics has yet been accepted to measure and compare outcomes. Here, we aim to define such a set. PATIENTS AND METHODS: An international group of 22 specialists in several disciplines of spine care was assembled to review literature and select LBP outcome......-existing tools. INTERPRETATION: The outcome measures recommended here are structured around specific etiologies of LBP, span a patient's entire cycle of care, and allow for risk adjustment. Thus, when implemented, this set can be expected to facilitate meaningful comparisons and ultimately provide a continuous...

  12. NODC Standard Product: Atlas of surface marine data 1994 (9 disc set) (NCEI Accession 0101474)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — A set of 9 CD-ROMs were produced to accompany the analog publication Atlas of Surface Marine Data, 1994. Each CD-ROM contains monthly mean objectively analyzed...

  13. NODC Standard Product: NOAA Marine environmental buoy database Webdisc (7 disc set) (NCEI Accession 0090141)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This CD-ROM set contains the historic archive of meteorological and oceanographic data collected by moored buoys and C-MAN stations operated by the NOAA National...

  14. 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…

  15. [Prediction of the total Japanese cedar pollen counts based on male flower-setting conditions of standard trees].

    Science.gov (United States)

    Yuta, Atsushi; Ukai, Kotaro; Sakakura, Yasuo; Tani, Hideshi; Matsuda, Fukiko; Yang, Tian-qun; Majima, Yuichi

    2002-07-01

    We made a prediction of the Japanese cedar (Cryptomeria japonica) pollen counts at Tsu city based on male flower-setting conditions of standard trees. The 69 standard trees from 23 kinds of clones, planted at Mie Prefecture Science and Technology Promotion Center (Hakusan, Mie) in 1964, were selected. Male flower-setting conditions for 276 faces (69 trees x 4 points of the compass) were scored from 0 to 3. The average of scores and total pollen counts from 1988 to 2000 was analyzed. As the results, the average scores from standard trees and total pollen counts except two mass pollen-scattered years in 1995 and 2000 had a positive correlation (r = 0.914) by linear function. On the mass pollen-scattered years, pollen counts were influenced from the previous year. Therefore, the score of the present year minus that of the previous year were used for analysis. The average scores from male flower-setting conditions and pollen counts had a strong positive correlation (r = 0.994) when positive scores by taking account of the previous year were analyzed. We conclude that prediction of pollen counts are possible based on the male flower-setting conditions of standard trees.

  16. The Impact of Process Instructions on Judges' Use of Examinee Performance Data in Angoff Standard Setting Exercises

    Science.gov (United States)

    Mee, Janet; Clauser, Brian E.; Margolis, Melissa J.

    2013-01-01

    Despite being widely used and frequently studied, the Angoff standard setting procedure has received little attention with respect to an integral part of the process: how judges incorporate examinee performance data in the decision-making process. Without performance data, subject matter experts have considerable difficulty accurately making the…

  17. Standard Setting for Next Generation TOEFL Academic Speaking Test (TAST): Reflections on the ETS Panel of International Teaching Assistant Developers

    Science.gov (United States)

    Papajohn, Dean

    2006-01-01

    While many institutions have utilized TOEFL scores for international admissions for many years, a speaking section has never before been a required part of TOEFL until the development of the iBT/Next Generation TOEFL. So institutions will need to determine how to set standards for the speaking section of TOEFL, also known as TOEFL Academic…

  18. The regulatory framework of accounting and accounting standard-setting bodies in the European Union member states

    Directory of Open Access Journals (Sweden)

    Ivana Mamić-Sačer

    2015-12-01

    Full Text Available One of the principal features of accounting in the 21st century is harmonisation and stanardisation. Regulation of the European Parliament and European Council No. 1606/2002 harmonizes financial reporting for certain companies in the EU. However, national accounting principles are of great importance for financial reporting. The main purpose of this research was to investigate the application of generally accepted accounting principles, the regulatory accounting framework and the standard-setting bodies of EU member states. The analysis of these accounting issues was conducted with respect to all 28 EU member states. The results indicate that EU member states regulate their principal accounting issues through separate accounting acts or implement those issues in companies acts. Some EU member states do not have national accounting standards, the national accounting principles being incorporated in companies acts and accounting acts. Nevertheless, national accounting standard-setting bodies are governmental organisations in almost half the member states.

  19. Setting standards for CSR : a comparative case study on criteria-formulating organizations

    NARCIS (Netherlands)

    Ingenbleek, P.T.M.; Binnekamp, M.H.A.; Goddijn, S.T.

    2007-01-01

    Though criteria-formulating organizations (CFOs) ¿ organizations in which business and community stakeholders cooperate to formulate standards for ethical issues ¿ play an important role in the relationship between firms and society, they receive scant attention from CSR researchers. Adopting an

  20. 78 FR 14717 - Energy Conservation Standards for Set-Top Boxes: Availability of Initial Analysis

    Science.gov (United States)

    2013-03-07

    ... quantitative output of this model is the industry net present value (INPV), which DOE calculates as the sum of... consumer cost of capital and puts the LCC in present-value terms. The PBP represents the number of years... present value (NPV) of total consumer costs and savings expected to result from potential new standards at...

  1. Use of Standard Deviations as Predictors in Models Using Large-Scale International Data Sets

    Science.gov (United States)

    Austin, Bruce; French, Brian; Adesope, Olusola; Gotch, Chad

    2017-01-01

    Measures of variability are successfully used in predictive modeling in research areas outside of education. This study examined how standard deviations can be used to address research questions not easily addressed using traditional measures such as group means based on index variables. Student survey data were obtained from the Organisation for…

  2. Incorporation of biomagnification in procedures for environmental risk assessment and standard setting

    NARCIS (Netherlands)

    Luttik R; Traas TP; de Greef J

    1992-01-01

    Recently methods have been developed in the Netherlands to assess quality standards for the environment. Maximum permissible concentrations have been derived for direct exposure to environmental media. In 1991 two simple foodchains were analyzed at the RIVM. - Water --> Fish --> Fish-eating

  3. Setting out the (Un) Welcome Mat: A Portrayal of Immigration in State Standards for American History

    Science.gov (United States)

    Journell, Wayne

    2009-01-01

    This article frames history education as a social construction designed to create a national identity through the inclusion, exclusion, and treatment of various societal groups. Using this lens, the author analyzes curriculum standards from nine states that annually assess student knowledge of American history to better understand the depiction of…

  4. Accuracy of Gallagher’s Classification in Detecting Overweightness and Obesity on the Basis of World Health Organization Gold Standards Cutoff Points

    Directory of Open Access Journals (Sweden)

    A.S. Jahanlou

    2015-04-01

    Full Text Available Introduction & Objective: In the year 2000, Gallagher presented a new classification for body mass on the basis of the Percentile of Body Fat (PBF, age, and sex. The World Health Organization defines gold standard for obesity as PBF>25% in men and >35% in women. The primary purpose of the study was to evaluate the accuracy of Gallagher’s classification in detecting overweightness and obesity on the basis of WHO gold standard cutoff points. Materials & Methods: In this cross sectional- descriptive study the sample consisted of 20163 adults. Body composition measures were obtained, using the Bioelectrical Impedance Analysis (BIA. The detection of obesity was done by computing sensitivity, specificity, Positive Predictive Power (PPV and Negative Predictive Power (NPV for various age and sex groups. Results: There were 14270 women and 5893 men, ranging in age from 18 to 85 years, who participated in the study between 2009 and 2014. On the basis of Gallagher’s classification, 2549 (43.2% men and 2992 (21% women were obese. The WHO gold standard cutoff points showed that 7126 (49.9% women and 3208 men (54.4% met the criteria for being classified as obese. The sensitivity ranged from 53.9% to 100% in males and 38% to 85% in females. The range of specificity among males was from 99.4% to 100%; it was 100% among females. The NPV ranged from 29.8% to 100% in males and 14.1% to 84.3% in females.The PPV ranged from 99.8% to 100 in males and it was 100% in females. Among females, the increase in age was associated with decrease in sensitivity and NPV. Conclusion: Gallagher’s classification is accurate in detecting overweightness and obesity among males between the ages of 18 and 40; however, it is questionable among females. (Sci J Hamadan Univ Med Sci 2015; 22 (1:48-54

  5. USEPA consideration of human intrusion in setting radioactive waste disposal standards

    International Nuclear Information System (INIS)

    Egan, D.J.; Hadlock, C.R.

    1989-01-01

    In 1985, the United States Environmental Protection Agency (USEPA) promulgated standards for the disposal of spent nuclear fuel and high-level and transuranic radioactive wastes (40 CFR Part 191). These standards placed limits, called containment requirements, on the projected releases of radioactivity due to both normal and accidental events for 10,000 years after disposal. The standards also contained qualitative assurance requirements that described the role foreseen for both active and passive institutional controls. They included both requirements for such institutional controls and limitations on the ways that they could be relied upon. This paper describes these assumptions about institutional controls made by the USEPA, and it discusses the types of future societies that would be consistent with such assumptions. The paper also reviews the USEPA's approach towards assessing the long-term performance of mined geologic repositories. In these assessments, the risks caused by inadvertent human intrusion into the area of a repository usually dominate the risks projected from other release scenarios. The assumptions made about inadvertent intrusion are discussed, and they are related to the policies regarding institutional controls. The disposal standards that the USEPA promulgated in 1985 were overturned by a Federal court in 1987, and the Agency is now preparing revised standards for public review and comment. These are expected to by published in 1990. However, the approaches regarding institutional controls and human intrusion are expected to remain the same as those used in 1985. Some paragraphs (selected by the NEA Secretariat) of 40 CFR Part 191, subpart B (as of 1985 version) with particular relevance to human intrusion are cited

  6. Minimum standard guidelines of care on requirements for setting up a laser room

    Directory of Open Access Journals (Sweden)

    Dhepe Niteen

    2009-08-01

    Full Text Available Introduction, definition, rationale and scope: Lasers are now becoming an integral part of dermatological practice in India, with more and more dermatologists starting laser dermatology practice. Lasers, when are used with care, by properly trained operators, in carefully designed environment, can deliver a range of useful aesthetic and dermatologic treatments. Facility: Laser treatment is an office procedure, hence it does not require hospital set-up. The laser room facility requires careful planning keeping in mind safety of both patient and operator, convenience of operating, and optimum handling of costly equipments. The facility should be designed to handle procedures under local anesthesia and sedation. Facilities, staff and equipment to handle any emergencies should be available. Location: A room in existing dermatology clinic can be adequately converted to a laser room. Dimensions of laser room, its door and patient′s table should be such that it should facilitate easy movement of patient, machine trolley, operator and assistant in case of routine procedures and in emergency. Physician Qualification: Any dermatologist with MD or diploma in dermatology can do laser procedures, provided he/ she has acquired necessary skills by virtue of training, observing a competent dermatologist. Such training may be obtained during post graduation or later in specified workshops or courses under a competent dermatologist or at centre which routinely performs such procedures. Electricity and uninterrupted power supply: Laser equipments should be connected to stabilizer or UPS circuits only. Preferably an on line UPS as recommended by the laser company should be installed. Earthing of the equipment is essential to avoid damage to the equipment and electrical shocks to the operator. Sufficient power back up to complete the procedure if power is off midway, is essential. Air-conditioning: Laser machines should be operated in low ambient temperature, with

  7. Formal participation in the IASB's due process of standard setting : A multi-issue/multiperiod analysis

    NARCIS (Netherlands)

    Jorissen, A.; Lybaert, N.; Orens, R.; van der Tas, L.G.

    2012-01-01

    This paper sets out to enquire about the nature of constituents' participation in the IASB's due process in terms of representation (constituents' diversity and characteristics) and drivers to participate. We choose to adopt a multi-issue/multi-period approach to investigate constituents' formal

  8. Setting Academic Performance Standards: MCAS vs. PARCC. Technical Report. Policy Brief

    Science.gov (United States)

    Phelps, Richard P.

    2015-01-01

    Political realities dictate that, as with any tests, passing scores on those developed by the Partnership for Assessment of Readiness for College and Careers (PARCC) will be set at a level that avoids having an unacceptable number of students fail. Since Massachusetts is by far the highest performing of the states that remain in the PARCC…

  9. International Spinal Cord Injury Core Data Set (version 2.0)-including standardization of reporting

    NARCIS (Netherlands)

    Biering-Sorensen, F.; DeVivo, M. J.; Charlifue, S.; Chen, Y.; New, P. W.; Noonan, V.; Post, M. W. M.; Vogel, L.

    Study design: The study design includes expert opinion, feedback, revisions and final consensus. Objectives: The objective of the study was to present the new knowledge obtained since the International Spinal Cord Injury (SCI) Core Data Set (Version 1.0) published in 2006, and describe the

  10. Setting global standards for stem cell research and clinical translation : The 2016 ISSCR guidelines

    NARCIS (Netherlands)

    Daley, George Q.; Hyun, Insoo; Apperley, Jane F.; Barker, Roger A.; Benvenisty, Nissim; Bredenoord, Annelien L.; Breuer, Christopher K.; Caulfield, Timothy; Cedars, Marcelle I.; Frey-Vasconcells, Joyce; Heslop, Helen E.; Jin, Ying; Lee, Richard T.; McCabe, Christopher; Munsie, Megan; Murry, Charles E.; Piantadosi, Steven; Rao, Mahendra; Rooke, Heather M.; Sipp, Douglas; Studer, Lorenz; Sugarman, Jeremy; Takahashi, Masayo; Zimmerman, Mark; Kimmelman, Jonathan

    2016-01-01

    The International Society for Stem Cell Research (ISSCR) presents its 2016 Guidelines for Stem Cell Research and Clinical Translation (ISSCR, 2016). The 2016 guidelines reflect the revision and extension of two past sets of guidelines (ISSCR, 2006; ISSCR, 2008) to address new and emerging areas of

  11. Using intranet-based order sets to standardize clinical care and prepare for computerized physician order entry.

    Science.gov (United States)

    Heffner, John E; Brower, Kathleen; Ellis, Rosemary; Brown, Shirley

    2004-07-01

    The high cost of computerized physician order entry (CPOE) and physician resistance to standardized care have delayed implementation. An intranet-based order set system can provide some of CPOE's benefits and offer opportunities to acculturate physicians toward standardized care. INTRANET CLINICIAN ORDER FORMS (COF): The COF system at the Medical University of South Carolina (MUSC) allows caregivers to enter and print orders through the intranet at points of care and to access decision support resources. Work on COF began in March 2000 with transfer of 25 MUSC paper-based order set forms to an intranet site. Physician groups developed additional order sets, which number more than 200. Web traffic increased progressively during a 24-month period, peaking at more than 6,400 hits per month to COF. Decision support tools improved compliance with Centers for Medicare & Medicaid Services core indicators. Clinicians demonstrated a willingness to develop and use order sets and decision support tools posted on the COF site. COF provides a low-cost method for preparing caregivers and institutions to adopt CPOE and standardization of care. The educational resources, relevant links to external resources, and communication alerts will all link to CPOE, thereby providing a head start in CPOE implementation.

  12. Linked Data for Fighting Global Hunger:Experiences in setting standards for Agricultural Information Management

    Science.gov (United States)

    Baker, Thomas; Keizer, Johannes

    FAO, the Food and Agriculture Organization of the UN, has the global goal to defeat hunger and eliminate poverty. One of its core functions is the generation, dissemination and application of information and knowledge. Since 2000, the Agricultural InformationManagement Standards (AIMS) activity in FAO's Knowledge Exchange and Capacity Building Division has promoted the use of Semantic Web standards to improve information sharing within a global network of research institutes and related partner organizations. The strategy emphasizes the use of simple descriptive metadata, thesauri, and ontologies for integrating access to information from a wide range of sources for both scientific and non-expert audiences. An early adopter of Semantic Web technology, the AIMS strategy is evolving to help information providers in nineteen language areas use modern Linked Data methods to improve the quality of life in developing rural areas, home to seventy percent of the world's poor and hungry people.

  13. Setting Performance Standards for a Cost-Effective Human Immunodeficiency Virus Cure Strategy in South Africa

    OpenAIRE

    Paltiel, A. David; Zheng, Amy; Weinstein, Milton C.; Gaynes, Melanie R.; Wood, Robin; Freedberg, Kenneth A.; Sax, Paul E.; Walensky, Rochelle P.

    2017-01-01

    Abstract Background. Reports of a single case of human immunodeficiency virus (HIV) eradication suggest that elimination of HIV from individuals is possible. Anticipating both increased research funding and the development of effective, durable cure technologies, we describe the circumstances under which a cure might improve survival and be cost-effective in South Africa. Methods. We adapted a simulation model comparing a hypothetical cure strategy (?Cure?) to the standard of care, lifetime a...

  14. Process-outcome interrelationship and standard setting in medical education: the need for a comprehensive approach.

    Science.gov (United States)

    Christensen, Leif; Karle, Hans; Nystrup, Jørgen

    2007-09-01

    An outcome-based approach to medical education compared to a process/content orientation is currently being discussed intensively. In this article, the process and outcome interrelationship in medical education is discussed, with specific emphasis on the relation to the definition of standards in basic medical education. Perceptions of outcome have always been an integrated element of curricular planning. The present debate underlines the need for stronger focus on learning objectives and outcome assessment in many medical schools around the world. The need to maintain an integrated approach of process/content and outcome is underlined in this paper. A worry is expressed about the taxonomy of learning in pure outcome-based medical education, in which student assessment can be a major determinant for the learning process, leaving the control of the medical curriculum to medical examiners. Moreover, curricula which favour reductionism by stating everything in terms of instrumental outcomes or competences, do face a risk of lowering quality and do become a prey for political interference. Standards based on outcome alone rise unclarified problems in relationship to licensure requirements of medical doctors. It is argued that the alleged dichotomy between process/content and outcome seems artificial, and that formulation of standards in medical education must follow a comprehensive line in curricular planning.

  15. Setting Global Standards for Stem Cell Research and Clinical Translation: The 2016 ISSCR Guidelines.

    Science.gov (United States)

    Daley, George Q; Hyun, Insoo; Apperley, Jane F; Barker, Roger A; Benvenisty, Nissim; Bredenoord, Annelien L; Breuer, Christopher K; Caulfield, Timothy; Cedars, Marcelle I; Frey-Vasconcells, Joyce; Heslop, Helen E; Jin, Ying; Lee, Richard T; McCabe, Christopher; Munsie, Megan; Murry, Charles E; Piantadosi, Steven; Rao, Mahendra; Rooke, Heather M; Sipp, Douglas; Studer, Lorenz; Sugarman, Jeremy; Takahashi, Masayo; Zimmerman, Mark; Kimmelman, Jonathan

    2016-06-14

    The International Society for Stem Cell Research (ISSCR) presents its 2016 Guidelines for Stem Cell Research and Clinical Translation (ISSCR, 2016). The 2016 guidelines reflect the revision and extension of two past sets of guidelines (ISSCR, 2006; ISSCR, 2008) to address new and emerging areas of stem cell discovery and application and evolving ethical, social, and policy challenges. These guidelines provide an integrated set of principles and best practices to drive progress in basic, translational, and clinical research. The guidelines demand rigor, oversight, and transparency in all aspects of practice, providing confidence to practitioners and public alike that stem cell science can proceed efficiently and remain responsive to public and patient interests. Here, we highlight key elements and recommendations in the guidelines and summarize the recommendations and deliberations behind them. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  16. Setting Global Standards for Stem Cell Research and Clinical Translation: The 2016 ISSCR Guidelines

    Directory of Open Access Journals (Sweden)

    George Q. Daley

    2016-06-01

    Full Text Available The International Society for Stem Cell Research (ISSCR presents its 2016 Guidelines for Stem Cell Research and Clinical Translation (ISSCR, 2016. The 2016 guidelines reflect the revision and extension of two past sets of guidelines (ISSCR, 2006; ISSCR, 2008 to address new and emerging areas of stem cell discovery and application and evolving ethical, social, and policy challenges. These guidelines provide an integrated set of principles and best practices to drive progress in basic, translational, and clinical research. The guidelines demand rigor, oversight, and transparency in all aspects of practice, providing confidence to practitioners and public alike that stem cell science can proceed efficiently and remain responsive to public and patient interests. Here, we highlight key elements and recommendations in the guidelines and summarize the recommendations and deliberations behind them.

  17. Minimum standard guidelines of care on requirements for setting up a laser room

    OpenAIRE

    Dhepe Niteen

    2009-01-01

    Introduction, definition, rationale and scope: Lasers are now becoming an integral part of dermatological practice in India, with more and more dermatologists starting laser dermatology practice. Lasers, when are used with care, by properly trained operators, in carefully designed environment, can deliver a range of useful aesthetic and dermatologic treatments. Facility: Laser treatment is an office procedure, hence it does not require hospital set-up. The laser room facility requires car...

  18. Regional cooperation in energy efficiency standard-setting and labeling in North America

    Energy Technology Data Exchange (ETDEWEB)

    Wiel, Stephen; Van Wie McGrory, Laura

    2003-08-04

    The North American Energy Working Group (NAEWG) was established in 2001 by the governments of Canada, Mexico, and the United States. The goals of NAEWG are to foster communication and cooperation on energy-related matters of common interest, and to enhance North American energy trade and interconnections consistent with the goal of sustainable development, for the benefit of all three countries. At its outset, NAEWG established teams to address different aspects of the energy sector. One, the Energy Efficiency Expert Group, undertook activity in three areas: (1) analyzing commonalities and differences in the test procedures of Canada, Mexico, and the United States, and identifying specific products for which the three countries might consider harmonization; (2) exploring possibilities for increased mutual recognition of laboratory test results; and (3) looking at possibilities for enhanced cooperation in the Energy Star voluntary endorsement labeling program. To support NAEWG's Expert Group on Energy Efficiency (NAEWG-EE), USDOE commissioned Lawrence Berkeley National Laboratory, representing the Collaborative Labeling and Appliance Standards Program (CLASP), to prepare a resource document comparing current standards, labels, and test procedure regulations in Canada, Mexico, and the United States. The resulting document identified 46 energy-using products for which at least one of the three countries has energy efficiency regulations. Three products--refrigerators/freezers, room air conditioners, and integral horsepower three-phase electric motors--have identical minimum energy performance standards (MEPS) and test procedures in the three countries. Ten other products have different MEPS and test procedures, but have the near-term potential for harmonization. NAEWG-EE is currently working to identify mechanisms for mutual recognition of test results. With consultative support from the United States and Canada through NAEWG-EE, Mexico is exploring possibilities

  19. SIOP PODC adapted treatment recommendations for standard-risk medulloblastoma in low and middle income settings.

    Science.gov (United States)

    Parkes, Jeannette; Hendricks, Marc; Ssenyonga, Peter; Mugamba, John; Molyneux, Elizabeth; Schouten-van Meeteren, Antoinette; Qaddoumi, Ibrahim; Fieggen, Graham; Luna-Fineman, Sandra; Howard, Scott; Mitra, Dipayan; Bouffet, Eric; Davidson, Alan; Bailey, Simon

    2015-04-01

    Effective treatment of children with medulloblastoma requires a functioning multi-disciplinary team with adequate neurosurgical, neuroradiological, pathological, radiotherapy and chemotherapy facilities and personnel. In addition the treating centre should have the capacity to effectively screen and manage any tumour and treatment-associated complications. These requirements have made it difficult for many low and middle-income countries (LMIC) centres to offer curative treatment. This article provides management recommendations for children with standard-risk medulloblastoma (localised tumours in children over the age of 3-5 years) according to the level of facilities available. © 2014 Wiley Periodicals, Inc.

  20. Reducing market distortions by setting harmonized standards for decommissioning and waste management funds in Europe

    International Nuclear Information System (INIS)

    Irrek, W.

    2002-01-01

    There are significant differences in the operation and accessibility of decommissioning and waste management funds in Europe. The diverging standards for these funds cause substantial market distortions and discrimination between competing electricity producers. Although there are different views regarding the question, if provisions for decommissioning and final waste disposal constitute prohibited state aid within the meaning of Article 87 (1) EC Treaty, and although the decommissioning and waste management funds is not a new issue, the liberalisation process across the EU means that this issue is one which must be addressed quickly by EU and national policy. (author)

  1. The Galician Beverage Picture Set (GBPS): A standardized database of alcohol and non-alcohol images.

    Science.gov (United States)

    López-Caneda, E; Carbia, C

    2018-03-01

    The available picture sets in alcohol research are scarce and display a number of limitations, including poor picture quality, limited number of stimuli and absence of non-alcohol and/or real-life images. In the present study, we developed the Galician Beverage Picture Set (GBPS), a database of high-quality alcohol and non-alcohol pictures embedded in real-life scenarios. A total of 201 college students (∼59% females) were assessed by the Alcohol Use Disorders Identification Test, ∼54% being characterized as no/low drinkers (N/LDs) and ∼46% as risky drinkers (RDs). The GBPS included six types of beverages: beer, wine, liquor (alcoholic drinks); water, juice, milk (non-alcoholic drinks). Additionally, two subcategories were considered: orientation (landscape, portrait) and number of people (0, 1, ≥2 people). Participants rated the images for valence, arousal and visual complexity. Objective measures of brightness and color and recognition rates were also assessed. Internal consistency was estimated using Cronbach's alpha coefficient. There was a high degree of internal consistency within each category (alcoholic and non-alcoholic drinks) for valence, arousal and visual complexity scores. A mixed-model ANOVA revealed that RDs rated alcohol pictures as more pleasant and arousing than N/LDs. Conversely, N/LDs displayed greater valence and arousal ratings than RDs for non-alcohol pictures. The GBPS provides normative data on affective (valence/arousal), perceptual (visual complexity) and physical (brightness/color) values for a large number of images that may be useful for alcohol-related research. Differences in subjective assessments between N/LDs and RDs support the picture set's suitability for studies in young drinkers. Copyright © 2018 Elsevier B.V. All rights reserved.

  2. Integrated Data Collection Analysis (IDCA) Program - Statistical Analysis of RDX Standard Data Sets

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorensen, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Phillips, Jason J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Shelley, Timothy J. [Air Force Research Lab. (AFRL), Tyndall AFB, FL (United States); Reyes, Jose A. [Applied Research Associates, Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-10-30

    The Integrated Data Collection Analysis (IDCA) program is conducting a Proficiency Test for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are statistical analyses of the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard. The material was tested as a well-characterized standard several times during the proficiency study to assess differences among participants and the range of results that may arise for well-behaved explosive materials. The analyses show that there are detectable differences among the results from IDCA participants. While these differences are statistically significant, most of them can be disregarded for comparison purposes to assess potential variability when laboratories attempt to measure identical samples using methods assumed to be nominally the same. The results presented in this report include the average sensitivity results for the IDCA participants and the ranges of values obtained. The ranges represent variation about the mean values of the tests of between 26% and 42%. The magnitude of this variation is attributed to differences in operator, method, and environment as well as the use of different instruments that are also of varying age. The results appear to be a good representation of the broader safety testing community based on the range of methods, instruments, and environments included in the IDCA Proficiency Test.

  3. Nanostructured and nanolayer coatings based on nitrides of the metals structure study and structure and composition standard samples set development

    Directory of Open Access Journals (Sweden)

    E. B. Chabina

    2014-01-01

    Full Text Available Researches by methods of analytical microscopy and the x-ray analysis have allowed to develop a set of standard samples of composition and structure of the strengthening nanostructured and nanolayer coatings for control of the strengthening nanostructured and nanolayer coatings based on nitrides of the metals used to protect critical parts of the compressor of the gas turbine engine from dust erosion, corrosion and oxidation.

  4. Validation of five minimally obstructive methods to estimate physical activity energy expenditure in young adults in semi-standardized settings

    DEFF Research Database (Denmark)

    Schneller, Mikkel Bo; Pedersen, Mogens Theisen; Gupta, Nidhi

    2015-01-01

    ActivPAL3 software (ActivPAL), ActiGraph GT3X+ (ActiGraph) and Actiheart (Actiheart), and by a combination of activity type recognition via Acti4 software and activity counts per minute (CPM) of either a hip- or thigh-worn ActiGraph GT3X+ (AGhip + Acti4 and AGthigh + Acti4). At group level, estimated......-standardized settings compared to previously validated methods using CPM only....

  5. PROCAL: A Set of 40 Peptide Standards for Retention Time Indexing, Column Performance Monitoring, and Collision Energy Calibration.

    Science.gov (United States)

    Zolg, Daniel Paul; Wilhelm, Mathias; Yu, Peng; Knaute, Tobias; Zerweck, Johannes; Wenschuh, Holger; Reimer, Ulf; Schnatbaum, Karsten; Kuster, Bernhard

    2017-11-01

    Beyond specific applications, such as the relative or absolute quantification of peptides in targeted proteomic experiments, synthetic spike-in peptides are not yet systematically used as internal standards in bottom-up proteomics. A number of retention time standards have been reported that enable chromatographic aligning of multiple LC-MS/MS experiments. However, only few peptides are typically included in such sets limiting the analytical parameters that can be monitored. Here, we describe PROCAL (ProteomeTools Calibration Standard), a set of 40 synthetic peptides that span the entire hydrophobicity range of tryptic digests, enabling not only accurate determination of retention time indices but also monitoring of chromatographic separation performance over time. The fragmentation characteristics of the peptides can also be used to calibrate and compare collision energies between mass spectrometers. The sequences of all selected peptides do not occur in any natural protein, thus eliminating the need for stable isotope labeling. We anticipate that this set of peptides will be useful for multiple purposes in individual laboratories but also aiding the transfer of data acquisition and analysis methods between laboratories, notably the use of spectral libraries. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Implementing standardized, inter-unit communication in an international setting: handoff of patients from emergency medicine to internal medicine.

    Science.gov (United States)

    Balhara, Kamna S; Peterson, Susan M; Elabd, Mohamed Moheb; Regan, Linda; Anton, Xavier; Al-Natour, Basil Ali; Hsieh, Yu-Hsiang; Scheulen, James; Stewart de Ramirez, Sarah A

    2017-02-03

    Standardized handoffs may reduce communication errors, but research on handoff in community and international settings is lacking. Our study at a community hospital in the United Arab Emirates characterizes existing handoff practices for admitted patients from emergency medicine (EM) to internal medicine (IM), develops a standardized handoff tool, and assesses its impact on communication and physician perceptions. EM physicians completed a survey regarding handoff practices and expectations. Trained observers utilized a checklist based on the Systems Engineering Initiative for Patient Safety model to observe 40 handoffs. EM and IM physicians collaboratively developed a written tool encouraging bedside handoff of admitted patients. After the intervention, surveys of EM physicians and 40 observations were subsequently repeated. 77.5% of initial observed handoffs occurred face-to-face, with 42.5% at bedside, and in four different languages. Most survey respondents considered face-to-face handoff ideal. Respondents noted 9-13 patients suffering harm due to handoff in the prior month. After handoff tool implementation, 97.5% of observed handoffs occurred face-to-face (versus 77.5%, p = 0.014), with 82.5% at bedside (versus 42.5%, p international, non-academic setting. Our three-step approach can be applied towards developing standardized, context-specific inter-specialty handoff in a variety of settings.

  7. 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.

  8. 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.

  9. 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.

  10. Evidence-based medicine: the time has come to set standards for staging

    DEFF Research Database (Denmark)

    Quirke, Phil; Cuvelier, Claude; Ensari, Arzu

    2010-01-01

    think that TNM should be a continual reactive process, rather than a proactive process. Changes should only occur after extensive discussion within the community, and before the introduction of any changes these should be tested for reproducibility and compared to the currently used gold standard. TNM......For international communication in cancer, staging systems such as TNM are essential; however, the principles and processes used to decide about changes in every new edition of TNM need to be subject to debate. Changes with major impact for patient treatment are introduced without evidence. We....... It is time for the principles of staging to be widely debated and new principles and processes to be introduced to ensure that we are not in the same situation in the future. The disparity between therapeutic decision making and TNM staging is marked and we would appeal for the radical overhaul of TNM...

  11. Integrated monitoring: Setting new standards for the next decade of clinical trial practice

    Directory of Open Access Journals (Sweden)

    Kamala Rai

    2011-01-01

    Full Text Available The new age clinical research professional is now geared toward an "integrated monitoring" approach. A number of critical activities at the site level and at the sponsor′s organization need convergence to harness rich dividends in early study start and quick close of the study. The field monitor needs full integration to ensure standard of care, train the site in protocol, select the right site, ensure regulatory support, ensure excellent project management skills, coach, support the logistics team, manage the vendor, ensure good documentation practices, develop patient recruitment and retention, lean the applicable process, as well as ensure effective site management amongst the myriad activities assigned toward developing the drug in the clinic.

  12. Electricity sector standard setting through CASA : a government perspective on multi-stakeholder partnerships

    International Nuclear Information System (INIS)

    Lakeman, B.

    2002-01-01

    Some background information is provided concerning new air emission standards for coal-fired generation in Alberta which were announced in June 2001 by the Environment Minister. An assessment of the situation has revealed that the existing management system is effective. The author questions whether it would be suitable to meet the challenges now emerging, such as multi-pollutant approaches, airshed approaches, cumulative effects, market-based approaches, and greenhouse gases. A Statement of Opportunity was tabled by the Alberta government with the Clean Air Strategic Alliance (CASA) board in November 2001, with the goals of outlining future emission management expectations, maintaining the competitive electricity market in Alberta, and a reduction of environmental impacts, among others. A CASA electricity project team was formed, whose stated objective was the development of an air emissions management approach to include standards and performance expectations for the electricity sector of Alberta. Stakeholders and the public were consulted for the purpose of establishing a common information base to be used in the identification of emissions to be addressed, the identification and assessment of management options and the recommendation of management approaches. The development of the terms of reference was accomplished through the establishment of a working group in January 2002. which were then approved in March 2002 by the CASA board. The budget and work plan were approved in June 2002, and an interim review is planned for November 2002 with the final report and recommendations expected in June 2003. The members of the team were listed, and some of the challenges are reviewed

  13. Legal and ethical standards for protecting women's human rights and the practice of conscientious objection in reproductive healthcare settings.

    Science.gov (United States)

    Zampas, Christina

    2013-12-01

    The practice of conscientious objection by healthcare workers is growing across the globe. It is most common in reproductive healthcare settings because of the religious or moral values placed on beliefs as to when life begins. It is often invoked in the context of abortion and contraceptive services, including the provision of information related to such services. Few states adequately regulate the practice, leading to denial of access to lawful reproductive healthcare services and violations of fundamental human rights. International ethical, health, and human rights standards have recently attempted to address these challenges by harmonizing the practice of conscientious objection with women's right to sexual and reproductive health services. FIGO ethical standards have had an important role in influencing human rights development in this area. They consider regulation of the unfettered use of conscientious objection essential to the realization of sexual and reproductive rights. Under international human rights law, states have a positive obligation to act in this regard. While ethical and human rights standards regarding this issue are growing, they do not yet exhaustively cover all the situations in which women's health and human rights are in jeopardy because of the practice. The present article sets forth existing ethical and human rights standards on the issue and illustrates the need for further development and clarity on balancing these rights and interests. Copyright © 2013 International Federation of Gynecology and Obstetrics. Published by Elsevier Ireland Ltd. All rights reserved.

  14. LABORATORY SETTING FOR TESTS OF STANDARDS ON TIREDNESS BY MEANS OF BIHARMONIC LADENING

    Directory of Open Access Journals (Sweden)

    V. N. Busko

    2015-01-01

    Full Text Available The situation when the metal structure is subjected to the simultaneous impact of two or more sources of simple stress is common in mechanical engineering, aviation and civil engineering. The fatigue life of the material by the impact of Biharmonic loading is 1.5‒4 times lower than in single-frequency operation loading. Unlike the single-frequency loading under Biharmonic loading degradation of the material is accelerated because of the intensification of the process of fatigue damage accumulation. Description of the process of damage accumulation of fatigue in the material under biharmonic loading is closer to the real situation. The aim of the workis ‒ to create an effective setting for testing of ferromagnetic samples for fatigue and durability. To achieve the objectives small-sized laboratory facility for testing ferromagnetic sample flexural fatigue developed and produced. Studies have been conducted using the method of magnetic Barkhausen effect. The article describes the design and its basic characteristics, as well as the basic technical characteristics the sample. The principle of operation is based on the bi-harmonic load acting on both ends of the sample. The device use two electric motors with two special agents of power, based on the use of rolling bearings. Installation and testing of samples by the method of independent regulation of dual-frequency cyclic loading allows to simulate the condition of the test sample in the approximation to the real working conditions. This allows a detailed investigation of fracture toughness of the material, the stages of fatigue crack propagation and identify new patterns of development of fatigue. Unlike analog unit has small dimensions and weight (the length of the sample does not exceed 20 cm, width – 13 cm, height – 25 cm, weight of the unit is 12 kg. Use of the setting can improve performance and reliability of tests in two times.

  15. Deriving Daytime Variables From the AmeriFlux Standard Eddy Covariance Data Set

    Energy Technology Data Exchange (ETDEWEB)

    van Ingen, Catharine [Berkeley Water Center. Berkeley, CA (United States); Microsoft. San Francisco, CA (United States); Agarwal, Deborah A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Berkeley Water Center. Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); Humphrey, Marty [Univ. of Virginia, Charlottesville, VA (United States); Li, Jie [Univ. of Virginia, Charlottesville, VA (United States)

    2008-12-06

    A gap-filled, quality assessed eddy covariance dataset has recently become available for the AmeriFluxnetwork. This dataset uses standard processing and produces commonly used science variables. This shared dataset enables robust comparisons across different analyses. Of course, there are many remaining questions. One of those is how to define 'during the day' which is an important concept for many analyses. Some studies have used local time — for example 9am to 5pm; others have used thresholds on photosynthetic active radiation (PAR). A related question is how to derive quantities such as the Bowen ratio. Most studies compute the ratio of the averages of the latent heat (LE) and sensible heat (H). In this study, we use different methods of defining 'during the day' for GPP, LE, and H. We evaluate the differences between methods in two ways. First, we look at a number of statistics of GPP. Second, we look at differences in the derived Bowen ratio. Our goal is not science per se, but rather informatics in support of the science.

  16. 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

  17. A standard operating protocol (SOP) and minimum data set (MDS) for nursing and medical handover: considerations for flexible standardization in developing electronic tools.

    Science.gov (United States)

    Turner, Paul; Wong, Ming Chao; Yee, Kwang Chien

    2009-01-01

    As part of Australia's participation in the World Health Organization, the Australian Commission on Safety and Quality in Health Care (ACSQHC) is the leading federal government technical agency involved in the area of clinical handover improvement. The ACSQHC has funded a range of handover improvement projects in Australia including one at the Royal Hobart Hospital (RHH), Tasmania. The RHH project aims to investigate the potential for generalizable and transferable clinical handover solutions throughout the medical and nursing disciplines. More specifically, this project produced an over-arching minimum data set (MDS) and over-arching standardized operating protocol (SOP) based on research work on nursing and medical shift-to-shift clinical handover in general medicine, general surgery and emergency medicine. The over-arching MDS consists of five headings: situational awareness, patient identification, history and information, responsibility and tasks and accountability. The over-arching SOP has five phases: preparation; design; implementation; evaluation; and maintenance. This paper provides an overview of the project and the approach taken. It considers the implications of these standardized operating protocols and minimum data sets for developing electronic clinical handover support tools. Significantly, the paper highlights a human-centred design approach that actively involves medical and nursing staff in data collection, analysis, interpretation, and systems design. This approach reveals the dangers of info-centrism when considering electronic tools, as information emerges as the only factor amongst many others that influence the efficiency and effectiveness of clinical handover.

  18. Defining a standard set of patient-centred outcomes for lung cancer

    Science.gov (United States)

    van Bommel, Annelotte C.M.; Stowell, Caleb; Abrahm, Janet L.; Baker, Matthew; Baldotto, Clarissa S.; Baldwin, David R.; Borthwick, Diana; Carbone, David P.; Chen, Aileen B.; Fox, Jesme; Haswell, Tom; Koczywas, Marianna; Kozower, Benjamin D.; Mehran, Reza J.; Schramel, Franz M.; Senan, Suresh; Stirling, Robert G.; van Meerbeeck, Jan P.; Wouters, Michel W.J.M.

    2016-01-01

    In lung cancer, outcome measurement has been mostly limited to survival. Proper assessment of the value of lung cancer treatments, and the performance of institutions delivering care, requires more comprehensive measurement of standardised outcomes. The International Consortium for Health Outcomes Measurement convened an international, multidisciplinary working group of patient representatives, medical oncologists, surgeons, radiation oncologists, pulmonologists, palliative care specialists, registry experts and specialist nurses to review existing data and practices. Using a modified Delphi method, the group developed a consensus recommendation (“the set”) on the outcomes most essential to track for patients with lung cancer, along with baseline demographic, clinical and tumour characteristics (case-mix variables) for risk adjustment. The set applies to patients diagnosed with nonsmall cell lung cancer and small cell lung cancer. Our working group recommends the collection of the following outcomes: survival, complications during or within 6 months of treatment and patient-reported domains of health-related quality of life including pain, fatigue, cough and dyspnoea. Case-mix variables were defined to improve interpretation of comparisons. We defined an international consensus recommendation of the most important outcomes for lung cancer patients, along with relevant case-mix variables, and are working to support adoption and reporting of these measures globally. PMID:27390281

  19. Integrated Data Collection Analysis (IDCA) Program - RDX Type II Class 5 Standard, Data Set 1

    Energy Technology Data Exchange (ETDEWEB)

    Sandstrom, Mary M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Geoffrey W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pollard, Colin J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Warner, Kirstin F. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Sorenson, Daniel N. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Remmers, Daniel L. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Moran, Jesse S. [Naval Surface Warfare Center (NSWC), Indian Head, MD (United States). Indian Head Division; Shelley, Timothy J. [Air Force Research Lab. (AFRL), Tyndall AFB, FL (United States); Reyes, Jose A. [Applied Research Associates, Inc., Tyndall AFB, FL (United States); Hsu, Peter C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Whipple, Richard E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Reynolds, John G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2011-04-11

    This document describes the results of the first reference sample material—RDX Type II Class 5—examined in the proficiency study for small-scale safety and thermal (SSST) testing of explosive materials for the Integrated Data Collection Analysis (IDCA) Program. The IDCA program is conducting proficiency testing on homemade explosives (HMEs). The reference sample materials are being studied to establish the accuracy of traditional explosives safety testing for each performing laboratory. These results will be used for comparison to results from testing HMEs. This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The results of the study will add SSST testing results for a broad suite of different HMEs to the literature, potentially suggest new guidelines and methods for HME testing, and possibly establish what are the needed accuracies in SSST testing to develop safe handling practices. Described here are the results for impact, friction, electrostatic discharge, and scanning calorimetry analysis of a reference sample of RDX Type II Class 5. The results from each participating testing laboratory are compared using identical test material and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. These results are then compared to historical data from various sources. The performers involved are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Air Force Research Laboratory/ RXQL (AFRL), Indian Head Division, Naval Surface Warfare Center, (IHD-NSWC), and Sandia National Laboratories (SNL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to understand how to compare results when test protocols are not identical.

  20. A comparison of two standard-setting approaches in high-stakes clinical performance assessment using generalizability theory.

    Science.gov (United States)

    Richter Lagha, Regina A; Boscardin, Christy K; May, Win; Fung, Cha-Chi

    2012-08-01

    Scoring clinical assessments in a reliable and valid manner using criterion-referenced standards remains an important issue and directly affects decisions made regarding examinee proficiency. This generalizability study of students' clinical performance examination (CPX) scores examines the reliability of those scores and of their interpretation, particularly according to a newly introduced, "critical actions" criterion-referenced standard and scoring approach. The authors applied a generalizability framework to the performance scores of 477 third-year students attending three different medical schools in 2008. The norm-referenced standard included all station checklist items. The criterion-referenced standard included only those items deemed critical to patient care by a faculty panel. The authors calculated and compared variance components and generalizability coefficients for each standard across six common stations. Norm-referenced scores had moderate generalizability (ρ = 0.51), whereas criterion-referenced scores showed low dependability (φ = 0.20). The estimated 63% of measurement error associated with the person-by-station interaction suggests case specificity. Increasing the number of stations on the CPX from 6 to 24, an impractical solution both for cost and time, would still yield only moderate dependability (φ = 0.50). Though the performance assessment of complex skills, like clinical competence, seems intrinsically valid, careful consideration of the scoring standard and approach is needed to avoid misinterpretation of proficiency. Further study is needed to determine how best to improve the reliability of criterion-referenced scores, by implementing changes to the examination structure, the process of standard-setting, or both.

  1. Official American Thoracic Society technical standards: spirometry in the occupational setting.

    Science.gov (United States)

    Redlich, Carrie A; Tarlo, Susan M; Hankinson, John L; Townsend, Mary C; Eschenbacher, William L; Von Essen, Susanna G; Sigsgaard, Torben; Weissman, David N

    2014-04-15

    This document addresses aspects of the performance and interpretation of spirometry that are particularly important in the workplace, where inhalation exposures can affect lung function and cause or exacerbate lung diseases, such as asthma, chronic obstructive pulmonary disease, or fibrosis. Issues that previous American Thoracic Society spirometry statements did not adequately address with respect to the workplace were identified for systematic review. Medline 1950-2012 and Embase 1980-2012 were searched for evidence related to the following: training for spirometry technicians; testing posture; appropriate reference values to use for Asians in North America; and interpretative strategies for analyzing longitudinal change in lung function. The evidence was reviewed and technical recommendations were developed. Spirometry performed in the work setting should be part of a comprehensive workplace respiratory health program. Effective technician training and feedback can improve the quality of spirometry testing. Posture-related changes in FEV1 and FVC, although small, may impact interpretation, so testing posture should be kept consistent and documented on repeat testing. Until North American Asian-specific equations are developed, applying a correction factor of 0.88 to white reference values is considered reasonable when testing Asian American individuals in North America. Current spirometry should be compared with previous tests. Excessive loss in FEV1 over time should be evaluated using either a percentage decline (15% plus loss expected due to aging) or one of the other approaches discussed, taking into consideration testing variability, worker exposures, symptoms, and other clinical information. Important aspects of workplace spirometry are discussed and recommendations are provided for the performance and interpretation of workplace spirometry.

  2. Development of ICF Core Sets to standardize assessment of functioning and impairment in ADHD: the path ahead.

    Science.gov (United States)

    Bölte, Sven; de Schipper, Elles; Holtmann, Martin; Karande, Sunil; de Vries, Petrus J; Selb, Melissa; Tannock, Rosemary

    2014-12-01

    In the study of health and quality of life in attention deficit/hyperactivity disorder (ADHD), it is of paramount importance to include assessment of functioning. The International Classification of Functioning, Disability and Health (ICF) provides a comprehensive, universally accepted framework for the description of functioning in relation to health conditions. In this paper, the authors outline the process to develop ICF Core Sets for ADHD. ICF Core Sets are subgroups of ICF categories selected to capture the aspects of functioning that are most likely to be affected in specific disorders. The ICF categories that will be included in the ICF Core Sets for ADHD will be determined at an ICF Core Set Consensus Conference, wherein evidence from four preliminary studies (a systematic review, an expert survey, a patient and caregiver qualitative study, and a clinical cross-sectional study) will be integrated. Comprehensive and Brief ICF Core Sets for ADHD will be developed with the goal of providing useful standards for research and clinical practice, and to generate a common language for the description of functioning in ADHD in different areas of life and across the lifespan.

  3. Docetaxel in prostate cancer: a familiar face as the new standard in a hormone-sensitive setting.

    Science.gov (United States)

    Puente, Javier; Grande, Enrique; Medina, Ana; Maroto, Pablo; Lainez, Nuria; Arranz, Jose Angel

    2017-05-01

    The increasing knowledge of prostate cancer is leading to many questions about its natural history and to reconsider conventional therapeutic strategies. Androgen ablation therapy has been the standard therapy in the advanced setting. Although docetaxel has demonstrated increased survival in patients with metastatic prostate cancer who had progressed to hormone treatments, due to its potential toxicity the role of chemotherapy has been relegated to patients who were symptomatic or who had high tumor burden. Several studies have assessed whether docetaxel could have a role in hormone-sensitive disease or even in earlier stages with no distant metastases. In the CHAARTED and STAMPEDE studies, docetaxel provides an unprecedented increase in overall survival (OS). This review summarizes the evidence behind the paradigm shift to strengthening docetaxel as a new standard of treatment that prolongs survival in earlier stages of prostate cancer.

  4. Consistency of Angoff-Based Standard-Setting Judgments: Are Item Judgments and Passing Scores Replicable across Different Panels of Experts?

    Science.gov (United States)

    Tannenbaum, Richard J.; Kannan, Priya

    2015-01-01

    Angoff-based standard setting is widely used, especially for high-stakes licensure assessments. Nonetheless, some critics have claimed that the judgment task is too cognitively complex for panelists, whereas others have explicitly challenged the consistency in (replicability of) standard-setting outcomes. Evidence of consistency in item judgments…

  5. Standard Setting in a Small Scale OSCE: A Comparison of the Modified Borderline-Group Method and the Borderline Regression Method

    Science.gov (United States)

    Wood, Timothy J.; Humphrey-Murto, Susan M.; Norman, Geoffrey R.

    2006-01-01

    When setting standards, administrators of small-scale OSCEs often face several challenges, including a lack of resources, a lack of available expertise in statistics, and difficulty in recruiting judges. The Modified Borderline-Group Method is a standard setting procedure that compensates for these challenges by using physician examiners and is…

  6. Solar set asides and renewable electricity certificates: Early lessons from North Carolina's experience with its renewable portfolio standard

    International Nuclear Information System (INIS)

    Gaul, Chip; Carley, Sanya

    2012-01-01

    This paper assesses the market developments in North Carolina's solar energy industry following the state's adoption of a renewable portfolio standard (RPS). It first reviews how solar renewable electricity certificates (SRECs) are intended to act as a support mechanism for the installation and financing of solar power in North Carolina's RPS compliance market. The paper then analyzes why SRECs have not precipitated growth in the solar industry thus far. Instead of attracting a diversity of solar installation and SREC trading businesses to create a competitive market to North Carolina, the RPS has only enabled a few large solar power producers to compete with utility companies to finance, install, and operate solar generating systems. A comparison between the SREC markets in North Carolina, Pennsylvania, and New Jersey reveals that transparency in prices and volumes of SRECs, limits on utility company self-ownership of solar generators, and more aggressive solar set-aside targets are required to create a competitive market environment that will attract a sustainable and growing solar industry. - Highlights: ► Assesses developments in NC's solar industry from renewable portfolio standard. ► Comparisons between the SREC markets in North Carolina, Pennsylvania, New Jersey. ► Transparency in prices and limits on utility self-ownership are necessary. ► More aggressive solar set-aside targets would also help develop the solar market.

  7. Gulf Arabic nouns and verbs: A standardized set of 319 object pictures and 141 action pictures, with predictors of naming latencies.

    Science.gov (United States)

    Khwaileh, Tariq; Mustafawi, Eiman; Herbert, Ruth; Howard, David

    2018-02-15

    Standardized pictorial stimuli and predictors of successful picture naming are not readily available for Gulf Arabic. On the basis of data obtained from Qatari Arabic, a variety of Gulf Arabic, the present study provides norms for a set of 319 object pictures and a set of 141 action pictures. Norms were collected from healthy speakers, using a picture-naming paradigm and rating tasks. Norms for naming latencies, name agreement, visual complexity, image agreement, imageability, age of acquisition, and familiarity were established. Furthermore, the database includes other intrinsic factors, such as syllable length and phoneme length. It also includes orthographic frequency values (extracted from Aralex; Boudelaa & Marslen-Wilson, 2010). These factors were then examined for their impact on picture-naming latencies in object- and action-naming tasks. The analysis showed that the primary determinants of naming latencies in both nouns and verbs are (in descending order) image agreement, name agreement, familiarity, age of acquisition, and imageability. These results indicate no evidence that noun- and verb-naming processes in Gulf Arabic are influenced in different ways by these variables. This is the first database for Gulf Arabic, and therefore the norms collected from the present study will be of paramount importance for researchers and clinicians working with speakers of this variety of Arabic. Due to the similarity of the Arabic varieties spoken in the Gulf, these different varieties are grouped together under the label "Gulf Arabic" in the literature. The normative databases and the standardized pictures from this study can be downloaded from http://qufaculty.qu.edu.qa/tariq-khwaileh/download-center/ .

  8. Setting new standards

    CERN Multimedia

    2009-01-01

    ITER Director Kaname Ikeda continues the series of occasional exchanges between CERN and other laboratories world-wide. As part of this exchange, CERN Director-General Rolf Heuer wrote a message in ITER Newsline.

  9. Generally representative is representative of none: commentary on the pitfalls of IQ test standardization in multicultural settings.

    Science.gov (United States)

    Shuttleworth-Edwards, A B

    2016-10-01

    The aim of this paper is to address the issue of IQ testing within the multicultural context, with a focus on the adequacy of nationwide population-based norms vs. demographically stratified within-group norms for valid assessment purposes. Burgeoning cultural diversity worldwide creates a pressing need to cultivate culturally fair psychological assessment practices. Commentary is provided to highlight sources of test-taking bias on tests of intellectual ability that may incur invalid placement and diagnostic decisions in multicultural settings. Methodological aspects of population vs. within-group norming solutions are delineated and the challenges of culturally relevant norm development are discussed. Illustrative South African within-group comparative data are supplied to support the review. A critical evaluation of the South African WAIS-III and the WAIS-IV standardizations further serves to exemplify the issues. A flaw in both South African standardizations is failure to differentiate between African first language individuals with a background of advantaged education vs. those from educationally disadvantaged settings. In addition, the standardizations merge the performance outcomes of distinct racial/ethnic groups that are characterized by differentially advantaged or disadvantaged backgrounds. Consequently, the conversion tables are without relevance for any one of the disparate South African cultural groups. It is proposed that the traditional notion of a countrywide unitary norming (also known as 'population-based norms') of an IQ test is an unsatisfactory model for valid assessment practices in diverse cultural contexts. The challenge is to develop new solutions incorporating data from finely stratified within-group norms that serve to reveal rather than obscure cross-cultural disparity in cognitive test performance.

  10. Underreporting of side effects of standard first-line ART in the routine setting in Blantyre, Malawi.

    Science.gov (United States)

    Tapsfield, Julia; Mathews, Teena; Lungu, Molly; van Oosterhout, Joep J

    2011-12-01

    In the Malawi ART programme, 92% of 250,000 patients are using the standard first-line regime of stavudine-lamivudine-nevaripine. National ART reports indicate Blantyre, Malawi. We determined the prevalence of symptoms that are common side-effects, described discrepancies between symptoms that patients reported to us and those that had been recorded by attending staff as side-effects in the point-of-care electronic monitoring system, and studied factors associated with such discrepancies. Of 170 participants, 75 (44%) reported at least one symptom, most common were symptoms suggesting peripheral neuropathy (n=57) and lipodystrophy (n=16). Forty-six (66%) symptomatic patients said they reported symptoms to attending ART staff. Side-effects were recorded in the clinic database for just 4 patients. Toxicity recording was too low for meaningful analysis of factors associated with discrepancies between reporting and recording of side-effects. The prevalence of symptoms indicating characteristic side-effects of the standard first-line regimen was 39% based on interviews, and 2% in the electronic monitoring system. There was gross under-recording of side-effects in this setting, mainly due to not recording by ART staff. Pressure of work and insufficient perceived benefit of side-effect recording are suspected causes. Local and national ART reports do not reflect the true toxicity of the standard first line regimen.

  11. 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

  12. It's time to set some standards: Environmental classification of freshwater wetlands in New Zealand and their protection from eutrophication

    DEFF Research Database (Denmark)

    Sorrell, Brian Keith; Clarkson, Beverly

    Most natural resource plans provide protection for lakes and rivers from catchment activities leading to eutrophication. However, they are often silent about wetlands, due to the lack of information available for setting standards, defining reference conditions, and predicting responses to nutrient...... that New Zealand wetlands, like those in other temperate climates, are defined by specific alkalinity and nutrient gradients and that there is a wide range of fertility levels. Using regression tree analysis, we have identified environmental groups of wetlands with significantly distinct nutrient regimes...... and which are likely to differ in sensitivity to nutrient enrichment. Ranges of nutrients in different environmental classes and their relationship to catchment modification allowed us to model threshold levels of soil and plant indicators relevant for protection of natural character. Similarities...

  13. Low-cost matched sibling bone marrow transplant for standard-risk thalassemia in a limited-resource setting

    Directory of Open Access Journals (Sweden)

    Stalin Ramprakash

    2017-12-01

    Full Text Available Thalassemias are the most common inherited genetic disorder in India and a major public health burden with bone marrow transplant (BMT considered the only established curative therapy. We describe outcomes for patients (n = 71 with standard-risk thalassemia (liver size 80 at the last follow up. 5 patients (7% died, mortality related to transplant. Enough data existed for 2 centers in India (36/71 transplants to analyze overall costs from admission up to one-year post-BMT which revealed a median cost of Rs 7,30,445 ($11519 [Range Rs 4,52,821–10,32,842 ($ 7079–16147]. In conclusion, children with thalassemia in resource limited settings can achieve good outcomes with BMT at a reasonable cost.

  14. A standardized set of 260 pictures for Modern Greek: norms for name agreement, age of acquisition, and visual complexity.

    Science.gov (United States)

    Dimitropoulou, María; Duñabeitia, Jon Andoni; Blitsas, Panagiotis; Carreiras, Manuel

    2009-05-01

    The appropriate selection of both pictorial and linguistic experimental stimuli requires a previous language-specific standardization process of the materials across different variables. Considering that such normative data have not yet been collected for Modern Greek, in this study normative data for the color version of the Snodgrass and Vanderwart picture set (Rossion & Pourtois, 2004) were collected from 330 native Greek adults. Participants named the pictures (providing name agreement ratings) and rated them for visual complexity and age of acquisition. The obtained measures represent a useful tool for further research on Greek language processing and constitute the first picture normative study for this language. The picture norms from this study and previous ones may be downloaded from brm.psychonomic-journals.org/content/supplemental.

  15. Measuring schools' efforts to partner with parents of children served under IDEA: scaling and standard setting for accountability reporting.

    Science.gov (United States)

    Elbaum, Batya; Fisher, William P; Coulter, W Allan

    2011-01-01

    Indicator 8 of the State Performance Plan (SPP), developed under the 2004 reauthorization of the Individuals with Disabilities Education Act (IDEA 2004, Public Law 108-446) requires states to collect data and report findings related to schools' facilitation of parent involvement. The Schools' Efforts to Partner with Parents Scale (SEPPS) was developed to provide states with a means to address this new reporting requirement. Items suggested by stakeholder groups were piloted with a nationally representative sample of 2,634 parents of students with disabilities ages 5-21 in six states. Rasch scaling was used to calibrate a meaningful and invariant item hierarchy. The 78 calibrated items had measurement reliabilities ranging from .94-.97. Using data from the pilot study, stakeholders established a recommended performance standard set at a meaningful point in the item hierarchy. Implications of the findings are discussed in relation to the need for rigorous metrics within state accountability systems.

  16. Standardized electrolyte supplementation and fluid management improves survival during amphotericin therapy for cryptococcal meningitis in resource-limited settings.

    Science.gov (United States)

    Bahr, Nathan C; Rolfes, Melissa A; Musubire, Abdu; Nabeta, Henry; Williams, Darlisha A; Rhein, Joshua; Kambugu, Andrew; Meya, David B; Boulware, David R

    2014-09-01

    Amphotericin B is the preferred treatment for cryptococcal meningitis, but it has cumulative severe side effects, including nephrotoxicity, hypokalemia, and hypomagnesemia. Amphotericin-induced severe hypokalemia may predispose the patient to cardiac arrhythmias and death, and there is very little data available regarding these toxicities in resource-limited settings. We hypothesized that standardized electrolyte management during amphotericin therapy is essential to minimize toxicity and optimize survival in sub-Saharan Africa. Human immunodeficiency virus-infected, antiretroviral therapy naive adults with cryptococcal meningitis were prospectively enrolled at Mulago Hospital in Kampala, Uganda in 3 sequential cohorts with amphotericin B deoxycholate induction treatment. Intravenous fluid use was intermittent in 2001-2002, and universal in 2006-2012. In 2001-2009, serum potassium (K(+)) was monitored on days 1, 7, and 14 of treatment with replacement (K(+), Mg(2+)) per clinician discretion. In 2011-2012, K(+) was measured on days 1, 5, and approximately every 48 hours thereafter with universal electrolyte (K(+), Mg(2+)) supplementation and standardized replacement. Clinical outcomes were retrospectively compared between fluid and electrolyte management strategies. With limited intravenous fluids, the 14-day survival was 49% in 2001-2002. With universal intravenous fluids, the 30-day survival improved to 62% in 2006-2010 (P = .003). In 2011-2012, with universal supplementation of fluids and electrolytes, 30-day cumulative survival improved to 78% (P = .021 vs 2006-2010 cohort). The cumulative incidence of severe hypokalemia (<2.5 mEq/L) decreased from 38% in 2010 to 8.5% in 2011-2012 with universal supplementation (P < .001). Improved survival was seen in a resource-limited setting with proactive fluid and electrolyte management (K(+), Mg(2+)), as part of comprehensive amphotericin-based cryptococcal therapy.

  17. A new set of calibration standards for estimating the fat and mineral content of vertebrae via dual energy QCT.

    Science.gov (United States)

    Goodsitt, M M; Johnson, R H; Chesnut, C H

    1991-06-01

    A new set of calibration standards has been developed for implementing a dual-energy (DE) quantitative CT technique for estimating the fat and bone content of vertebrae. The QCT technique is based upon a three-component model of bone and utilizes calibration materials that mimic those components in their X-ray attenuation properties. The three components we chose to simulate are bone (mineral plus collagen), fat and a fat-free red marrow. This choice was predicated upon our desire to employ materials that would facilitate later experimental verification of the method. The calibration standards and a set of test samples were manufactured of tissue-simulating epoxy resins. They were employed in studies of the accuracy (consistency) and precision of the technique and in a study of 21 normal postmenopausal women. Estimates of the bone and fat content of the test samples were consistent with the manufacturer's specifications to within 13 mg/ml and 7 vol%, respectively. Long-term reproducibility (coefficient of variation) for both quantities was about 3%. The average bone content of the T12-L3 vertebrae of the human subjects was 262 +/- 32 mg/ml (152 +/- 18 mg/ml calcium hydroxyapatite or mineral) and the average fat content was 63 +/- 8%. Conventional single energy (SE) QCT measurements of these vertebrae were about 23% less than the DE mineral measurements, which is consistent with the differences between SEQCT and ash content that others have determined via chemical analysis. The DE fat content is, in absolute terms, about 15% greater than values reported in the literature and may be due to an error in the assumed composition of red marrow. The true accuracy of the bone and fat estimates is to be determined in a planned human vertebral specimen study.

  18. 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

  19. 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

  20. Development and Validation of the Standard Chinese Version of the CARE Item Set (CARE-C) for Stroke Patients.

    Science.gov (United States)

    Chang, Ke-Vin; Hung, Chen-Yu; Kao, Chien-Wei; Tan, Fuk-Tang; Gage, Barbara; Hsieh, Ching-Lin; Wang, Tyng-Guey; Han, Der-Sheng

    2015-10-01

    The Continuity Assessment Record and Evaluation (CARE) item set is a standardized, integrative scale for evaluation of functional status across acute and postacute care (PAC) providers. The aim of this study was to develop a Chinese version of the CARE (CARE-C) item set and to examine its reliability and validity for assessment of functional outcomes among stroke patients.The CARE-C was administered in two samples. Sample 1 included 30 stroke patients in the outpatient clinic setting for the purpose of examining interrater and test-retest reliabilities and internal consistency. Sample 2 included 138 stroke patients admitted to rehabilitation units for the purpose of investigating criterion-related validity with the Barthel index, Lawton Instrumental Activities of Daily Living (IADL) scale, EuroQOL five dimensions questionnaire (EQ-5D), and Mini-Mental State Examination (MMSE).The CARE-C was categorized into 11 subscales, 52 items of which were analyzed. At the subscale level, the interrater reliability and test-retest reliability expressed by intraclass correlation coefficient (ICC) ranged from 0.72 to 0.99 and 0.60 to 1.00, respectively. Six of the 11 subscales met acceptable levels of internal consistency (Cronbach alpha > 0.7). The criterion-related validity of the CARE-C showed moderate to high correlations of its subscales of cognition and basic and instrumental activities of daily living with the Barthel index, IADL scale, and MMSE.The CARE-C is a useful instrument for evaluating functional quality metrics in the Chinese stroke population. The development of the CARE-C also facilitates the assessment of the PAC program in Taiwan and future research is warranted for validating the capability of CARE-C to identify patients' functional change over time and its generalizability for nonstroke populations.

  1. Photographing Injuries in the Acute Care Setting: Development and Evaluation of a Standardized Protocol for Research, Forensics, and Clinical Practice.

    Science.gov (United States)

    Bloemen, Elizabeth M; Rosen, Tony; Cline Schiroo, Justina A; Clark, Sunday; Mulcare, Mary R; Stern, Michael E; Mysliwiec, Regina; Flomenbaum, Neal E; Lachs, Mark S; Hargarten, Stephen

    2016-05-01

    Photographing injuries in the acute setting allows for improved documentation as well as assessment by clinicians and others who have not personally examined a patient. This tool is important, particularly for telemedicine, tracking of wound healing, the evaluation of potential abuse, and injury research. Despite this, protocols to ensure standardization of photography in clinical practice, forensics, or research have not been published. In preparation for a study of injury patterns in elder abuse and geriatric falls, our goal was to develop and evaluate a protocol for standardized photography of injuries that may be broadly applied. We conducted a literature review for techniques and standards in medical, forensic, and legal photography. We developed a novel protocol describing types of photographs and body positioning for eight body regions, including instructional diagrams. We revised it iteratively in consultation with experts in medical photography; forensics; and elder, child, and domestic abuse. The resulting protocol requires a minimum of four photos of each injury at multiple distances with and without a ruler/color guide. To evaluate the protocol's efficacy, multiple research assistants without previous photography experience photographed injuries from a convenience sample of elderly patients presenting to a single large, urban, academic emergency department. A selection of these patients' images were then evaluated in a blinded fashion by four nontreating emergency medicine physicians and the inter-rater reliability between these physicians was calculated. Among the 131 injuries, from 53 patients, photographed by 18 photographers using this protocol, photographs of 25 injuries (10 bruises, seven lacerations, and eight abrasions) were used to assess characterization of the injury. Physicians' characterizations of the injuries were reliable for the size of the injury (κ = 0.91, 95% confidence interval [CI] = 0.77 to 1.00), side of the body (κ = 0.97, 95

  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. Revision of standard molar enthalpies of formation of glycine and L-alanine in the gaseous phase on the basis of theoretical calculations

    International Nuclear Information System (INIS)

    Dorofeeva, Olga V.; Ryzhova, Oxana N.

    2009-01-01

    The standard molar enthalpies of formation of urea, glycine, and L-alanine in the gaseous phase at 298.15 K were calculated by the high-level Gaussian-3X method. The agreement with the available experimental data is very good for urea and glycine and, thus, supports the high accuracy of calculated values. A significant discrepancy between theoretical and experimental enthalpy of formation values for L-alanine provides a reason to reconsider the experimental data previously used to derive the standard molar enthalpy of formation of L-alanine in the gaseous phase at 298.15 K. To obtain a more reliable value of enthalpy of sublimation at 298.15 K, the heat capacity values of gaseous L-alanine were calculated by standard statistical thermodynamics formulae using molecular parameters determined from B3LYP/cc-pVTZ calculations. With the obtained value of C p,m 0 (L-alanine, g, 298.15 K) = 112.6 ± 4.0 J . K -1 . mol -1 the original published experimental values of enthalpy of sublimation of L-alanine were readjusted to the reference temperature: Δ cr g H m (L-alanine, 298.15 K) = 135.2 ± 2.0 kJ . mol -1 . This value, together with the experimental enthalpy of formation of solid L-alanine, Δ f H m 0 (L-alanine, cr, 298.15 K) = -560.0 ± 1.0 kJ . mol -1 [S.N. Ngauv, R. Sabbah, M. Laffitte, Thermochim. Acta 20 (1977) 371-380; I. Contineanu, D.I. Marchidan, Rev. Roum. Chim. 29 (1984) 43-48], gives a new value for the enthalpy of formation of L-alanine in the gaseous phase, Δ f H m 0 (L-alanine, g, 298.15 K) = -424.8 ± 2.0 kJ . mol -1 , which is in good agreement with our theoretical G3X result, -427.6 ± 4.0 kJ . mol -1 . The same procedure for glycine allowed us to improve the literature value of the enthalpy of formation for this compound, Δ f H m 0 (glycine, g, 298.15 K) = -393.7 ± 1.5 kJ . mol -1 . As a result a set of self-consistent thermochemical data for glycine and L-alanine is proposed

  4. A systematic review of the cost and cost effectiveness of using standard oral nutritional supplements in the hospital setting.

    Science.gov (United States)

    Elia, M; Normand, C; Norman, K; Laviano, A

    2016-04-01

    There is limited information about the economic impact of nutritional support despite its known clinical benefits. This systematic review examined the cost and cost effectiveness of using standard (non-disease specific) oral nutritional supplements (ONS) administered in the hospital setting only. A systematic literature search of multiple databases, data synthesis and analysis were undertaken according to recommended procedures. Nine publications comprising four full text papers, two abstracts and three reports, one of which contained 11 cost analyses of controlled cohort studies, were identified. Most of these were based on retrospective analyses of randomised controlled trials designed to assess clinically relevant outcomes. The sample sizes of patients with surgical, orthopaedic and medical problems and combinations of these varied from 40 to 1.16 million. Of 14 cost analyses comparing ONS with no ONS (or routine care), 12 favoured the ONS group, and among those with quantitative data (12 studies) the mean cost saving was 12.2%. In a meta-analysis of five abdominal surgical studies in the UK, the mean net cost saving was £746 per patient (se £338; P = 0.027). Cost savings were typically associated with significantly improved outcomes, demonstrated through the following meta-analyses: reduced mortality (Risk ratio 0.650, P < 0.05; N = 5 studies), reduced complications (by 35% of the total; P < 0.001, N = 7 studies) and reduced length of hospital stay (by ∼2 days, P < 0.05; N = 5 surgical studies) corresponding to ∼13.0% reduction in hospital stay. Two studies also found ONS to be cost effective, one by avoiding development of pressure ulcers and releasing hospital beds, and the other by gaining quality adjusted life years. This review suggests that standard ONS in the hospital setting produce a cost saving and are cost effective. The evidence base could be further strengthened by prospective studies in which the primary outcome measures are

  5. 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.

  6. Setting effective mandatory energy efficiency standards and labelling regulations: A review of best practices in the Asia Pacific region

    International Nuclear Information System (INIS)

    Shi, Xunpeng

    2014-01-01

    Highlights: • S and L regulations are needed to materialize the various benefits of energy efficiency. • S and L regulations can appear in various formats as in the Asia–Pacific region. • Effective regime has to be clear, authoritative, open, and enforceable. • Clear policy, customisation, inclusiveness, transparency and flexibility are desirable. - Abstract: This paper attempts to inform policy makers and legislators on how to set energy efficiency standards and labelling (S and L) regulations. It draws lessons from the literature on S and L regulations in the Asia–Pacific region and from practical experience in drafting the S and L regulations for Brunei Darussalam. The paper proposes necessary components for effective S and L regulations, as follows: clear liabilities, authoritative administration, open principles for technical systems, and enforceable mechanisms. It also recommends some key issues in good practice toward effective S and L regulations, such as policy making in advance, customised legislation, inclusive and transparent legislative procedure, and flexibility in the legislation

  7. Comparison of the rationale used in setting occupational exposure standards for ionizing radiation and hazardous chemical substances

    International Nuclear Information System (INIS)

    Halton, D.M.

    1986-12-01

    Ten chemicals which create significant occupational hazard are reviewed. They are toluene diisocyanate, hydrogen fluoride, n-hexane, carbon disulphide, cadmium, inorganic mercury, cobalt, nitroglycerol, silica and vinyl chloride. Each is discussed under the headings of physiological intake and elimination in humans, characteristics of acute and chronic toxicity, sites of occupational exposure and rationale for limits of such exposure. Since radioactive substances yield ionizing radiation as the common hazard the treatment of the current permissible levels of exposure is somewhat simpler. Having set out industrial standards for exposure to hazardous substances and radionuclides, a detailed comparison is made. Exposure limits to ioninzing radiation are sufficiently low to remove the appearance of directly related injury. It is expected however that low level exposure may have a stochastic effect, that is, there is the possibility of a slightly increased incidence of neoplasms in a large exposed population, but numbers will be too small to be able to attribute any particular case to the exposure. TLVs on the other hand, depending on the particular chemical, may be high enough in the workplace to permit some directly related signs or symptoms in the exposed individual. 244 refs

  8. The Standard Days Method(®): efficacy, satisfaction and demand at regular family planning service delivery settings in Turkey.

    Science.gov (United States)

    Kursun, Zerrin; Cali, Sanda; Sakarya, Sibel

    2014-06-01

    To evaluate the demand, efficacy, and satisfaction concerning the Standard Days Method(®) (SDM; a fertility awareness method) as an option presented among other contraceptive methods at regular service delivery settings. The survey group consisted of 993 women who presented at the primary care units in Umraniye District of Istanbul, Turkey, between 1 October 2006 and 31 March 2008, and started to use a new method. Women were enrolled until reaching a limit of 250 new users for each method, or expiration of the six-month registration period. Participants were followed for up to one year of method use. The characteristics of women who chose the SDM were similar to those of participants who opted for other methods. The most common reasons for selecting it were that it is natural and causes no side effects. Fifty-one percent used the SDM for the full year, compared to 71% who chose an intrauterine device (IUD). Continuation rates were significantly lower for all other methods. During the one-year follow-up period, 12% of SDM-, 7% of pill-, 7% of condom-, 3% of monthly injection-, 1% of quarterly injection-, and 0.5% of IUD users became pregnant. The SDM had relatively high continuation rates and relatively good levels of satisfaction among participants and their husbands. It should be mentioned among the routinely offered contraceptive methods.

  9. Performance of Broiler Chickens Fed Low Protein, Limiting Amino Acid Supplemented Diets Formulated Either on Total or Standardized Ileal Digestible Amino Acid Basis

    Directory of Open Access Journals (Sweden)

    C. Basavanta Kumar

    2016-11-01

    Full Text Available The aim of present experiment was to investigate the effect of protein reduction in commercial broiler chicken rations with incorporation of de-oiled rice bran (DORB and supplementation of limiting amino acids (valine, isoleucine, and/or tryptophan with ration formulation either on total amino acid (TAA or standardized ileal digestible amino acids (SIDAA. The experimental design consisted of T1, TAA control; T2 and T3, 0.75% and 1.5% protein reduction by 3% and 6% DORB incorporation, respectively by replacing soybean meal with supplemental limiting amino acids to meet TAA requirement; T4, SIDAA control, T5 and T6, 0.75% and 1.5% protein reduction by DORB incorporation (3% and 6% with supplemental limiting amino acids on SIDAA basis. A total of 360 d-old fast growing broiler chicks (Vencobb-400 were divided into 36 homogenous groups of ten chicks each, and six dietary treatments described were allocated randomly with six replications. During 42 days trial, the feed intake was significantly (p<0.05 reduced by TAA factor compared to SIDAA factor and protein factor significantly (p<0.05 reduced the feed intake at 1.5% reduction compared to normal protein group. This was observed only during pre-starter phase but not thereafter. The cumulative body weight gain (BWG was significantly (p<0.05 reduced in TAA formulations with protein step-down of 1.5% (T3, 1,993 g compared to control (T1, 2,067 g, while under SIDAA formulations, BWG was not affected with protein reduction of 1.5% (T6, 2,076 g compared to T4 (2,129 g. The feed conversion ratio (FCR was significantly (p<0.05 reduced in both TAA and SIDAA formulations with 1.5% protein step-down (T3, 1.741; T6, 1.704 compared to respective controls (T1, 1.696; T4, 1.663. The SIDAA formulation revealed significantly (p<0.05 higher BWG (2,095 g and better FCR (1.684 compared to TAA formulation (2,028 g; 1.721. Intake of crude protein and all limiting amino acids (SID basis was higher in SIDAA group than TAA

  10. TECHNICAL BASIS FOR DOE STANDARD 3013 EQUIVALENCY SUPPORTING REDUCED TEMPERATURE STABILIZATION OF OXALATE-DERIVED PLUTONIUM OXIDE PRODUCED BY THE HB-LINE FACILITY AT SAVANNAH RIVER SITE

    Energy Technology Data Exchange (ETDEWEB)

    Duffey, J.; Livingston, R.; Berg, J.; Veirs, D.

    2012-07-02

    The HB-Line (HBL) facility at the Savannah River Site (SRS) is designed to produce high-purity plutonium dioxide (PuO{sub 2}) which is suitable for future use in production of Mixed Oxide (MOX) fuel. The MOX Fuel Fabrication Facility (MFFF) requires PuO{sub 2} feed to be packaged per the U.S. Department of Energy (DOE) Standard 3013 (DOE-STD-3013) to comply with the facility's safety basis. The stabilization conditions imposed by DOE-STD-3013 for PuO{sub 2} (i.e., 950 C for 2 hours) preclude use of the HBL PuO{sub 2} in direct fuel fabrication and reduce the value of the HBL product as MFFF feedstock. Consequently, HBL initiated a technical evaluation to define acceptable operating conditions for production of high-purity PuO{sub 2} that fulfills the DOE-STD-3013 criteria for safe storage. The purpose of this document is to demonstrate that within the defined operating conditions, the HBL process will be equivalent for meeting the requirements of the DOE-STD-3013 stabilization process for plutonium-bearing materials from the DOE complex. The proposed 3013 equivalency reduces the prescribed stabilization temperature for high-purity PuO{sub 2} from oxalate precipitation processes from 950 C to 640 C and places a limit of 60% on the relative humidity (RH) at the lowest material temperature. The equivalency is limited to material produced using the HBL established flow sheet, for example, nitric acid anion exchange and Pu(IV) direct strike oxalate precipitation with stabilization at a minimum temperature of 640 C for four hours (h). The product purity must meet the MFFF acceptance criteria of 23,600 {micro}g/g Pu (i.e., 2.1 wt %) total impurities and chloride content less than 250 {micro}g/g of Pu. All other stabilization and packaging criteria identified by DOE-STD-3013-2012 or earlier revisions of the standard apply. Based on the evaluation of test data discussed in this document, the expert judgment of the authors supports packaging the HBL product under a 3013

  11. The use of forensic DNA analysis in humanitarian forensic action: The development of a set of international standards.

    Science.gov (United States)

    Goodwin, William H

    2017-09-01

    DNA analysis was first applied to the identification of victims of armed conflicts and other situations of violence (ACOSV) in the mid-1990s, starting in South America and the Balkans. Argentina was the first country to establish a genetic database specifically developed to identify disappeared children. Following on from these programs the early 2000s marked major programs, using a largely DNA-led approach, identifying missing persons in the Balkans and following the attack on the World Trade Center in New York. These two identification programs significantly expanded the magnitude of events to which DNA analysis was used to help provide the identity of missing persons. Guidelines developed by Interpol (2014) [1] related to best practice for identification of human remains following DVI type scenarios have been widely disseminated around the forensic community; in numerous cases these guidelines have been adopted or incorporated into national guidelines/standards/practice. However, given the complexity of many humanitarian contexts in which forensic science is employed there is a lack of internationally accepted guidelines, related to these contexts, for authorities to reference. In response the Argentine government's Human Rights Division in the Ministry of Foreign Affairs and Worship (MREC) proposed that the United Nations (UN) should promote best practice in the use of forensic genetics in humanitarian forensic action: this was adopted by the UN in Resolutions A/HRC/RES/10/26 and A/HRC/RES/15/5. Following on from the adoption of the resolutions MREC has coordinated, with the support of the International Committee of the Red Cross (ICRC), the drafting of a set of guidelines (MREC, ICRC, 2014) [2], with input from national and international agencies. To date the guidelines have been presented to South America's MERCOSUR and the UN and have been disseminated to interested parties. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. 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. 

  13. Kinetic Analysis of the Multivalent Ligand Binding Interaction between Protein A/G and IgG: A Standard System Setting.

    Science.gov (United States)

    Reader, Peter P; Shaw, Andrew M

    2017-09-28

    Recombinant protein A/G (PAG) has a sequence coding for eight IgG binding sites and has enhanced interspecies affinity. High-frequency sampling of a PAG titration with IgG produces concentration profiles that are sensitive to the kinetic availability of the binding sites. The full kinetic model developed here for IgG binding sequentially to PAG shows only two distinct kinetic processes, describing an initial rapid association of two antibodies to PAG with a rate constant k-fast = (1.86 ± 0.08) × 10 6 M -1 s -1 and a slower antibody binding process to all remaining sites, k-slow = (1.24 ± 0.05) × 10 4 M -1 s -1 . At equilibrium (after 1 h), the maximum IgG occupancy of PAG is 2.8 ± 0.5, conflicting with the genetic evidence of eight binding sites and suggesting significant steric hindrance of the neighboring IgG binding sites. The phosphate-buffered saline (PBS) solution defines a standard system setting, and this may be compared with other settings. The mean association rate of PAG-IgG n in the standard setting is 282 ± 20% higher than when PAG is tethered to a surface. A systems biology approach requires that a model parameter set that defines a system in a standard setting should be transferable to another system. The transfer of parameters between settings may be performed using activity coefficients characterizing an effective concentration of species in a system, a i = γ i c i . The activity correction, γ, for the eight-site occupancy is γ = 0.35 ± 0.06, and mapping from the standard setting to the solution setting suggests γ PAG-IgG = 0.4 ± 0.03. The role of activity coefficients and transferability of kinetic parameters between system settings is discussed.

  14. Identifying a standard set of outcome parameters for the evaluation of orthogeriatric co-management for hip fractures.

    Science.gov (United States)

    Liem, I S; Kammerlander, C; Suhm, N; Blauth, M; Roth, T; Gosch, M; Hoang-Kim, A; Mendelson, D; Zuckerman, J; Leung, F; Burton, J; Moran, C; Parker, M; Giusti, A; Pioli, G; Goldhahn, J; Kates, S L

    2013-11-01

    Osteoporotic fractures are an increasing problem in the world due to the ageing of the population. Different models of orthogeriatric co-management are currently in use worldwide. These models differ for instance by the health-care professional who has the responsibility for care in the acute and early rehabilitation phases. There is no international consensus regarding the best model of care and which outcome parameters should be used to evaluate these models. The goal of this project was to identify which outcome parameters and assessment tools should be used to measure and compare outcome changes that can be made by the implementation of orthogeriatric co-management models and to develop recommendations about how and when these outcome parameters should be measured. It was not the purpose of this study to describe items that might have an impact on the outcome but cannot be influenced such as age, co-morbidities and cognitive impairment at admission. Based on a review of the literature on existing orthogeriatric co-management evaluation studies, 14 outcome parameters were evaluated and discussed in a 2-day meeting with panellists. These panellists were selected based on research and/or clinical expertise in hip fracture management and a common interest in measuring outcome in hip fracture care. We defined 12 objective and subjective outcome parameters and how they should be measured: mortality, length of stay, time to surgery, complications, re-admission rate, mobility, quality of life, pain, activities of daily living, medication use, place of residence and costs. We could not recommend an appropriate tool to measure patients' satisfaction and falls. We defined the time points at which these outcome parameters should be collected to be at admission and discharge, 30 days, 90 days and 1 year after admission. Twelve objective and patient-reported outcome parameters were selected to form a standard set for the measurement of influenceable outcome of patients

  15. How Do Examiners and Examinees Think About Role-Playing of Standardized Patients in an OSCE Setting?

    Science.gov (United States)

    Sadeghi, Majid; Taghva, Arsia; Mirsepassi, Gholamreza; Hassanzadeh, Mehdi

    2007-01-01

    Objective: The use of standardized patients in Objective Structured Clinical Examinations in the assessment of psychiatric residents has increased in recent years. The aim of this study is to investigate the experience of psychiatry residents and examiners with standardized patients in Iran. Method: Final-year residents in psychiatry participated…

  16. 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.

  17. 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

  18. 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.

  19. DESIRE FOR LEVELS. Background study for the policy document "Setting Environmental Quality Standards for Water and Soil"

    NARCIS (Netherlands)

    van de Meent D; Aldenberg T; Canton JH; van Gestel CAM; Slooff W

    1990-01-01

    The report provides scientific support for setting environmental quality objectives for water, sediment and soil. Quality criteria are not set in this report. Only options for decisions are given. The report is restricted to the derivation of the 'maximally acceptable risk' levels (MAR)

  20. NODC Standard Product: NOAA Marine environmental buoy database 1993 with Updates (19 disc set) (NCEI Accession 0095199)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This set of CD-ROMs holds marine meteorological, oceanographic, and wave spectra data collected by moored buoys and C-MAN (Coastal-Marine Automated Network) stations...

  1. Using the Many-Faceted Rasch Model to Evaluate Standard Setting Judgments: An Illustration with the Advanced Placement Environmental Science Exam

    Science.gov (United States)

    Kaliski, Pamela K.; Wind, Stefanie A.; Engelhard, George, Jr.; Morgan, Deanna L.; Plake, Barbara S.; Reshetar, Rosemary A.

    2013-01-01

    The many-faceted Rasch (MFR) model has been used to evaluate the quality of ratings on constructed response assessments; however, it can also be used to evaluate the quality of judgments from panel-based standard setting procedures. The current study illustrates the use of the MFR model for examining the quality of ratings obtained from a standard…

  2. The ACT/NAGB Standard Setting Process: How "Modified" Does It Have To Be before It Is No Longer a Modified-Angoff Process?

    Science.gov (United States)

    Reckase, Mark D.

    The kernel of the Angoff method of standard setting (W. Angoff, 1971) would seem to be the judgment of whether a minimally competent person could answer an item on a test correctly or not. So it would seem that any procedure that requires independent judgment of the correctness or incorrectness of a response to items for a minimally acceptable…

  3. Analysis of global variability in 15 established and 5 new European Standard Set (ESS) STRs using the CEPH human genome diversity panel

    DEFF Research Database (Denmark)

    Philips, C.; Fernandez-Formoso, L.; Garcia-Magarinos, M.

    2011-01-01

    five recently introduced European Standard Set (ESS) STRs: D1S1656, D2S441, D10S1248, D12S391 and D22S1045. From the genotypes obtained for the ESS STRs we identified rare, intermediate or off-ladder alleles that had not been previously reported for these loci. Examples of novel ESS STR alleles found...

  4. Quality Oncology Practice Initiative Certification Program: measuring implementation of chemotherapy administration safety standards in the outpatient oncology setting.

    Science.gov (United States)

    Gilmore, Terry R; Schulmeister, Lisa; Jacobson, Joseph O

    2013-03-01

    The Quality Oncology Practice Initiative (QOPI) Certification Program (QCP) evaluates individual outpatient oncology practice performance in areas that affect patient care and safety and builds on the American Society of Clinical Oncology (ASCO) QOPI by assessing the compliance of a practice with certification standards based on the ASCO/Oncology Nursing Society standards for safe chemotherapy administration. To become certified, a practice must attain a benchmark quality score on certification measures in QOPI and attest that it complies with 17 QCP standards. Structured on-site reviews, initially performed in randomly selected practices, became mandatory beginning in September 2011. Of 111 practices that have undergone on-site review, only two were fully concordant with all of the standards (median, 11; range, seven to 17). Most practices were subsequently able to modify practice to become QOPI certified. The QCP addresses the call from the Institute of Medicine to close the quality gap by aligning evidence-based guidelines and consensus-driven standards with requirements for oncology practices to develop and maintain structural safety components, such as policies and procedures that ensure practice performance. On-site practice evaluation is a high-impact component of the program.

  5. Developing a Korean standard brain atlas on the basis of statistical and probabilistic approach and visualization tool for functional image analysis

    International Nuclear Information System (INIS)

    Koo, B. B.; Lee, J. M.; Kim, J. S.; Kim, I. Y.; Kim, S. I.; Lee, J. S.; Lee, D. S.; Kwon, J. S.; Kim, J. J.

    2003-01-01

    The probabilistic anatomical maps are used to localize the functional neuro-images and morphological variability. The quantitative indicator is very important to inquire the anatomical position of an activated region because functional image data has the low-resolution nature and no inherent anatomical information. Although previously developed MNI probabilistic anatomical map was enough to localize the data, it was not suitable for the Korean brains because of the morphological difference between Occidental and Oriental. In this study, we develop a probabilistic anatomical map for Korean normal brain. Normal 75 brains of T1-weighted spoiled gradient echo magnetic resonance images were acquired on a 1.5-T GESIGNA scanner. Then, a standard brain is selected in the group through a clinician searches a brain of the average property in the Talairach coordinate system. With the standard brain, an anatomist delineates 89 regions of interest (ROI) parcellating cortical and subcortical areas. The parcellated ROIs of the standard are warped and overlapped into each brain by maximizing intensity similarity. And every brain is automatically labeled with the registered ROIs. Each of the same-labeled region is linearly normalize to the standard brain, and the occurrence of each region is counted. Finally, 89 probabilistic ROI volumes are generated. This paper presents a probabilistic anatomical map for localizing the functional and structural analysis of Korean normal brain. In the future, we'll develop the group specific probabilistic anatomical maps of OCD and schizophrenia disease

  6. ANL CP-5 decontamination and decommissioning project necessary and sufficient pilot. Report of the standards identification team on the selection of the necessary and sufficient standards set

    International Nuclear Information System (INIS)

    1996-05-01

    The CP-5 reactor was a heavy-water moderated and cooled, highly-enriched uranium-fueled thermal reactor designed for supplying neutrons for research. The reactor was operated almost continuously for 25 years until its final shutdown in 1979. It is situated on approximately three acres in the southwestern section of Argonne National Laboratory. In 1980, all nuclear fuel and the heavy water that could be drained from the process systems were shipped off-site, and the CP-5 facility was placed into lay-up pending funding for decommissioning. It was maintained in the lay-up condition with a minimum of maintenance until 1990, when the decontamination and decommissioning (D and D) project began. This D and D project provides for the disassembly and removal of all radioactive components, equipment, and structures that are associated with the CP-5 facility. The experimental area around the CP-5 reactor has been prepared for D and D, and the area outside the facility has been remediated. The reactor primary coolant and support systems have been removed and packaged as waste. The significant remaining tasks are (1) removal of the reactor internals and the biological shield structure; (2) decontamination of the rod storage area; (3) decontamination of the various radioactive material storage and handling facilities, including the fuel pool; and (4) decontamination and dismantlement of the building. This report describes the scope of the project, identification of standards for various aspects of the project, the lessons learned, and consideration for implementation

  7. Group versus modified individual standard-setting on multiple-choice questions with the Angoff method for fourth-year medical students in the internal medicine clerkship

    Directory of Open Access Journals (Sweden)

    Senthong V

    2013-09-01

    Full Text Available Vichai Senthong,1,* Jarin Chindaprasirt,1,* Kittisak Sawanyawisuth,1 Noppadol Aekphachaisawat,2 Suteeraporn Chaowattanapanit,1 Panita Limpawattana,1 Charoen Choonhakarn,1 Aumkhae Sookprasert1 1Department of Medicine, Faculty of Medicine, Khon Kaen University, Khon Kaen, Thailand; 2Central Library, Silpakorn University, Bangkok, Thailand *These authors contributed equally to this work Background: The Angoff method is one of the preferred methods for setting a passing level in an exam. Normally, group meetings are required, which may be a problem for busy medical educators. Here, we compared a modified Angoff individual method to the conventional group method. Methods: Six clinical instructors were divided into two groups matched by teaching experience: modified Angoff individual method (three persons and conventional group method (three persons. The passing scores were set by using the Angoff theory. The groups set the scores individually and then met to determine the passing score. In the modified Angoff individual method, passing scores were judged by each instructor and the final passing score was adjusted by the concordance method and reliability index. Results: There were 94 fourth-year medical students who took the test. The mean (standard deviation test score was 65.35 (8.38, with a median of 64 (range 46–82. The three individual instructors took 45, 60, and 60 minutes to finish the task, while the group spent 90 minutes in discussion. The final passing score in the modified Angoff individual method was 52.18 (56.75 minus 4.57 or 52 versus 51 from the standard group method. There was not much difference in numbers of failed students by either method (four versus three. Conclusion: The modified Angoff individual method may be a feasible way to set a standard passing score with less time consumed and more independent rather than group work by instructors. Keywords: Angoff, individual, passing score, standard-setting, multiple

  8. Update to Practice Standards for Electrocardiographic Monitoring in Hospital Settings: A Scientific Statement From the American Heart Association.

    Science.gov (United States)

    Sandau, Kristin E; Funk, Marjorie; Auerbach, Andrew; Barsness, Gregory W; Blum, Kay; Cvach, Maria; Lampert, Rachel; May, Jeanine L; McDaniel, George M; Perez, Marco V; Sendelbach, Sue; Sommargren, Claire E; Wang, Paul J

    2017-11-07

    This scientific statement provides an interprofessional, comprehensive review of evidence and recommendations for indications, duration, and implementation of continuous electro cardiographic monitoring of hospitalized patients. Since the original practice standards were published in 2004, new issues have emerged that need to be addressed: overuse of arrhythmia monitoring among a variety of patient populations, appropriate use of ischemia and QT-interval monitoring among select populations, alarm management, and documentation in electronic health records. Authors were commissioned by the American Heart Association and included experts from general cardiology, electrophysiology (adult and pediatric), and interventional cardiology, as well as a hospitalist and experts in alarm management. Strict adherence to the American Heart Association conflict of interest policy was maintained throughout the consensus process. Authors were assigned topics relevant to their areas of expertise, reviewed the literature with an emphasis on publications since the prior practice standards, and drafted recommendations on indications and duration for electrocardiographic monitoring in accordance with the American Heart Association Level of Evidence grading algorithm that was in place at the time of commissioning. The comprehensive document is grouped into 5 sections: (1) Overview of Arrhythmia, Ischemia, and QTc Monitoring; (2) Recommendations for Indication and Duration of Electrocardiographic Monitoring presented by patient population; (3) Organizational Aspects: Alarm Management, Education of Staff, and Documentation; (4) Implementation of Practice Standards; and (5) Call for Research. Many of the recommendations are based on limited data, so authors conclude with specific questions for further research. © 2017 American Heart Association, Inc.

  9. Teaching communication skills in clinical settings: comparing two applications of a comprehensive program with standardized and real patients

    Science.gov (United States)

    2014-01-01

    Background Communication is important for the quality of clinical practice, and programs have been implemented to improve healthcare providers’ communication skills. However, the consistency of programs teaching communication skills has received little attention, and debate exists about the application of acquired skills to real patients. This study inspects whether (1) results from a communication program are replicated with different samples, and (2) results with standardized patients apply to interviews with real patients. Methods A structured, nine-month communication program was applied in two consecutive years to two different samples of healthcare professionals (25 in the first year, 20 in the second year). Results were assessed at four different points in time, each year, regarding participants’ confidence levels (self-rated), basic communication skills in interviews with standardized patients, and basic communication skills in interviews with real patients. Data were analyzed using GLM Repeated-Measures procedures. Results Improvements were statistically significant in both years in all measures except in simulated patients’ assessment of the 2008 group. Differences between the two samples were non-significant. Differences between interviews with standardized and with real patients were also non-significant. Conclusions The program’s positive outcomes were replicated in different samples, and acquired skills were successfully applied to real-patient interviews. This reinforces this type of program structure as a valuable training tool, with results translating into real situations. It also adds to the reliability of the assessment instruments employed, though these may need adaptation in the case of real patients. PMID:24886341

  10. True communication skills assessment in interdepartmental OSCE stations: Standard setting using the MAAS-Global and EduG.

    Science.gov (United States)

    Setyonugroho, Winny; Kropmans, Thomas; Murphy, Ruth; Hayes, Peter; van Dalen, Jan; Kennedy, Kieran M

    2018-01-01

    Comparing outcome of clinical skills assessment is challenging. This study proposes reliable and valid comparison of communication skills (1) assessment as practiced in Objective Structured Clinical Examinations (2). The aim of the present study is to compare CS assessment, as standardized according to the MAAS Global, between stations in a single undergraduate medical year. An OSCE delivered in an Irish undergraduate curriculum was studied. We chose the MAAS-Global as an internationally recognized and validated instrument to calibrate the OSCE station items. The MAAS-Global proportion is the percentage of station checklist items that can be considered as 'true' CS. The reliability of the OSCE was calculated with G-Theory analysis and nested ANOVA was used to compare mean scores of all years. MAAS-Global scores in psychiatry stations were significantly higher than those in other disciplines (pMAAS-Global proportions when compared to the general practice stations. Comparison of outcome measurements, using the MAAS Global as a standardization instrument, between interdisciplinary station checklists was valid and reliable. The MAAS-Global was used as a single validated instrument and is suggested as gold standard. Copyright © 2017. Published by Elsevier B.V.

  11. Teaching communication skills in clinical settings: comparing two applications of a comprehensive program with standardized and real patients.

    Science.gov (United States)

    Carvalho, Irene P; Pais, Vanessa G; Silva, Filipa R; Martins, Raquel; Figueiredo-Braga, Margarida; Pedrosa, Raquel; Almeida, Susana S; Correia, Luís; Ribeiro-Silva, Raquel; Castro-Vale, Ivone; Teles, Ana; Mota-Cardoso, Rui

    2014-05-09

    Communication is important for the quality of clinical practice, and programs have been implemented to improve healthcare providers' communication skills. However, the consistency of programs teaching communication skills has received little attention, and debate exists about the application of acquired skills to real patients. This study inspects whether (1) results from a communication program are replicated with different samples, and (2) results with standardized patients apply to interviews with real patients. A structured, nine-month communication program was applied in two consecutive years to two different samples of healthcare professionals (25 in the first year, 20 in the second year). Results were assessed at four different points in time, each year, regarding participants' confidence levels (self-rated), basic communication skills in interviews with standardized patients, and basic communication skills in interviews with real patients. Data were analyzed using GLM Repeated-Measures procedures. Improvements were statistically significant in both years in all measures except in simulated patients' assessment of the 2008 group. Differences between the two samples were non-significant. Differences between interviews with standardized and with real patients were also non-significant. The program's positive outcomes were replicated in different samples, and acquired skills were successfully applied to real-patient interviews. This reinforces this type of program structure as a valuable training tool, with results translating into real situations. It also adds to the reliability of the assessment instruments employed, though these may need adaptation in the case of real patients.

  12. Design Load Basis for Offshore Wind turbines

    DEFF Research Database (Denmark)

    Natarajan, Anand; Hansen, Morten Hartvig; Wang, Shaofeng

    2016-01-01

    DTU Wind Energy is not designing and manufacturing wind turbines and does therefore not need a Design Load Basis (DLB) that is accepted by a certification body. However, to assess the load consequences of innovative features and devices added to existing offshore turbine concepts or new offshore...... turbine concept developed in our research, it is useful to have a full DLB that follows the current design standard and is representative of a general DLB used by the industry. It will set a standard for the offshore wind turbine design load evaluations performed at DTU Wind Energy, which is aligned...

  13. The 2018 Inter-agency field manual on reproductive health in humanitarian settings: revising the global standards.

    Science.gov (United States)

    Foster, Angel M; Evans, Dabney P; Garcia, Melissa; Knaster, Sarah; Krause, Sandra; McGinn, Therese; Rich, Sarah; Shah, Meera; Tappis, Hannah; Wheeler, Erin

    2017-11-01

    Since the 1990s, the Inter-agency field manual on reproductive health in humanitarian settings (IAFM) has provided authoritative guidance on reproductive health service provision during different phases of complex humanitarian emergencies. In 2018, the Inter-Agency Working Group on Reproductive Health in Crises will release a new edition of this global resource. In this article, we describe the collaborative and inter-sectoral revision process and highlight major changes in the 2018 IAFM. Key revisions to the manual include repositioning unintended pregnancy prevention within and explicitly incorporating safe abortion care into the Minimum Initial Service Package (MISP) chapter, which outlines a set of priority activities to be implemented at the outset of a humanitarian crisis; stronger guidance on the transition from the MISP to comprehensive sexual and reproductive health services; and the addition of a logistics chapter. In addition, the IAFM now places greater and more consistent emphasis on human rights principles and obligations, gender-based violence, and the linkages between maternal and newborn health, and incorporates a diverse range of field examples. We conclude this article with an outline of plans for releasing the 2018 IAFM and facilitating uptake by those working in refugee, crisis, conflict, and emergency settings.

  14. Effectiveness of GAEC cross-compliance Standard 4.2c for biodiversity conservation in set-asides, part II (ground-dwelling Arthropods and Vertebrates

    Directory of Open Access Journals (Sweden)

    Marta Biaggini

    2016-02-01

    Full Text Available The MO.NA.CO. project has been set up to evaluate the effectiveness of some GAECs (Good Agricultural and Environmental Conditions through the institution of a monitoring network throughout the Italian territory. The present work deals with the evaluation of the Standard 4.2c, concerning biomass and biodiversity in set-asides, in relation to fauna conservation. Monitoring was performed in three areas, using the following indicators: ground-dwelling Arthropods identified at the order level, Coleoptera identified at the family level and Lacertids. Our results seem to indicate that a mild management of set-asides, consisting in mowing once a year (mid July in the examined areas, may enhance faunal diversity, above all Arthropod diversity. After mowing, the set-asides managed following Standard 4.2, hosted higher levels of Arthropod diversity and a more balanced faunistic composition in comparison to unmoved set-asides and arable lands. On the contrary, we did not find significant effects of mowing on lizard abundance. We also discussed some measures to mitigate the negative direct effects of mechanical mowing on fauna. 

  15. Cost-effectiveness of omalizumab add-on to standard-of-care therapy in patients with uncontrolled severe allergic asthma in a Brazilian healthcare setting.

    Science.gov (United States)

    Suzuki, Cibele; Lopes da Silva, Nilceia; Kumar, Praveen; Pathak, Purnima; Ong, Siew Hwa

    2017-08-01

    Omalizumab add-on to standard-of-care therapy has proven to be efficacious in severe asthma patients for whom exacerbations cannot be controlled otherwise. Moreover, evidence from different healthcare settings suggests reduced healthcare resource utilization with omalizumab. Based on these findings, this study aimed to assess the cost-effectiveness of the addition of omalizumab to standard-of-care therapy in patients with uncontrolled severe allergic asthma in a Brazilian healthcare setting. A previously published Markov model was adapted using Brazil-specific unit costs to compare the costs and outcomes of the addition of omalizumab to standard-of-care therapy vs standard-of-care therapy alone. Model inputs were largely based on the eXpeRience study. Costs and health outcomes were calculated for lifetime-years and were annually discounted at 5%. Both one-way and probabilistic sensitivity analyses were performed. An additional cost of R$280,400 for 5.20 additional quality-adjusted life-years was estimated with the addition of omalizumab to standard-of-care therapy, resulting in an incremental cost-effectiveness ratio of R$53,890. One-way sensitivity analysis indicated that discount rates, standard-of-care therapy exacerbation rates, and exacerbation-related mortality rates had the largest impact on incremental cost-effectiveness ratios. Assumptions of lifetime treatment adherence and rate of future exacerbations, independent of previous events, might affect the findings. The lack of Brazilian patients in the eXpeRience study may affect the findings, although sample size and baseline characteristics suggest that the modeled population closely resembles Brazilian severe allergic asthma patients. Results indicate that omalizumab as an add-on therapy is more cost-effective than standard-of-care therapy alone for Brazilian patients with uncontrolled severe allergic asthma, based on the World Health Organization's cost-effectiveness threshold of up to 3-times the gross

  16. Information and communication technologies for operating of smart distribution grids based on the German standardization roadmap; Informations- und Kommunikationstechnologien zur Betriebsfuehrung smarter Verteilungsnetze auf Basis der Deutschen Normungsroadmap

    Energy Technology Data Exchange (ETDEWEB)

    Brunner, Christoph [IT4Power, Zug (Switzerland); Buchholz, Bernd Michael [NTB Technoservice, Pyrbaum (Germany); Hampel, Herman [iAD GmbH, Grosshabersdorf (Germany); Naumann, A. [Magdeburg Univ. (Germany)

    2012-07-01

    The current challenges of the distribution networks are caused by a growing volume of distributed energy in-feed and new types of load. They require the introduction of information and communication technologies (ICT) down to the low voltage level. Innovative monitoring and control tasks are developed in the framework of the European lighthouse project ''Web2Energy'' (W2E) and performed in the practice of the 20/0.4 kV network of the HSE AG in Darmstadt. The overview of the realized functions is given and the related information exchange between the control centre and the distributed plants is considered. The project applies the standards IEC 61850 for data communication and IEC 61968/70 for the data management (CIM - Common Information Model) in the control center (CC). The client - server architecture of the developed communication system is considered in detail. The project related W2E CC serves the aspects of smart distribution also in the context with market activities. Data acquisition and control of the 20/0.4 kV terminals and the various power plants are executed by a mini remote terminal unit. The W2E RTU offers a 100 MBd Ethernet interface providing the IEC 61850 protocol for the access to the communication system. The required application specific extensions of the standards are discussed and the first experiences for application in the practice are demonstrated. (orig.)

  17. Accounting for both local aquatic community composition and bioavailability in setting site-specific quality standards for zinc.

    Science.gov (United States)

    Peters, Adam; Simpson, Peter; Moccia, Alessandra

    2014-01-01

    Recent years have seen considerable improvement in water quality standards (QS) for metals by taking account of the effect of local water chemistry conditions on their bioavailability. We describe preliminary efforts to further refine water quality standards, by taking account of the composition of the local ecological community (the ultimate protection objective) in addition to bioavailability. Relevance of QS to the local ecological community is critical as it is important to minimise instances where quality classification using QS does not reconcile with a quality classification based on an assessment of the composition of the local ecology (e.g. using benthic macroinvertebrate quality assessment metrics such as River InVertebrate Prediction and Classification System (RIVPACS)), particularly where ecology is assessed to be at good or better status, whilst chemical quality is determined to be failing relevant standards. The alternative approach outlined here describes a method to derive a site-specific species sensitivity distribution (SSD) based on the ecological community which is expected to be present at the site in the absence of anthropogenic pressures (reference conditions). The method combines a conventional laboratory ecotoxicity dataset normalised for bioavailability with field measurements of the response of benthic macroinvertebrate abundance to chemical exposure. Site-specific QSref are then derived from the 5%ile of this SSD. Using this method, site QSref have been derived for zinc in an area impacted by historic mining activities. Application of QSref can result in greater agreement between chemical and ecological metrics of environmental quality compared with the use of either conventional (QScon) or bioavailability-based QS (QSbio). In addition to zinc, the approach is likely to be applicable to other metals and possibly other types of chemical stressors (e.g. pesticides). However, the methodology for deriving site-specific targets requires

  18. OSHA's approach to risk assessment for setting a revised occupational exposure standard for 1,3-butadiene.

    Science.gov (United States)

    Grossman, E A; Martonik, J

    1990-01-01

    In its 1980 benzene decision [Industrial Union Department, ALF-CIO v. American Petroleum Institute, 448 U.S. 607 (1980)], the Supreme Court ruled that "before he can promulgate any permanent health or safety standard, the Secretary [of Labor] is required to make a threshold finding that a place of employment is unsafe--in the sense that significant risks are present and can be lessened by a change in practices" (448 U.S. at 642). The Occupational Safety and Health Administration (OSHA) has interpreted this to mean that whenever possible, it must quantify the risk associated with occupational exposure to a toxic substance at the current permissible exposure limit (PEL). If OSHA determines that there is significant risk to workers' health at its current standard, then it must quantify the risk associated with a variety of alternative standards to determine at what level, if any, occupational exposure to a substance no longer poses a significant risk. For rulemaking on occupational exposure to 1,3-butadiene, there are two studies that are suitable for quantitative risk assessment. One is a mouse inhalation bioassay conducted by the National Toxicology Program (NTP), and the other is a rat inhalation bioassay conducted by Hazelton Laboratories Europe. Of the four risk assessments that have been submitted to OSHA, all four have used the mouse and/or rat data with a variety of models to quantify the risk associated with occupational exposure to 1,3-butadiene. In addition, OSHA has performed its own risk assessment using the female mouse and female rat data and the one-hit and multistage models.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2401254

  19. International Life Sciences Institute North America Listeria monocytogenes strain collection: development of standard Listeria monocytogenes strain sets for research and validation studies.

    Science.gov (United States)

    Fugett, Eric; Fortes, Esther; Nnoka, Catherine; Wiedmann, Martin

    2006-12-01

    Research and development efforts on bacterial foodborne pathogens, including the development of novel detection and subtyping methods, as well as validation studies for intervention strategies can greatly be enhanced through the availability and use of standardized strain collections. These types of strain collections are available for some foodborne pathogens, such as Salmonella and Escherichia coli. We have developed a standard Listeria monocytogenes strain collection that has not been previously available. The strain collection includes (i) a diversity set of 25 isolates chosen to represent a genetically diverse set of L. monocytogenes isolates as well as a single hemolytic Listeria innocua strain and (ii) an outbreak set, which includes 21 human and food isolates from nine major human listeriosis outbreaks that occurred between 1981 and 2002. The diversity set represents all three genetic L. monocytogenes lineages (I, n = 9; II, n = 9; and III, n = 6) as well as nine different serotypes. Molecular subtyping by EcoRI automated ribotyping and pulsed-field gel electrophoresis (PFGE) with AscI and ApaI separated the 25 isolates in the diversity set into 23 ribotypes and 25 PFGE types, confirming that this isolate set represents considerable genetic diversity. Molecular subtyping of isolates in the outbreak set confirmed that human and food isolates were identical by ribotype and PFGE, except for human and food isolates for two outbreaks, which displayed related but distinct PFGE patterns. Subtype and source data for all isolates in this strain collection are available on the Internet and are linked to the PathogenTracker database (www.pathogentracker.com), which allows the addition of new, relevant information on these isolates, including links to publications that have used isolates from this collection. We have thus developed a core L. monocytogenes strain collection, which will provide a resource for L. monocytogenes research and development efforts with

  20. Development of standard methods for activity measurement of natural radionuclides in waterworks as basis for dose and risk assessment—First results of an Austrian study

    International Nuclear Information System (INIS)

    Stietka, M.; Baumgartner, A.; Seidel, C.; Maringer, F.J.

    2013-01-01

    A comprehensive study with the aim to evaluate the risks due to radiation exposure for workers in water supply is conducted in 21 Austrian waterworks. The development of standard methods for the assessment of occupational exposure of water work staff is a part of this study. Preliminary results of this study show a wide range of Rn-222 activity concentration in waterworks with values from (28±10) Bq/m 3 to (38,000±4000) Bq/m 3 . Also seasonal variations of the Rn-222 activity concentration could be observed. - Highlights: • In this study operational exposure of water work staff was evaluated. • The Rn-222 concentration in indoor air in waterworks was measured for 1 year. • Results show a wide range of Rn-222 activity concentration in waterworks. • Seasonal variations of the Rn-222 activity concentration could be observed

  1. Calculations of standard-Higgs-boson production cross sections in e+e- collisions by means of a reasonable set of parameters

    International Nuclear Information System (INIS)

    Biyajima, M.; Shirane, K.; Terazawa, O.

    1987-01-01

    We calculate cross sections for production of the standard Higgs boson in e + e - collisions and compare our results with those of several authors. It is found that there are appreciable differences among them which can be attributed to the coupling constants used, α(0) ( = (1/137) and G/sub F/. We also observe that cross sections depend on the magnitudes of the total width of the Z particle. The use of a reasonable set of parameters in calculations is emphasized

  2. Comparing Geologic Data Sets Collected by Planetary Analog Traverses and by Standard Geologic Field Mapping: Desert Rats Data Analysis

    Science.gov (United States)

    Feng, Wanda; Evans, Cynthia; Gruener, John; Eppler, Dean

    2014-01-01

    Geologic mapping involves interpreting relationships between identifiable units and landforms to understand the formative history of a region. Traditional field techniques are used to accomplish this on Earth. Mapping proves more challenging for other planets, which are studied primarily by orbital remote sensing and, less frequently, by robotic and human surface exploration. Systematic comparative assessments of geologic maps created by traditional mapping versus photogeology together with data from planned traverses are limited. The objective of this project is to produce a geologic map from data collected on the Desert Research and Technology Studies (RATS) 2010 analog mission using Apollo-style traverses in conjunction with remote sensing data. This map is compared with a geologic map produced using standard field techniques.

  3. Utilising magnetic resonance imaging as the gold-standard in management of suspected scaphoid fractures in the emergency department setting

    LENUS (Irish Health Repository)

    Ramasubbu, B

    2017-02-01

    Scaphoid fractures are the most common carpal bone fracture. Up to 40% of scaphoid fractures can be missed at initial presentation and investigation. Follow-up plain film radiograph has overall poor sensitivity and reliability. MRI has been shown to have an almost 100% sensitivity and specificity and so is the gold standard in scaphoid fracture diagnosis. Additionally, early specialist involvement is recommended. We proposed that following a designated pathway, there would be no significant increase in MRI requests. Following implementation of a pathway for the management of suspected scaphoid fractures in St James’s Hospital in 2012 re-auditing demonstrated that management changed to either MRI directly after initial x-ray (16\\/145, 11%), MRI after second x-ray (9\\/28, 32%) or orthopaedic follow-up (19\\/28, 68%). The number of MRIs requested was consistent with our predictors of demand. Thus, our new protocol maximises diagnostics, cost effectiveness and quality of patient care.

  4. 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

  5. Standardized Outcomes in Nephrology-Peritoneal Dialysis (SONG-PD): Study Protocol for Establishing a Core Outcome Set in PD.

    Science.gov (United States)

    Manera, Karine E; Tong, Allison; Craig, Jonathan C; Brown, Edwina A; Brunier, Gillian; Dong, Jie; Dunning, Tony; Mehrotra, Rajnish; Naicker, Sarala; Pecoits-Filho, Roberto; Perl, Jeffrey; Wang, Angela Y; Wilkie, Martin; Howell, Martin; Sautenet, Benedicte; Evangelidis, Nicole; Shen, Jenny I; Johnson, David W

    2017-01-01

    Worldwide, approximately 11% of patients on dialysis receive peritoneal dialysis (PD). Whilst PD may offer more autonomy to patients compared with hemodialysis, patient and caregiver burnout, technique failure, and peritonitis remain major challenges to the success of PD. Improvements in care and outcomes are likely to be mediated by randomized trials of innovative therapies, but will be limited if the outcomes measured and reported are not important for patients and clinicians. The aim of the Standardised Outcomes in Nephrology-Peritoneal Dialysis (SONG-PD) study is to establish a set of core outcomes for trials in patients on PD based on the shared priorities of all stakeholders, so that outcomes of most relevance for decision-making can be evaluated, and that interventions can be compared reliably. The 5 phases in the SONG-PD project are: a systematic review to identify outcomes and outcome measures that have been reported in randomized trials involving patients on PD; focus groups using nominal group technique with patients and caregivers to identify, rank, and describe reasons for their choice of outcomes; semi-structured key informant interviews with health professionals; a 3-round international Delphi survey involving a multi-stakeholder panel; and a consensus workshop to review and endorse the proposed set of core outcome domains for PD trials. The establishment of 3 to 5 high-priority core outcomes, to be measured and reported consistently in all trials in PD, will enable patients and clinicians to make informed decisions about the relative effectiveness of interventions, based upon outcomes of common importance. Copyright © 2017 International Society for Peritoneal Dialysis.

  6. [Study on standardization of cupping technique: elucidation on the establishment of the National Standard Standardized Manipulation of Acupuncture and Moxibustion, Part V, Cupping].

    Science.gov (United States)

    Gao, Shu-zhong; Liu, Bing

    2010-02-01

    From the aspects of basis, technique descriptions, core contents, problems and solutions, and standard thinking in standard setting process, this paper states experiences in the establishment of the national standard Standardized Manipulation of Acupuncture and Moxibustion, Part V, Cupping, focusing on methodologies used in cupping standard setting process, the method selection and operating instructions of cupping standardization, and the characteristics of standard TCM. In addition, this paper states the scope of application, and precautions for this cupping standardization. This paper also explaines tentative ideas on the research of standardized manipulation of acupuncture and moxibustion.

  7. Applying standard epidemiological methods for investigating foodborne disease outbreak in resource-poor settings: lessons from Vietnam.

    Science.gov (United States)

    Vo, Thuan Huu; Nguyen, Dat Van; Le, Loan Thi Kim; Phan, Lan Trong; Nuorti, J Pekka; Tran Minh, Nguyen Nhu

    2014-07-01

    An outbreak of gastroenteritis occurred among workers of company X after eating lunch prepared by a catering service. Of 430 workers attending the meal, 56 were hospitalized with abdominal pain, diarrhea, vomiting, and nausea, according to the initial report. We conducted an investigation to identify the extent, vehicle, and source of the outbreak. In our case-control study, a case was a worker who attended the meal and who was hospitalized with acute gastroenteritis; controls were randomly selected from non-ill workers. Cases and controls were interviewed using a standard questionnaire. We used logistic regression to calculate adjusted odds ratios for the consumption of food items. Catering service facilities and food handlers working for the service were inspected. Food samples from the catering service were tested at reference laboratories. Of hospitalized cases, 54 fulfilled the case definition, but no stool specimens were collected for laboratory testing. Of four food items served during lunch, only "squash and pork soup" was significantly associated with gastroenteritis, with an adjusted odds ratio of 9.5 (95 % CI 3.2, 27.7). The caterer did not separate cooked from raw foods but used the same counter for both. Cooked foods were kept at room temperature for about 4 h before serving. Four of 14 food handlers were not trained on basic food safety principles and did not have health certificates. Although no microbiological confirmation was obtained, our epidemiological investigation suggested that squash and pork soup caused the outbreak. Hospitals should be instructed to obtain stool specimens from patients with gastroenteritis. Food catering services should be educated in basic food safety measures.

  8. Implementing the Science Assessment Standards: Developing and validating a set of laboratory assessment tasks in high school biology

    Science.gov (United States)

    Saha, Gouranga Chandra

    Very often a number of factors, especially time, space and money, deter many science educators from using inquiry-based, hands-on, laboratory practical tasks as alternative assessment instruments in science. A shortage of valid inquiry-based laboratory tasks for high school biology has been cited. Driven by this need, this study addressed the following three research questions: (1) How can laboratory-based performance tasks be designed and developed that are doable by students for whom they are designed/written? (2) Do student responses to the laboratory-based performance tasks validly represent at least some of the intended process skills that new biology learning goals want students to acquire? (3) Are the laboratory-based performance tasks psychometrically consistent as individual tasks and as a set? To answer these questions, three tasks were used from the six biology tasks initially designed and developed by an iterative process of trial testing. Analyses of data from 224 students showed that performance-based laboratory tasks that are doable by all students require careful and iterative process of development. Although the students demonstrated more skill in performing than planning and reasoning, their performances at the item level were very poor for some items. Possible reasons for the poor performances have been discussed and suggestions on how to remediate the deficiencies have been made. Empirical evidences for validity and reliability of the instrument have been presented both from the classical and the modern validity criteria point of view. Limitations of the study have been identified. Finally implications of the study and directions for further research have been discussed.

  9. SU-E-T-72: Commissioning of a Standardized SRS Cone Set: Determination of the Bolus Gap Factors in a Passively Scattered Proton Beam

    International Nuclear Information System (INIS)

    Simpson, R; Gordon, I; Ghebremedhin, A; Wroe, A; Schulte, R; Bush, D; Slater, J; Patyal, B

    2014-01-01

    Purpose: To determine the proton output factors for an SRS cone set using standardized apertures and varied range compensators (bolus blanks); specifically, to determine the best method for modeling the bolus gap factor (BGF) and eliminate the need for patient specific calibrations. Methods: A Standard Imaging A-16 chamber was placed in a Plastic Water phantom to measure the change in dose/MU with different treatment combinations for a proton SRS cone, using standardized apertures and range compensators. Measurements were made with all apertures in the SRS cone set, with four different range compensator thicknesses and five different air gaps between the end of the SRS cone and the surface of the phantom. The chamber was located at iso-center and maintained at a constant depth at the center of modulation for all measurements. Each aperture was placed in the cone to measure the change in MU needed to maintain constant dose at the chamber, as the air gap was increased with different thicknesses of bolus. Results: The dose/MU varied significantly with decreasing aperture size, increasing bolus thickness, or increasing air gap. The measured data was fitted with the lowest order polynomials that accurately described the data, to create a model for determining the change in output for any potential combination of devices used to treat a patient. For a given standardized aperture, the BGF could be described by its constituent factors: the bolus thickness factor (BTF) and the nozzle extension factor (NEF). Conclusion: The methods used to model the dose at the calibration point could be used to accurately predict the change in output for SRS proton beams due to the BGF, eliminating the need for patient specific calibrations. This method for modeling SRS treatments could also be applied to model other treatments using passively scattered proton beams

  10. Setting up processes and standardization of the equipment in order to optimize analyses of the wavelength dispersion X-ray fluorescence (WDXRF) system

    International Nuclear Information System (INIS)

    Phan Trong Phuc; Luu Anh Tuyen; La Ly Nguyen; Nguyen Thi Ngoc Hue; Pham Thi Hue; Do Duy Khiem

    2015-01-01

    For the purpose of operating and optimizing the analyses of the equipment: wavelength dispersion X-ray fluorescence (WDXRF)- model S8 TIGER from Enhancing Equipment Project (TCTTB) 2011-2012, we set up sampling and analytical process for different sample kinds; we constructed multi-elemental calibration curve for clay sample; we analysed elemental concentrations of 5 clay samples by XRF method and compared the results with the results given by NAA method. Equipment sensitivity was tested by analysing elemental concentrations of 2 Kaolin standard samples. The results show that S8-Tiger equipment is within good condition and is able to analyze powder clay sample exactly. (author)

  11. The Bank of Standardized Stimuli (BOSS, a new set of 480 normative photos of objects to be used as visual stimuli in cognitive research.

    Directory of Open Access Journals (Sweden)

    Mathieu B Brodeur

    Full Text Available There are currently stimuli with published norms available to study several psychological aspects of language and visual cognitions. Norms represent valuable information that can be used as experimental variables or systematically controlled to limit their potential influence on another experimental manipulation. The present work proposes 480 photo stimuli that have been normalized for name, category, familiarity, visual complexity, object agreement, viewpoint agreement, and manipulability. Stimuli are also available in grayscale, blurred, scrambled, and line-drawn version. This set of objects, the Bank Of Standardized Stimuli (BOSS, was created specifically to meet the needs of scientists in cognition, vision and psycholinguistics who work with photo stimuli.

  12. Double bag or Y-set versus standard transfer systems for continuous ambulatory peritoneal dialysis in end-stage kidney disease.

    Science.gov (United States)

    Daly, Conal; Cody, June D; Khan, Izhar; Rabindranath, Kannaiyan S; Vale, Luke; Wallace, Sheila A

    2014-08-13

    Peritonitis is the most frequent serious complication of continuous ambulatory peritoneal dialysis (CAPD). It has a major influence on the number of patients switching from CAPD to haemodialysis and has probably restricted the wider acceptance and uptake of CAPD as an alternative mode of dialysis.This is an update of a review first published in 2000. This systematic review sought to determine if modifications of the transfer set (Y-set or double bag systems) used in CAPD exchanges are associated with a reduction in peritonitis and an improvement in other relevant outcomes. We searched the Cochrane Renal Group's Specialised Register through contact with the Trials Search Co-ordinator. Studies contained in the Specialised Register are identified through search strategies specifically designed for CENTRAL, MEDLINE and EMBASE. Date of last search: 22 October 2013. Randomised controlled trials (RCTs) or quasi-RCTs comparing double bag, Y-set and standard peritoneal dialysis (PD) exchange systems in patients with end-stage kidney disease. Data were abstracted by a single investigator onto a standard form and analysed by Review Manager. Analysis was by a random effects model and results were expressed as risk ratio (RR) or mean difference (MD) with 95% confidence intervals (CI). Twelve eligible trials with a total of 991 randomised patients were identified. Despite the large total number of patients, few trials covered the same interventions, small numbers of patients were enrolled in each trial and the methodological quality was suboptimal. Y-set and twin-bag systems were superior to conventional spike systems (7 trials, 485 patients, RR 0.64, 95% CI 0.53 to 0.77) in preventing peritonitis in PD. Disconnect systems should be the preferred exchange systems in CAPD.

  13. Application of best practice for setting minimum energy efficiency standards in technically disadvantaged countries: Case study of Air Conditioners in Brunei Darussalam

    International Nuclear Information System (INIS)

    Shi, Xunpeng

    2015-01-01

    Highlights: • Setting MEPS requires significant data, financial resources and technical capacity. • Application of best practice in technical disadvantaged countries (TDCs) was demonstrated. • Best practice was successfully applied to Brunei for its AC MEPS. • For Brunei, COP at 2.9 is recommended and 15% efficiency improvement is achievable. • The methodology is applicable to other appliances in any TDCs. - Abstract: Application of the best practice of setting minimum energy performance standards (MEPS) in technically disadvantaged countries (TDCs) faces many barriers. The best practice of determining MEPS has a comprehensive analytical framework including engineering-economic analysis, life-cycle cost-benefit analysis, as well stakeholders’ and market impact assessments. However, TDCs usually are lack of reference product classes, market data, and other necessary inputs data. This study demonstrated how to overcome those barriers to apply the best practice to TDCs using the actual experience in setting initial MEPS for Air Conditioners (ACs) in Brunei from scratch with limited secondary data as an example. The series of application works include definition of the product classes and the baseline group; collection of market data; formulation of cost-efficiency relationship from the market data; examination of the economic, environmental, and financial impacts of various MEPS options; revealing of the consumers’ willingness to pay; and analysis of the impacts and responses from the industry and consumers. The coordination with the compliance of the Montreal Protocol was also considered. The methodology should also be applicable to setting MEPF for other appliances in any TDCs.

  14. Standards of Multimedia Graphic Design in Education

    Science.gov (United States)

    Aldalalah, Osamah Ahmad; Ababneh, Ziad Waleed Mohamed

    2015-01-01

    This study aims to determine Standards of Multimedia Graphic Design in Education through the analysis of the theoretical basis and previous studies related to this subject. This study has identified the list of standards of Multimedia, Graphic Design, each of which has a set indicator through which the quality of Multimedia can be evaluated in…

  15. Evaluation of the quality of results obtained in institutions participating in interlaboratory experiments and of the reliability characteristics of the analytical methods used on the basis of certification of standard soil samples

    Energy Technology Data Exchange (ETDEWEB)

    Parshin, A.K.; Obol' yaninova, V.G.; Sul' dina, N.P.

    1986-08-20

    Rapid monitoring of the level of pollution of the environment and, especially, of soils necessitates preparation of standard samples (SS) close in properties and material composition to the objects to be analyzed. During 1978-1982 four sets (three types of samples in each) of State Standard Samples of different soils were developed: soddy-podzolic sandy-loamy, typical chernozem, krasnozem, and calcareous sierozem. The certification studies of the SS of the soils were carried out in accordance with the classical scheme of interlab experiment (ILE). More than 100 institutions were involved in the ILE and the total number of independent analytical results was of the order of 10/sup 4/. With such a volume of analytical information at their disposal they were able to find some general characteristics intrinsic to certification studies, to assess the quality of work of the ILE participants with due regard for their specialization, and the reliability characteristics of the analytical methods used.

  16. Feasibility of using training cases from International Spinal Cord Injury Core Data Set for testing of International Standards for Neurological Classification of Spinal Cord Injury items

    DEFF Research Database (Denmark)

    Liu, N; Hu, Z W; Zhou, M W

    2014-01-01

    STUDY DESIGN: Descriptive comparison analysis. OBJECTIVE: To evaluate whether five training cases of International Spinal Cord Injury Core Data Set (ISCICDS) are appropriate for testing the facts within the International Standards for Neurological Classification of Spinal Cord Injury (ISNCSCI......) and could thus be used for testing its training effectiveness. METHODS: The authors reviewed the five training cases from the ISCICDS and determined the sensory level (SL), motor level (ML) and American Spinal Injury Association Impairment Scale (AIS) for the training cases. The key points from the training...... cases were compared with our interpretation of the key aspects of the ISNCSCI. RESULTS: For determining SL, three principles of ML, sacral sparing, complete injury, classification of AIS A, B, C and D, determining motor incomplete status through sparing of motor function more than three levels below...

  17. Validation for 2D/3D registration. II: The comparison of intensity- and gradient-based merit functions using a new gold standard data set.

    Science.gov (United States)

    Gendrin, Christelle; Markelj, Primoz; Pawiro, Supriyanto Ardjo; Spoerk, Jakob; Bloch, Christoph; Weber, Christoph; Figl, Michael; Bergmann, Helmar; Birkfellner, Wolfgang; Likar, Bostjan; Pernus, Franjo

    2011-03-01

    A new gold standard data set for validation of 2D/3D registration based on a porcine cadaver head with attached fiducial markers was presented in the first part of this article. The advantage of this new phantom is the large amount of soft tissue, which simulates realistic conditions for registration. This article tests the performance of intensity- and gradient-based algorithms for 2D/3D registration using the new phantom data set. Intensity-based methods with four merit functions, namely, cross correlation, rank correlation, correlation ratio, and mutual information (MI), and two gradient-based algorithms, the backprojection gradient-based (BGB) registration method and the reconstruction gradient-based (RGB) registration method, were compared. Four volumes consisting of CBCT with two fields of view, 64 slice multidetector CT, and magnetic resonance-T1 weighted images were registered to a pair of kV x-ray images and a pair of MV images. A standardized evaluation methodology was employed. Targets were evenly spread over the volumes and 250 starting positions of the 3D volumes with initial displacements of up to 25 mm from the gold standard position were calculated. After the registration, the displacement from the gold standard was retrieved and the root mean square (RMS), mean, and standard deviation mean target registration errors (mTREs) over 250 registrations were derived. Additionally, the following merit properties were computed: Accuracy, capture range, number of minima, risk of nonconvergence, and distinctiveness of optimum for better comparison of the robustness of each merit. Among the merit functions used for the intensity-based method, MI reached the best accuracy with an RMS mTRE down to 1.30 mm. Furthermore, it was the only merit function that could accurately register the CT to the kV x rays with the presence of tissue deformation. As for the gradient-based methods, BGB and RGB methods achieved subvoxel accuracy (RMS mTRE down to 0.56 and 0.70 mm

  18. Feasibility of establishing a biosafety level 3 tuberculosis culture laboratory of acceptable quality standards in a resource-limited setting: an experience from Uganda.

    Science.gov (United States)

    Ssengooba, Willy; Gelderbloem, Sebastian J; Mboowa, Gerald; Wajja, Anne; Namaganda, Carolyn; Musoke, Philippa; Mayanja-Kizza, Harriet; Joloba, Moses Lutaakome

    2015-01-15

    Despite the recent innovations in tuberculosis (TB) and multi-drug resistant TB (MDR-TB) diagnosis, culture remains vital for difficult-to-diagnose patients, baseline and end-point determination for novel vaccines and drug trials. Herein, we share our experience of establishing a BSL-3 culture facility in Uganda as well as 3-years performance indicators and post-TB vaccine trials (pioneer) and funding experience of sustaining such a facility. Between September 2008 and April 2009, the laboratory was set-up with financial support from external partners. After an initial procedure validation phase in parallel with the National TB Reference Laboratory (NTRL) and legal approvals, the laboratory registered for external quality assessment (EQA) from the NTRL, WHO, National Health Laboratories Services (NHLS), and the College of American Pathologists (CAP). The laboratory also instituted a functional quality management system (QMS). Pioneer funding ended in 2012 and the laboratory remained in self-sustainability mode. The laboratory achieved internationally acceptable standards in both structural and biosafety requirements. Of the 14 patient samples analyzed in the procedural validation phase, agreement for all tests with NTRL was 90% (P 80% in all years from NTRL, CAP, and NHLS, and culture was 100% for CAP panels and above regional average scores for all years with NHLS. Quarterly DST scores from WHO-EQA ranged from 78% to 100% in 2010, 80% to 100% in 2011, and 90 to 100% in 2012. From our experience, it is feasible to set-up a BSL-3 TB culture laboratory with acceptable quality performance standards in resource-limited countries. With the demonstrated quality of work, the laboratory attracted more research groups and post-pioneer funding, which helped to ensure sustainability. The high skilled experts in this research laboratory also continue to provide an excellent resource for the needed national discussion of the laboratory and quality management systems.

  19. Improving Standards of Care in Obstructed Labour: A Criteria-Based Audit at a Referral Hospital in a Low-Resource Setting in Tanzania

    Science.gov (United States)

    2016-01-01

    Objective In low-resource settings, obstructed labour is strongly associated with severe maternal morbidity and intrapartum asphyxia, and consequently maternal and perinatal deaths. This study evaluated the impact of a criteria-based audit of the diagnosis and management of obstructed labour in a low-resource setting. Methods A baseline criteria-based audit was conducted from October 2013 to March 2014, followed by a workshop in which stakeholders gave feedback on interventions agreed upon to improve obstetric care. The implemented interventions included but were not limited to introducing standard guidelines for diagnosis and management of obstructed labour, agreeing on mandatory review by specialist for cases that are assigned caesarean section, re-training and supervision on use and interpretation of partograph and, strengthening team work between doctors, mid-wives and theatre staff. After implementing these interventions in March, a re-audit was performed from July 2015 to November, 2015, and the results were compared to those of the baseline audit. Results Two hundred and sixty deliveries in the baseline survey and 250 deliveries in the follow-up survey were audited. Implementing the new criteria improved the diagnosis from 74% to 81% (p = 0.049) and also the management of obstructed labour from 4.2% at baseline audit to 9.2% at re-audit (p = 0.025). Improved detection of prolonged labour through heightened observation of regular contractions, protracted cervical dilatation, protracted descent of presenting part, arrested cervical dilation, and severe moulding contributed to improved standards of diagnosis (all p labour using available resources. Some of the observed changes in practice were of modest magnitude implying demand for further improvements, while sustaining those already put in place. PMID:27893765

  20. Development and Maintenance of Standardized Cross Setting Patient Assessment Data for Post-Acute Care: Summary Report of Findings from Alpha 1 Pilot Testing.

    Science.gov (United States)

    Maria Orlando, Edelen; Barbara J, Gage; Adam J, Rose; Sangeeta, Ahluwalia; Amy Soo Jin, DeSantis; Michael Stephen, Dunbar; Shira H, Fischer; Wenjing, Huang; David J, Klein; Steven, Martino; Francesca, Pillemer; Tepring, Piquado; Victoria, Shier; Regina A, Shih; Cathy D, Sherbourne; Brian D, Stucky

    2018-01-01

    The Centers for Medicare & Medicaid Services (CMS) contracted with the RAND Corporation to identify and/or develop standardized items to include in the post-acute care patient assessment instruments. RAND was tasked by CMS with developing and testing items to measure seven areas of health status for Medicare beneficiaries: (1) vision and hearing; (2) cognitive status; (3) depressed mood; (4) pain; (5) care preferences; (6) medication reconciliation; and (7) bladder and bowel continence. This article presents results of the first Alpha 1 feasibility test of a proposed set of items for measuring each of these health status areas. Conducted between August and October 2016, the test is one of two Alpha tests that will be completed by mid-2017 to assess the feasibility of proposed items. The results of these small-scale feasibility tests will inform a national Beta test designed to determine how well the measures perform when implemented in post-acute care settings. The Alpha 1 testing phase was successfully completed, in that all items were pilot tested among 133 patients. Items from all content areas were assessed on interrater reliability and feasibility; items from some content areas were assessed on other metrics. Items have now been revised, when necessary, based on the findings of the Alpha 1 test. Alpha 2 testing is under way with the updated, revised items.

  1. Promoting cross-culture research on moral decision-making with standardized, culturally-equivalent dilemmas: The 4CONFiDe set

    Directory of Open Access Journals (Sweden)

    Cinzia Cecchetto

    2017-07-01

    Full Text Available Introduction: Moral dilemmas are a common tool in moral decision-making research. However, they are often hardly comparable across languages and cultures. Here, we propose a methodology to adapt, convert and test moral dilemmas in languages different from English, by outlining the process followed for the creation of the comprehensive 4CONFiDe set. Methods: To evaluate cultural effects, English and Italian versions of the 4CONFiDe were evaluated by English-native speakers profi cient in Italian, and Italian-native speakers proficient in English (Study 1. To assess the contribution of the four conceptual factors used by Christensen et al. to the levels of arousal, valence and familiarity experienced with each dilemma, an independent group of Italian native speakers (n = 112 completed the 4CONFiDe set (Study 2. Results: Both linear mixed models and Bayesian statistics confi rmed that moral choices were made irrespective of participants’ native language and dilemmas’ version, suggesting that the translation was culturally-representative. Moreover, they showed that the proposed dilemmas were perceived by participants with diff erent degrees of arousal, pleasantness and familiarity based on some of the conceptual factors and that three of the four conceptual factors (Personal force, Intentionality and Evitability determined participants’ moral choices. Conclusions:Standardized, culturally-equivalent moral dilemmas provide researchers with a tool that allows further developments of the field.

  2. Towards the standardization of stem cell therapy studies for ischemic heart diseases: Bridging the gap between animal models and the clinical setting.

    Science.gov (United States)

    Trindade, Fábio; Leite-Moreira, Adelino; Ferreira-Martins, João; Ferreira, Rita; Falcão-Pires, Inês; Vitorino, Rui

    2017-02-01

    Today there is an increasing demand for heart transplantations for patients diagnosed with heart failure. Though, shortage of donors as well as the large number of ineligible patients hurdle such treatment option. This, in addition to the considerable number of transplant rejections, has driven the clinical research towards the field of regenerative medicine. Nonetheless, to date, several stem cell therapies tested in animal models fall by the wayside and when they meet the criteria to clinical trials, subjects often exhibit modest improvements. A main issue slowing down the admission of such therapies in the domain of human trials is the lack of protocol standardization between research groups, which hampers comparison between different approaches as well as the lack of thought regarding the clinical translation. In this sense, given the large amount of reports on stem cell therapy studies in animal models reported in the last 3years, we sought to evaluate their advantages and limitations towards the clinical setting and provide some suggestions for the forthcoming investigations. We expect, with this review, to start a new paradigm on regenerative medicine, by evoking the debate on how to plan novel stem cell therapy studies with animal models in order to achieve more consistent scientific production and accelerate the admission of stem cell therapies in the clinical setting. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  3. Evaluation of the international standardized 24-h dietary recall methodology (GloboDiet) for potential application in research and surveillance within African settings.

    Science.gov (United States)

    Aglago, Elom Kouassivi; Landais, Edwige; Nicolas, Geneviève; Margetts, Barrie; Leclercq, Catherine; Allemand, Pauline; Aderibigbe, Olaide; Agueh, Victoire Damienne; Amuna, Paul; Annor, George Amponsah; El Ati, Jalila; Coates, Jennifer; Colaiezzi, Brooke; Compaore, Ella; Delisle, Hélène; Faber, Mieke; Fungo, Robert; Gouado, Inocent; El Hamdouchi, Asmaa; Hounkpatin, Waliou Amoussa; Konan, Amoin Georgette; Labzizi, Saloua; Ledo, James; Mahachi, Carol; Maruapula, Segametsi Ditshebo; Mathe, Nonsikelelo; Mbabazi, Muniirah; Mirembe, Mandy Wilja; Mizéhoun-Adissoda, Carmelle; Nzi, Clement Diby; Pisa, Pedro Terrence; El Rhazi, Karima; Zotor, Francis; Slimani, Nadia

    2017-06-19

    Collection of reliable and comparable individual food consumption data is of primary importance to better understand, control and monitor malnutrition and its related comorbidities in low- and middle-income countries (LMICs), including in Africa. The lack of standardised dietary tools and their related research support infrastructure remains a major obstacle to implement concerted and region-specific research and action plans worldwide. Citing the magnitude and importance of this challenge, the International Agency for Research on Cancer (IARC/WHO) launched the "Global Nutrition Surveillance initiative" to pilot test the use of a standardized 24-h dietary recall research tool (GloboDiet), validated in Europe, in other regions. In this regard, the development of the GloboDiet-Africa can be optimised by better understanding of the local specific methodological needs, barriers and opportunities. The study aimed to evaluate the standardized 24-h dietary recall research tool (GloboDiet) as a possible common methodology for research and surveillance across Africa. A consultative panel of African and international experts in dietary assessment participated in six e-workshop sessions. They completed an in-depth e-questionnaire to evaluate the GloboDiet dietary methodology before and after participating in the e-workshop. The 29 experts expressed their satisfaction on the potential of the software to address local specific needs when evaluating the main structure of the software, the stepwise approach for data collection and standardisation concept. Nevertheless, additional information to better describe local foods and recipes, as well as particular culinary patterns (e.g. mortar pounding), were proposed. Furthermore, food quantification in shared-plates and -bowls eating situations and interviewing of populations with low literacy skills, especially in rural settings, were acknowledged as requiring further specific considerations and appropriate solutions. An overall

  4. Changes in Default Alarm Settings and Standard In-Service are Insufficient to Improve Alarm Fatigue in an Intensive Care Unit: A Pilot Project.

    Science.gov (United States)

    Sowan, Azizeh Khaled; Gomez, Tiffany Michelle; Tarriela, Albert Fajardo; Reed, Charles Calhoun; Paper, Bruce Michael

    2016-01-11

    alarm parameters and frequency of replacing patients' electrodes. Despite the in-service, 50% (12/24) of the nurses specified their need for more training on cardiac monitors in the postproject period. Changing default alarm settings and standard in-service education on cardiac monitor use are insufficient to improve alarm systems safety. Alarm management in ICUs is very complex, involving alarm management practices by clinicians, availability of unit policies and procedures, unit layout, complexity and usability of monitoring devices, and adequacy of training on system use. The complexity of the newer monitoring systems requires urgent usability testing and multidimensional interventions to improve alarm systems safety and to attain the Joint Commission National Patient Safety Goal on alarm systems safety in critical care units.

  5. 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

  6. 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

  7. Creating meaningful cut-scores for Neuro-QOL measures of fatigue, physical functioning, and sleep disturbance using standard setting with patients and providers.

    Science.gov (United States)

    Cook, Karon F; Victorson, David E; Cella, David; Schalet, Benjamin D; Miller, Deborah

    2015-03-01

    To establish clinically relevant classifications of health outcome scores for four Neuro-QOL measures (lower extremity function, upper extremity function, fatigue, and sleep disturbance). We employed a modified educational standard-setting methodology to identify cut-scores for symptom severity. Clinical vignettes were developed to represent graduated levels of symptom severity. A clinician panel and a panel of persons with multiple sclerosis (PwMS) were recruited, and, in separate, 1-day meetings, the panelists identified adjacent vignettes they judged to represent the threshold between two levels of severity for a given domain (e.g., threshold between a vignette that indicated "no problems" with sleep and the adjacent one that represented "mild problems" with sleep). Working independently, each panel (PwMS and clinicians) reached consensus on its recommended thresholds for each of the four targeted measures. Cut-scores were defined as the mean location for each pair of threshold vignettes. PwMS and clinician panels derived identical thresholds for severity levels of lower extremity function and sleep disturbance, but slightly different ones for upper extremity function and fatigue. In every case of divergence, PwMS set higher thresholds for more severe classifications of symptoms (by 0.5 SDs) than did clinicians. The modified bookmarking method is effective for defining thresholds for symptom severity based on self-reported outcome scores and consensus judgments. Derived cut-scores and severity levels provide an interpretative context for Neuro-QOL scores. Future studies should explore whether these findings can be replicated and evaluate the validity of the classifications compared to external criteria.

  8. [Validation of an observer-based rating set compared to a standardized written psychological test for the diagnosis of depression and anxiety in a university preadmission test center].

    Science.gov (United States)

    Schulz-Stübner, S; de Bruin, J; Neuser, J; Rossaint, R

    2001-06-01

    Depression and anxiety can be a major factor of perioperative stress and might contribute to patients dissatisfaction with medical care if they remain unrecognized. There are several methods to diagnose depression and anxiety like standardized written psychological tests or self report scales. Because these tests are not always suitable for routine use in a busy preadmission test center we evaluated an observer-based rating set for the diagnosis of depression and anxiety. 70 patients of a university hospital preadmission test center were tested with the HADS-D-Test and the observer-based rating set after approval of the institutional review board and written informed consent. Test-data were compared using a logistic regression model and demographic variables were analyzed using t-Test. ANOVA and Pearson correlation. The prevalence of depression in our study population was 11.11% (14.75% in male, 9.76% in female) and the prevalence of anxiety was 7.14% (6.9% in male and 7.32% in female). The correlation between the observer-based rating items and the HADS-D-diagnosis was statistically highly significant. The observer based items "unsteady eye movements" and "general worrisome mood" proved to be especially sensitive for anxiety and the items "sorrowful mood" and "impression of resignation" were sensitive for depression without any influence of the experience of the anesthesiologist. A higher prevalence of depression and anxiety was found in patients with ASA-class III compared to those with ASA-classes I and II while age and type of surgery had no significant influence. Based on our observations depression and anxiety are a relevant factor of preoperative morbidity assessment. Observer-based items are a reliable tool to detect those patients which might need special assistance and therapy in the perioperative period to reduce stress associated with high preexisting levels of depression and anxiety.

  9. Patient perspectives with abbreviated versus standard pre-test HIV counseling in the prenatal setting: a randomized-controlled, non-inferiority trial.

    Science.gov (United States)

    Cohan, Deborah; Gomez, Elvira; Greenberg, Mara; Washington, Sierra; Charlebois, Edwin D

    2009-01-01

    In the US, an unacceptably high percentage of pregnant women do not undergo prenatal HIV testing. Previous studies have found increased uptake of prenatal HIV testing with abbreviated pre-test counseling, however little is known about patient decision making, testing satisfaction and knowledge in this setting. A randomized-controlled, non-inferiority trial was conducted from October 2006 through February 2008 at San Francisco General Hospital (SFGH), the public teaching hospital of the City and County of San Francisco. A total of 278 English- and Spanish-speaking pregnant women were randomized to receive either abbreviated or standard nurse-performed HIV test counseling at the initial prenatal visit. Patient decision making experience was compared between abbreviated versus standard HIV counseling strategies among a sample of low-income, urban, ethnically diverse prenatal patients. The primary outcome was the decisional conflict score (DCS) using O'Connor low-literacy scale and secondary outcomes included satisfaction with test decision, basic HIV knowledge and HIV testing uptake. We conducted an intention-to-treat analysis of 278 women--134 (48.2%) in the abbreviated arm (AA) and 144 (51.8%) in the standard arm (SA). There was no significant difference in the proportion of women with low decisional conflict (71.6% in AA vs. 76.4% in SA, p = .37), and the observed mean difference between the groups of 3.88 (95% CI: -0.65, 8.41) did not exceed the non-inferiority margin. HIV testing uptake was very high (97. 8%) and did not differ significantly between the 2 groups (99.3% in AA vs. 96.5% in SA, p = .12). Likewise, there was no difference in satisfaction with testing decision (97.8% in AA vs. 99.3% in SA, p = .36). However, women in AA had significantly lower mean HIV knowledge scores (78.4%) compared to women in SA (83.7%, pprocess, while associated with slightly lower knowledge, does not compromise patient decision making or satisfaction regarding HIV testing

  10. Search for a Standard Model Higgs Boson in the Channel $VH\\to VWW$ with Leptons and Hadronic $\\tau$ in the Full CDF Run II Data Set

    Energy Technology Data Exchange (ETDEWEB)

    Bertoli, Gabriele [Univ. of Trieste (Italy)

    2015-08-27

    We present the results of the CDF search for a Standard Model Higgs boson decaying into a pair of W bosons with electrons, muons and hadronically decaying taus in the final state. In particular, we investigate a channel with three objects, two leptons and a tau. In 9.7 fb-1 of data we expect 40.0 ± 5.4 background events and 0.54 ± 0.05 signal events for a Higgs mass hypothesis of 160 GeV/c2, whereas in data we count 28 events. We set a 95% C.L. upper limit on σ/σSM of 12.6 for a Higgs mass hypothesis of 160 GeV/c2. The expected 95% C.L. upper limit for the same mass is 12.4. Results for other ninete 0 GeV/c2 to 200 GeV/c2 are also presented.

  11. Using the Vape Shop Standardized Tobacco Assessment for Retail Settings (V-STARS) to Assess Product Availability, Price Promotions, and Messaging in New Hampshire Vape Shop Retailers.

    Science.gov (United States)

    Kong, Amanda Y; Eaddy, Jessica L; Morrison, Susan L; Asbury, Donna; Lindell, Kristine M; Ribisl, Kurt M

    2017-04-01

    This is the first statewide census of the product availability, price promotions, and product messaging of vape shops. A comprehensive list of New Hampshire vape shops was developed through a previously validated online search method. Store audits were conducted in 55 stores between January and February 2016 using the Vape Shop Standardized Tobacco Assessment for Retail Settings (V-STARS). Modifiable devices and cig-alikes were sold in 92.6% and 14.6% of stores, respectively. Cross-product promotions with tobacco products were rare, and messaging promoting e-cigarettes as effective cessation devices was found in 27.3% of all stores. Candy/fruit and menthol e-liquids were most commonly found in stores, and sampling of products was available in 83.6% of stores. Ten (18.2%) stores did not have a minimum age sign posted, and self-service sampling displays were available in about one-fifth of stores. Using V-STARS to conduct retail assessments of vape shops is feasible and is important for assessing the changing retail environment of vape shops. Vape shops distinguish themselves from traditional tobacco product retailers and offer a variety of products to customize a consumer's experience. Regulations and effective enforcement ensuring accurate health messages is essential.

  12. 75 FR 76337 - 2017 and Later Model Year Light-Duty Vehicle GHG Emissions and CAFE Standards: Supplemental...

    Science.gov (United States)

    2010-12-08

    ... agencies should break the MY 2017- 2025 standard setting process into three separate rulemakings, rather than establishing standards for all of these MYs in the current rulemaking process. OEM recommendations... provide a strong basis for setting a standard of at least 6 percent annual improvement rate, which they...

  13. 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.

  14. Technical support document: Energy efficiency standards for consumer products: Room air conditioners, water heaters, direct heating equipment, mobile home furnaces, kitchen ranges and ovens, pool heaters, fluorescent lamp ballasts and television sets. Volume 1, Methodology

    Energy Technology Data Exchange (ETDEWEB)

    1993-11-01

    The Energy Policy and Conservation Act (P.L. 94-163), as amended, establishes energy conservation standards for 12 of the 13 types of consumer products specifically covered by the Act. The legislation requires the Department of Energy (DOE) to consider new or amended standards for these and other types of products at specified times. DOE is currently considering amending standards for seven types of products: water heaters, direct heating equipment, mobile home furnaces, pool heaters, room air conditioners, kitchen ranges and ovens (including microwave ovens), and fluorescent light ballasts and is considering establishing standards for television sets. This Technical Support Document presents the methodology, data, and results from the analysis of the energy and economic impacts of the proposed standards. This volume presents a general description of the analytic approach, including the structure of the major models.

  15. Can we predict which hospitalised patients are in their last year of life? A prospective cross-sectional study of the Gold Standards Framework Prognostic Indicator Guidance as a screening tool in the acute hospital setting.

    Science.gov (United States)

    O'Callaghan, Anne; Laking, George; Frey, Rosemary; Robinson, Jackie; Gott, Merryn

    2014-09-01

    Screening to identify hospital inpatients with a short life expectancy may be a way to improve care towards the end of life. The Gold Standards Framework Prognostic Indicator Guidance is a screening tool that has recently been advocated for use in the hospital setting. To assess the clinical utility of the Gold Standards Framework Prognostic Indicator Guidance as a screening tool in an acute hospital setting. Mortality at 6 and 12 months and sensitivity, specificity and predictive value of the Gold Standards Framework Prognostic Indicator Guidance at 1 year. Prospective cross-sectional study of 501 adult inpatients in a tertiary New Zealand teaching hospital screened utilising the Gold Standards Framework Prognostic Indicator Guidance. A total of 99 patients were identified as meeting at least one of the Gold Standards Framework Prognostic Indicator Guidance triggers. In this group, 6-month mortality was 56.6% and 12-month mortality was 67.7% compared with 5.2% and 10%, respectively, for those not identified as meeting the criteria. The sensitivity and specificity of the Gold Standards Framework Prognostic Indicator Guidance at 1 year were 62.6% and 91.9%, respectively, with a positive predictive value of 67.7% and a negative predictive value of 90.0%. The sensitivity, specificity and predictive values of the Gold Standards Framework Prognostic Indicator Guidance in this study are comparable to, or better than, results of studies identifying patients with a limited life expectancy in particular disease states (e.g. heart failure and renal failure). Screening utilising the Gold Standards Framework Prognostic Indicator Guidance in the acute setting could be the first step towards implementing a more systematic way of addressing patient need--both current unrecognised and future anticipated--thereby improving outcomes for this population. © The Author(s) 2014.

  16. A geographical analysis of constituents’ formal participation in the process of international accounting standard setting : Do we have a level playing field?

    NARCIS (Netherlands)

    Jorissen, A.; Lybaert, N.; Orens, R.; van der Tas, L.G.

    2013-01-01

    As a private organization, input legitimacy, being achieved when inputs received reflect the opinions of all stakeholders involved, is a key issue for the IASB’s acceptance as global standard setter. To study this input legitimacy, this paper examines the evolution of constituent participation in

  17. The Impact of Adapting a General Professional Development Framework to the Constraints of In-Service Professional Development on the Next Generation Science Standards in Urban Settings

    Science.gov (United States)

    McGee, Steven; Nutakki, Nivedita

    2017-01-01

    Urban school districts face a dilemma in providing professional development support for teachers in transition to the Next Generation Science Standards (NGSS). Districts need to maximize the quality and amount of professional development within practical funding constraints. In this paper, we discuss preliminary results from a…

  18. A Standardized Needs Assessment Tool to Inform the Curriculum Development Process for Pediatric Resuscitation Simulation-Based Education in Resource-Limited Settings

    Directory of Open Access Journals (Sweden)

    Nicole Shilkofski

    2018-02-01

    Full Text Available IntroductionUnder five mortality rates (UFMR remain high for children in low- and middle-income countries (LMICs in the developing world. Education for practitioners in these environments is a key factor to improve outcomes that will address United Nations Sustainable Development Goals 3 and 10 (good health and well being and reduced inequalities. In order to appropriately contextualize a curriculum using simulation, it is necessary to first conduct a needs assessment of the target learner population. The World Health Organization (WHO has published a tool to assess capacity for emergency and surgical care in LMICs that is adaptable to this goal.Materials and methodsThe WHO Tool for Situational Analysis to Assess Emergency and Essential Surgical Care was modified to assess pediatric resuscitation capacity in clinical settings in two LMICs: Uganda and Myanmar. Modifications included assessment of self-identified learning needs, current practices, and perceived epidemiology of disease burden in each clinical setting, in addition to assessment of pediatric resuscitation capacity in regard to infrastructure, procedures, equipment, and supplies. The modified tool was administered to 94 respondents from the two settings who were target learners of a proposed simulation-based curriculum in pediatric and neonatal resuscitation.ResultsInfectious diseases (respiratory illnesses and diarrheal disease were cited as the most common causes of pediatric deaths in both countries. Self-identified learning needs included knowledge and skill development in pediatric airway/breathing topics, as well as general resuscitation topics such as CPR and fluid resuscitation in shock. Equipment and supply availability varied substantially between settings, and critical shortages were identified in each setting. Current practices and procedures were often limited by equipment availability or infrastructural considerations.Discussion and conclusionEpidemiology of disease

  19. A randomized controlled trial comparing customized versus standard headrests for head and neck radiotherapy immobilization in terms of set-up errors, patient comfort and staff satisfaction (ICORG 08-09)

    International Nuclear Information System (INIS)

    Howlin, C.; O'Shea, E.; Dunne, M.; Mullaney, L.; McGarry, M.; Clayton-Lea, A.; Finn, M.; Carter, P.; Garret, B.; Thirion, P.

    2015-01-01

    Purpose: To recommend a specific headrest, customized or standard, for head and neck radiotherapy patients in our institution based primarily on an evaluation of set-up accuracy, taking into account a comparison of patient comfort, staff and patient satisfaction, and resource implications. Methods and materials: Between 2008 and 2009, 40 head and neck patients were randomized to either a standard (Arm A, n = 21) or customized (Arm B, n = 19) headrest, and immobilized with a customized thermoplastic mask. Set-up accuracy was assessed using electronic portal images (EPI). Random and systematic set-up errors for each arm were determined from 668 EPIs, which were analyzed by one Radiation Therapist. Patient comfort was assessed using a visual analogue scale (VAS) and staff satisfaction was measured using an in-house questionnaire. Resource implications were also evaluated. Results: The difference in set-up errors between arms was not significant in any direction. However, in this study the standard headrest (SH) arm performed well, with set-up errors comparative to customized headrests (CHs) in previous studies. CHs require regular monitoring and 47% were re-vacuumed making them more resource intensive. Patient comfort and staff satisfaction were comparable in both arms. Conclusion: The SH provided similar treatment accuracy and patient comfort compared with the CH. The large number of CHs that needed to be re-vacuumed undermines their reliability for radiotherapy schedules that extend beyond 34 days from the initial CT scan. Accordingly the CH was more resource intensive without improving the accuracy of positioning, thus the standard headrest is recommended for continued use at our institution

  20. Development of a set of multiplex standard polymerase chain reaction assays for the identification of infectious agents from aborted bovine clinical samples.

    Science.gov (United States)

    Tramuta, Clara; Lacerenza, Daniela; Zoppi, Simona; Goria, Mariella; Dondo, Alessandro; Ferroglio, Ezio; Nebbia, Patrizia; Rosati, Sergio

    2011-07-01

    The current study describes the development of a set of 5 multiplex polymerase chain reaction (mPCR) assays for the simultaneous detection of abortive infection agents in bovine fetal tissues, including Brucella spp., Leptospira spp., and Campylobacter fetus (mPCR1); Hammondia heydorni, Neospora caninum, and Toxoplasma gondii (mPCR2); Coxiella burnetii and Chlamydophila psittaci (mPCR3); Mycoplasma bovis, Mycoplasma bovigenitalium, and Ureaplasma diversum (mPCR4); and Bovine viral diarrhea virus (BVDV) and Bovine herpesvirus-1 (BoHV-1; mPCR5). The protocol was tested on different tissue samples collected from 50 aborted bovine fetuses, and it showed that out of the 50 fetuses, 7 (14%, mPCR2) were PCR-positive for N. caninum, 4 (8%, mPCR5) were PCR-positive for BVDV, and 2 (4%, mPCR4) were PCR-positive for U. diversum. The results obtained by using each multiplex PCR were 100% concordant with those obtained by using the respective PCR assays targeting single genes on the same specimens. Moreover, all multiplex PCR assays on clinical samples were compared with reference methods, obtaining a perfect accordance in all samples and confirming the validity of the set of multiplex PCR assays. The proposed set of multiplex PCR assays is, therefore, suitable for the simultaneous detection of the main infectious agents responsible for bovine abortion.

  1. C++ Coding Standards 101 Rules, Guidelines, and Best Practices

    CERN Document Server

    Sutter, Herb

    2005-01-01

    Consistent, high-quality coding standards improve software quality, reduce time-to-market, promote teamwork, eliminate time wasted on inconsequential matters, and simplify maintenance. Now, two of the world's most respected C++ experts distill the rich collective experience of the global C++ community into a set of coding standards that every developer and development team can understand and use as a basis for their own coding standards.

  2. The interRAI Acute Care instrument incorporated in an eHealth system for standardized and web-based geriatric assessment: strengths, weaknesses, opportunities and threats in the acute hospital setting

    OpenAIRE

    Devriendt, Els; Wellens, Nathalie I H; Flamaing, Johan; Declercq, Anja; Moons, Philip; Boonen, Steven; Milisen, Koen

    2013-01-01

    Background The interRAI Acute Care instrument is a multidimensional geriatric assessment system intended to determine a hospitalized older persons? medical, psychosocial and functional capacity and needs. Its objective is to develop an overall plan for treatment and long-term follow-up based on a common set of standardized items that can be used in various care settings. A Belgian web-based software system (BelRAI-software) was developed to enable clinicians to interpret the output and to com...

  3. Background to the development process, Automated Residential Energy Standard (ARES) in support of proposed interim energy conservation voluntary performance standards for new non-federal residential buildings: Volume 3

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1989-09-01

    This report documents the development and testing of a set of recommendations generated to serve as a primary basis for the Congressionally-mandated residential standard. This report treats only the residential building recommendations.

  4. Use of a brief standardized screening instrument in a primary care setting to enhance detection of social-emotional problems among youth in foster care.

    Science.gov (United States)

    Jee, Sandra H; Halterman, Jill S; Szilagyi, Moira; Conn, Anne-Marie; Alpert-Gillis, Linda; Szilagyi, Peter G

    2011-01-01

    To determine whether systematic use of a validated social-emotional screening instrument in a primary care setting is feasible and improves detection of social-emotional problems among youth in foster care. Before-and-after study design, following a practice intervention to screen all youth in foster care for psychosocial problems using the Strengths and Difficulties Questionnaire (SDQ), a validated instrument with 5 subdomains. After implementation of systematic screening, youth aged 11 to 17 years and their foster parents completed the SDQ at routine health maintenance visits. We assessed feasibility of screening by measuring the completion rates of SDQ by youth and foster parents. We compared the detection of psychosocial problems during a 2-year period before systematic screening to the detection after implementation of systematic screening with the SDQ. We used chart reviews to assess detection at baseline and after implementing systematic screening. Altogether, 92% of 212 youth with routine visits that occurred after initiation of screening had a completed SDQ in the medical record, demonstrating high feasibility of systematic screening. Detection of a potential mental health problem was higher in the screening period than baseline period for the entire population (54% vs 27%, P problem domains on the SDQ. Systematic screening for potential social-emotional problems among youth in foster care was feasible within a primary care setting and doubled the detection rate of potential psychosocial problems. Copyright © 2011 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

  5. 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

  6. 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.

  7. 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....

  8. Algebraic Specifications, Higher-order Types and Set-theoretic Models

    DEFF Research Database (Denmark)

    Kirchner, Hélène; Mosses, Peter David

    2001-01-01

    , and power-sets. This paper presents a simple framework for algebraic specifications with higher-order types and set-theoretic models. It may be regarded as the basis for a Horn-clause approximation to the Z framework, and has the advantage of being amenable to prototyping and automated reasoning. Standard...

  9. A commentary on 'generally representative is representative of none: pitfalls of IQ test standardization in multicultural settings' by A.B. Shuttleworth-Edwards.

    Science.gov (United States)

    Sunderaraman, Preeti; Zahodne, Laura B; Manly, Jennifer J

    2016-10-01

    We offer an appraisal of Professor Shuttleworth-Edwards's commentary (2016) on the extraordinary challenges of assessment of cognitive function in a culturally, educationally, racially, and linguistically diverse population. First, we discuss the purpose of using intelligence tests in South Africa and beyond in order to clarify the reference group on which norms will be based. Next, we discuss the psychometric consequences of Pearson's decisions to not adapt their measure of intellectual functioning to the cultural background of the majority of South Africans, and to use a population-matched normative sample in which the disadvantaged group is in the majority. We echo Professor Shuttleworth-Edwards's call for large-scale empirical studies of cognitive test performance in a multicultural context. We conclude the article by urging the entire community of neuropsychologists to hold test companies accountable to strict, ethical, and comprehensive standards for production of accurate and appropriate measurement of cognitive function.

  10. Geologic Interpretation of Data Sets Collected by Planetary Analog Geology Traverses and by Standard Geologic Field Mapping. Part 1; A Comparison Study

    Science.gov (United States)

    Eppler, Dean B.; Bleacher, Jacob F.; Evans, Cynthia A.; Feng, Wanda; Gruener, John; Hurwitz, Debra M.; Skinner, J. A., Jr.; Whitson, Peggy; Janoiko, Barbara

    2013-01-01

    Geologic maps integrate the distributions, contacts, and compositions of rock and sediment bodies as a means to interpret local to regional formative histories. Applying terrestrial mapping techniques to other planets is challenging because data is collected primarily by orbiting instruments, with infrequent, spatiallylimited in situ human and robotic exploration. Although geologic maps developed using remote data sets and limited "Apollo-style" field access likely contain inaccuracies, the magnitude, type, and occurrence of these are only marginally understood. This project evaluates the interpretative and cartographic accuracy of both field- and remote-based mapping approaches by comparing two 1:24,000 scale geologic maps of the San Francisco Volcanic Field (SFVF), north-central Arizona. The first map is based on traditional field mapping techniques, while the second is based on remote data sets, augmented with limited field observations collected during NASA Desert Research & Technology Studies (RATS) 2010 exercises. The RATS mission used Apollo-style methods not only for pre-mission traverse planning but also to conduct geologic sampling as part of science operation tests. Cross-comparison demonstrates that the Apollo-style map identifies many of the same rock units and determines a similar broad history as the field-based map. However, field mapping techniques allow markedly improved discrimination of map units, particularly unconsolidated surficial deposits, and recognize a more complex eruptive history than was possible using Apollo-style data. Further, the distribution of unconsolidated surface units was more obvious in the remote sensing data to the field team after conducting the fieldwork. The study raises questions about the most effective approach to balancing mission costs with the rate of knowledge capture, suggesting that there is an inflection point in the "knowledge capture curve" beyond which additional resource investment yields progressively

  11. Setting the standard for routine asthma consultations: a discussion of the aims, process and outcomes of reviewing people with asthma in primary care.

    Science.gov (United States)

    Pinnock, Hilary; Fletcher, Monica; Holmes, Steve; Keeley, Duncan; Leyshon, Jane; Price, David; Russell, Richard; Versnel, Jenny; Wagstaff, Bronwen

    2010-03-01

    Globally, asthma morbidity remains unacceptably high. If outcomes are to be improved, it is crucial that routine review consultations in primary care are performed to a high standard. Key components of a review include: * Assessment of control using specific morbidity questions to elucidate the presence of symptoms, in conjunction with the frequency of use of short-acting bronchodilators and any recent history of acute attacks * After consideration of the diagnosis, and an assessment of compliance, inhaler technique, smoking status, triggers, and rhinitis, identification of poor control should result in a step-up of treatment in accordance with evidence-based guideline recommendations * Discussion should address understanding of the condition, patient-centred management goals and attitudes to regular treatment, and should include personalised self-management education Regular review of people with asthma coupled with provision of self-management education improves outcomes. Underpinned by a theoretical framework integrating professional reviews and patient self-care we discuss the practical barriers to implementing guided selfmanagement in routine clinical practice.

  12. A systematic review of the cost and cost effectiveness of using standard oral nutritional supplements in community and care home settings.

    Science.gov (United States)

    Elia, M; Normand, C; Laviano, A; Norman, K

    2016-02-01

    Despite the clinical benefits of using standard (non-disease specific) oral nutritional supplements (ONS) in the community and care homes, there is uncertainty about their economic consequences. A systematic review was undertaken according to recommended procedures to assess whether ONS can produce cost savings and cost-effective outcomes. 19 publications with and without a hospital component were identified: 9 full text papers, 9 abstracts, and 1 report with retrospective analyses of 6 randomised controlled trials. From these publications a total of 31 cost and 4 cost-effectiveness analyses were identified. Most were retrospective analyses based on clinical data from randomised controlled trials (RCTs). In 9 studies/economic models involving ONS use for 0.05; 5 studies). In RCTs, ONS accounted for less than 5% of the total costs and the investment in the community produced a cost saving in hospital. Meta-analysis indicated that ONS reduced hospitalisation significantly (16.5%; P < 0.001; 9 comparisons) and mortality non-significantly (Relative risk 0.86 (95% CI, 0.61, 1.22); 8 comparisons). Many clinically relevant outcomes favouring ONS were reported: improved quality of life, reduced infections, reduced minor post-operative complications, reduced falls, and functional limitations. Of the cost-effectiveness analyses involving quality adjusted life years or functional limitations, most favoured the ONS group. The care home studies (4 cost analyses; 2 cost-effectiveness analyses) had differing aims, designs and conclusions. Overall, the reviewed studies, mostly based on retrospective cost analyses, indicate that ONS use in the community produce an overall cost advantage or near neutral balance, often in association with clinically relevant outcomes, suggesting cost effectiveness. There is a need for prospective studies designed to examine primary economic outcomes. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  13. 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

  14. 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 ...

  15. 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.

  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. Assessment of the Professional Competencies of Pedagogue-Psychologists on the Basis of the Professional Standard «Pedagogue-Psychologist (Educational Psychologist» as a Modern Tool for Human Resources Management

    Directory of Open Access Journals (Sweden)

    Oltarzhevskaya L.E.

    2017-11-01

    Full Text Available The results of monitoring the evaluation and self-assessment of the competencies of the pedagogue-psychologist according to the content of the labor functions of the professional standard "Pedagogue-psychologist (educational psychologist" are given. 340 pedagogues-psychologists participated in the monitoring, working in the City Center of Psychological and Educational Assistance. The toolkit consisted of: a self-assessment questionnaire of professional competencies, a test task for psychological knowledge, a colloquium based on a semi-structured interview with pedagogues-psychologists on their professional activities. Based on the results obtained, the psychology teachers working in the City Psychological and Pedagogical Center were divided into four groups, depending on the results of the interview and the fulfillment of the test task. In relation to psychologists who received low scores in the interview and poor test results, management decisions were proposed to develop their professional competence.

  18. 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)

  19. IPMA Standard Competence Scope in Project Management Education

    Science.gov (United States)

    Bartoška, Jan; Flégl, Martin; Jarkovská, Martina

    2012-01-01

    The authors of the paper endeavoured to find out key competences in IPMA standard for educational approaches in project management. These key competences may be used as a basis for project management university courses. An incidence matrix was set up, containing relations between IPMA competences described in IPMA competence baseline. Further,…

  20. 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

  1. 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.

  2. Effectiveness of the GAEC cross compliance standards Rational management of set aside, Grass strips to control soil erosion and Vegetation buffers along watercourses on surface animal diversity and biological quality of soil

    Directory of Open Access Journals (Sweden)

    Marta Biaggini

    2011-08-01

    Full Text Available Landscape simplification and loss of natural and semi-natural habitats are the major causes of biodiversity decrease in agricultural landscapes. In order to mitigate the effects of intensive agricultural management the Ministry of Agricultural, Food and Forestry Policies in Italy has included the agronomic measures Rational management of set aside, Grass strips to control soil erosion and Vegetation buffers along watercourses in the decree on cross compliance. In this paper we review the results of a field research performed in Central Italy. The aim of the study was to evaluate the efficacy of the above mentioned GAEC standards for animal diversity enhancement. Using different animal groups as indicators, superficial Arthropod fauna and Herpetofauna, we found striking differences in the biodiversity levels of areas characterized by the application or by the lack of GAEC standards, with the latter being characterized by a significatively impoverished fauna. In particular, the set aside area and the buffer of riparian vegetation resulted of primary importance to allow higher biodiversity levels. Also the analysis of the biological quality of the soil, as assessed through the QBS-ar index based on edaphic micro-Arthropod fauna, indicated a higher quality of semi-natural habitats with respect to arable lands.

  3. Standardization of the cumulative absolute velocity

    International Nuclear Information System (INIS)

    O'Hara, T.F.; Jacobson, J.P.

    1991-12-01

    EPRI NP-5930, ''A Criterion for Determining Exceedance of the Operating Basis Earthquake,'' was published in July 1988. As defined in that report, the Operating Basis Earthquake (OBE) is exceeded when both a response spectrum parameter and a second damage parameter, referred to as the Cumulative Absolute Velocity (CAV), are exceeded. In the review process of the above report, it was noted that the calculation of CAV could be confounded by time history records of long duration containing low (nondamaging) acceleration. Therefore, it is necessary to standardize the method of calculating CAV to account for record length. This standardized methodology allows consistent comparisons between future CAV calculations and the adjusted CAV threshold value based upon applying the standardized methodology to the data set presented in EPRI NP-5930. The recommended method to standardize the CAV calculation is to window its calculation on a second-by-second basis for a given time history. If the absolute acceleration exceeds 0.025g at any time during each one second interval, the earthquake records used in EPRI NP-5930 have been reanalyzed and the adjusted threshold of damage for CAV was found to be 0.16g-set

  4. 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.

  5. Setting a standard for electricity pilot studies

    International Nuclear Information System (INIS)

    Davis, Alexander L.; Krishnamurti, Tamar; Fischhoff, Baruch; Bruine de Bruin, Wandi

    2013-01-01

    In-home displays, dynamic pricing, and automated devices aim to reduce residential electricity use—overall and during peak hours. We present a meta-analysis of 32 studies of the impacts of these interventions, conducted in the US or Canada. We find that methodological problems are common in the design of these studies, leading to artificially inflated results relative to what one would expect if the interventions were implemented in the general population. Particular problems include having volunteer participants who may have been especially motivated to reduce their electricity use, letting participants choose their preferred intervention, and having high attrition rates. Using estimates of bias from medical clinical trials as a guide, we recalculate impact estimates to adjust for bias, resulting in values that are often less than half of those reported in the reviewed studies. We estimate that in-home displays were the most effective intervention for reducing overall electricity use (∼4% using reported data; ∼3% after adjusting for bias), while dynamic pricing significantly reduced peak demand (∼11% reported; ∼6% adjusted), especially when used in conjunction with home automation (∼25% reported; ∼14% adjusted). We conclude with recommendations that can improve pilot studies and the soundness of decisions based on their results. -- Highlights: •We conduct a meta-analysis of field studies of in-home displays, dynamic pricing, and automation on overall and peak use. •Studies were assessed and adjusted for risk-of-bias from inadequate experimental design. •Most studies were at high risk-of-bias from multiple sources. •In-home displays provided the best overall reduction in energy use, approximately 3% after adjustment for risk-of-bias. •Even after adjustment, automation approximately doubled the effectiveness of dynamic pricing on peak reduction from 6% to 14%

  6. setting sustainable standards for biofuel production

    African Journals Online (AJOL)

    OLAWUYI

    Table 1: Energy Production and Consumption in Nigeria, 2012. Energy source. Production. (in percentages). Consumption. (in percentages). Combustible renewable and waste. 84.9. 82. Oil products. 7.06. 13. Natural gas. 5.44. 4. Crude oil. 2.23. -. Hydroelectric. 0.36. 1. Other renewables. 0. 0. Nuclear. 0. 0. Coal and peat.

  7. The Flaws of Fragmented Financial Standard Setting

    DEFF Research Database (Denmark)

    Mügge, Daniel; Perry, James

    2014-01-01

    In the half decade following the 2007 financial crisis, the reform of global financial governance was driven by two separate policy debates: one on the substantive content of regulations, the other on the organizational architecture of their governance. The separation of the two debates among pol...

  8. 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.

  9. Basis convergence of range-separated density-functional theory.

    Science.gov (United States)

    Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

    2015-02-21

    Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

  10. Molecular basis for mitochondrial signaling

    CERN Document Server

    2017-01-01

    This book covers recent advances in the study of structure, function, and regulation of metabolite, protein and ion translocating channels, and transporters in mitochondria. A wide array of cutting-edge methods are covered, ranging from electrophysiology and cell biology to bioinformatics, as well as structural, systems, and computational biology. At last, the molecular identity of two important channels in the mitochondrial inner membrane, the mitochondrial calcium uniporter and the mitochondrial permeability transition pore have been established. After years of work on the physiology and structure of VDAC channels in the mitochondrial outer membrane, there have been multiple discoveries on VDAC permeation and regulation by cytosolic proteins. Recent breakthroughs in structural studies of the mitochondrial cholesterol translocator reveal a set of novel unexpected features and provide essential clues for defining therapeutic strategies. Molecular Basis for Mitochondrial Signaling covers these and many more re...

  11. Measurement of basis weight by radiation gauge

    International Nuclear Information System (INIS)

    Buchnea, A.

    1981-01-01

    For accurate measurement of the basis weight (mass per unit area) of a material such as paper between a radioactive source and an ionization chamber the apparatus is calibrated by using a plurality of standards of known basis weight to provide a relationship between basis weight and the output current of the chamber which includes at least terms of the second order and preferably terms of higher orders. The major portion of the radiation path is enclosed in airtight chambers which are sufficiently rigid that the density therein is independent of ambient temperature and pressure variations. The accuracy is increased by measuring ambient temperature and pressure fluctuations, and linearly compensating for resultant density variations in the air gap through which the paper web passes. A wheel holding the standards is induced by a motor and a perforated encoding disc. (author)

  12. WEST Physics Basis

    Science.gov (United States)

    Bourdelle, C.; Artaud, J. F.; Basiuk, V.; Bécoulet, M.; Brémond, S.; Bucalossi, J.; Bufferand, H.; Ciraolo, G.; Colas, L.; Corre, Y.; Courtois, X.; Decker, J.; Delpech, L.; Devynck, P.; Dif-Pradalier, G.; Doerner, R. P.; Douai, D.; Dumont, R.; Ekedahl, A.; Fedorczak, N.; Fenzi, C.; Firdaouss, M.; Garcia, J.; Ghendrih, P.; Gil, C.; Giruzzi, G.; Goniche, M.; Grisolia, C.; Grosman, A.; Guilhem, D.; Guirlet, R.; Gunn, J.; Hennequin, P.; Hillairet, J.; Hoang, T.; Imbeaux, F.; Ivanova-Stanik, I.; Joffrin, E.; Kallenbach, A.; Linke, J.; Loarer, T.; Lotte, P.; Maget, P.; Marandet, Y.; Mayoral, M. L.; Meyer, O.; Missirlian, M.; Mollard, P.; Monier-Garbet, P.; Moreau, P.; Nardon, E.; Pégourié, B.; Peysson, Y.; Sabot, R.; Saint-Laurent, F.; Schneider, M.; Travère, J. M.; Tsitrone, E.; Vartanian, S.; Vermare, L.; Yoshida, M.; Zagorski, R.; Contributors, JET

    2015-06-01

    With WEST (Tungsten Environment in Steady State Tokamak) (Bucalossi et al 2014 Fusion Eng. Des. 89 907-12), the Tore Supra facility and team expertise (Dumont et al 2014 Plasma Phys. Control. Fusion 56 075020) is used to pave the way towards ITER divertor procurement and operation. It consists in implementing a divertor configuration and installing ITER-like actively cooled tungsten monoblocks in the Tore Supra tokamak, taking full benefit of its unique long-pulse capability. WEST is a user facility platform, open to all ITER partners. This paper describes the physics basis of WEST: the estimated heat flux on the divertor target, the planned heating schemes, the expected behaviour of the L-H threshold and of the pedestal and the potential W sources. A series of operating scenarios has been modelled, showing that ITER-relevant heat fluxes on the divertor can be achieved in WEST long pulse H-mode plasmas.

  13. ITER technical basis

    International Nuclear Information System (INIS)

    2002-01-01

    Following on from the Final Report of the EDA(DS/21), and the summary of the ITER Final Design report(DS/22), the technical basis gives further details of the design of ITER. It is in two parts. The first, the Plant Design specification, summarises the main constraints on the plant design and operation from the viewpoint of engineering and physics assumptions, compliance with safety regulations, and siting requirements and assumptions. The second, the Plant Description Document, describes the physics performance and engineering characteristics of the plant design, illustrates the potential operational consequences foe the locality of a generic site, gives the construction, commissioning, exploitation and decommissioning schedule, and reports the estimated lifetime costing based on data from the industry of the EDA parties

  14. Environmental effectiveness of GAEC cross-compliance Standard 1.1a (temporary ditches and 1.2g (permanent grass cover of set-aside in reducing soil erosion and economic evaluation of the competitiveness gap for farmers

    Directory of Open Access Journals (Sweden)

    Paolo Bazzoffi

    2016-02-01

    Full Text Available This paper shows the results of the monitoring carried out in three hilly farms of the MONACO project in order to verify the effectiveness of the Standard 1.1 (commitment a (temporary ditches and Standard 1.2 (commitment g (Vegetation cover throughout the year in set-aside land in the reduction in soil erosion, contained in Rule 1: ‘minimum land management that meets specific conditions’ of the decree Mipaaf 2009 and following modifications, until the recent decree No. 180 of January 23, 2015. In addition, the assessment of the competitiveness gap was done. That is the evaluation of the additional costs borne by the beneficiary of the single payment determined from agronomic commitments. Monitoring has also compared the erosion actually observed in the field with that predicted by RUSLE model (Revised Universal Soil Loss Equation (Renard et al., 1997 in the two situations: with and without the presence of temporary ditches, i.e. assuming Factual (compliance rules and in that Counterfactual (infringement. This comparison was made in view of the fact that the RUSLE model was chosen by the 'European Evaluation Network for Rural Development (EEN, 2013 as a forecasting tool for the quantification of' Common Indicator ‘soil erosion by water’. The results of soil erosion survey carried out by using a new  UAV-GIS methodology  on two monitoring farms in two years of observations have shown that temporary ditches were effective in decreasing erosion, on average, by 42.5%, from 36. 59 t ha-1 to 21.05 t ha-1 during the monitoring period. It was also evaluated the effectiveness of grass strips (at variance with the commitment of temporary ditches. The results showed a strong, highly significant, reduction in erosion by about 35% times respect soil erosion observed in bare soil and also a significant reduction in the volume of runoff water.  With regard to Standard 1.2 (commitment g the statistical analysis shows a strong and highly significant

  15. Simulant Basis for the Standard High Solids Vessel Design

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Reid A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fiskum, Sandra K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suffield, Sarah R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Daniel, Richard C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gauglitz, Phillip A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wells, Beric E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-09-01

    This document provides the requirements for a test simulant suitable for demonstrating the mixing requirements for the Single High Solids Vessel Design (SHSVD). This simulant has not been evaluated for other purposes such as gas retention and release or erosion. The objective of this work is to provide an underpinning for the simulant properties based on actual waste characterization.

  16. Reduced basis catalogs for gravitational wave templates.

    Science.gov (United States)

    Field, Scott E; Galley, Chad R; Herrmann, Frank; Hesthaven, Jan S; Ochsner, Evan; Tiglio, Manuel

    2011-06-03

    We introduce a reduced basis approach as a new paradigm for modeling, representing and searching for gravitational waves. We construct waveform catalogs for nonspinning compact binary coalescences, and we find that for accuracies of 99% and 99.999% the method generates a factor of about 10-10(5) fewer templates than standard placement methods. The continuum of gravitational waves can be represented by a finite and comparatively compact basis. The method is robust under variations in the noise of detectors, implying that only a single catalog needs to be generated.

  17. The interRAI Acute Care instrument incorporated in an eHealth system for standardized and web-based geriatric assessment: strengths, weaknesses, opportunities and threats in the acute hospital setting

    Science.gov (United States)

    2013-01-01

    Background The interRAI Acute Care instrument is a multidimensional geriatric assessment system intended to determine a hospitalized older persons’ medical, psychosocial and functional capacity and needs. Its objective is to develop an overall plan for treatment and long-term follow-up based on a common set of standardized items that can be used in various care settings. A Belgian web-based software system (BelRAI-software) was developed to enable clinicians to interpret the output and to communicate the patients’ data across wards and care organizations. The purpose of the study is to evaluate the (dis)advantages of the implementation of the interRAI Acute Care instrument as a comprehensive geriatric assessment instrument in an acute hospital context. Methods In a cross-sectional multicenter study on four geriatric wards in three acute hospitals, trained clinical staff (nurses, occupational therapists, social workers, and geriatricians) assessed 410 inpatients in routine clinical practice. The BelRAI-system was evaluated by focus groups, observations, and questionnaires. The Strengths, Weaknesses, Opportunities and Threats were mapped (SWOT-analysis) and validated by the participants. Results The primary strengths of the BelRAI-system were a structured overview of the patients’ condition early after admission and the promotion of multidisciplinary assessment. Our study was a first attempt to transfer standardized data between home care organizations, nursing homes and hospitals and a way to centralize medical, allied health professionals and nursing data. With the BelRAI-software, privacy of data is guaranteed. Weaknesses are the time-consuming character of the process and the overlap with other assessment instruments or (electronic) registration forms. There is room for improving the user-friendliness and the efficiency of the software, which needs hospital-specific adaptations. Opportunities are a timely and systematic problem detection and continuity of

  18. The interRAI Acute Care instrument incorporated in an eHealth system for standardized and web-based geriatric assessment: strengths, weaknesses, opportunities and threats in the acute hospital setting.

    Science.gov (United States)

    Devriendt, Els; Wellens, Nathalie I H; Flamaing, Johan; Declercq, Anja; Moons, Philip; Boonen, Steven; Milisen, Koen

    2013-09-05

    The interRAI Acute Care instrument is a multidimensional geriatric assessment system intended to determine a hospitalized older persons' medical, psychosocial and functional capacity and needs. Its objective is to develop an overall plan for treatment and long-term follow-up based on a common set of standardized items that can be used in various care settings. A Belgian web-based software system (BelRAI-software) was developed to enable clinicians to interpret the output and to communicate the patients' data across wards and care organizations. The purpose of the study is to evaluate the (dis)advantages of the implementation of the interRAI Acute Care instrument as a comprehensive geriatric assessment instrument in an acute hospital context. In a cross-sectional multicenter study on four geriatric wards in three acute hospitals, trained clinical staff (nurses, occupational therapists, social workers, and geriatricians) assessed 410 inpatients in routine clinical practice. The BelRAI-system was evaluated by focus groups, observations, and questionnaires. The Strengths, Weaknesses, Opportunities and Threats were mapped (SWOT-analysis) and validated by the participants. The primary strengths of the BelRAI-system were a structured overview of the patients' condition early after admission and the promotion of multidisciplinary assessment. Our study was a first attempt to transfer standardized data between home care organizations, nursing homes and hospitals and a way to centralize medical, allied health professionals and nursing data. With the BelRAI-software, privacy of data is guaranteed. Weaknesses are the time-consuming character of the process and the overlap with other assessment instruments or (electronic) registration forms. There is room for improving the user-friendliness and the efficiency of the software, which needs hospital-specific adaptations. Opportunities are a timely and systematic problem detection and continuity of care. An actual shortage of

  19. Automatic sets and Delone sets

    International Nuclear Information System (INIS)

    Barbe, A; Haeseler, F von

    2004-01-01

    Automatic sets D part of Z m are characterized by having a finite number of decimations. They are equivalently generated by fixed points of certain substitution systems, or by certain finite automata. As examples, two-dimensional versions of the Thue-Morse, Baum-Sweet, Rudin-Shapiro and paperfolding sequences are presented. We give a necessary and sufficient condition for an automatic set D part of Z m to be a Delone set in R m . The result is then extended to automatic sets that are defined as fixed points of certain substitutions. The morphology of automatic sets is discussed by means of examples

  20. Which basis? Which image?

    Directory of Open Access Journals (Sweden)

    Cristina Càndito

    2012-06-01

    Full Text Available The digital revolution poses several questions to scholars of architectural representation. It is now difficult to speak of Geometry, because we have to distinguish between various geometries , and we can expand the potential construction of topology  and form finding of parametric relationships. It also raises the question about the current function of Drawing: from the undisputed foundation of the arts, in fact, drawing can now be replaced by images obtained by a process that often begins with the construction of a 3D model, then coated with materials and inserted in an existing or imagined setting that provides light sources. This process has strong similarities with the traditional artistic practices denouncing a foundation in their roots in contrast to its revolutionary potential.

  1. Math: Basic Skills Content Standards

    Science.gov (United States)

    CASAS - Comprehensive Adult Student Assessment Systems (NJ1), 2008

    2008-01-01

    This document presents content standards tables for math. [CASAS content standards tables are designed for educators at national, state and local levels to inform the alignment of content standards, instruction and assessment. The Content Standards along with the CASAS Competencies form the basis of the CASAS integrated assessment and curriculum…

  2. Basis UST leak detection systems

    International Nuclear Information System (INIS)

    Silveria, V.

    1992-01-01

    This paper reports that gasoline and other petroleum products are leaking from underground storage tanks (USTs) at an alarming rate, seeping into soil and groundwater. Buried pipes are an even greater culprit, accounting for most suspected and detected leaks according to Environmental Protection Agency (EPA) estimates. In response to this problem, the EPA issued regulations setting standards for preventing, detecting, reporting, and cleaning up leaks, as well as fiscal responsibility. However, federal regulations are only a minimum; some states have cracked down even harder Plant managers and engineers have a big job ahead of them. The EPA estimates that there are more than 75,000 fuel USTs at US industrial facilities. When considering leak detection systems, the person responsible for making the decision has five primary choices: inventory reconciliation combined with regular precision tightness tests; automatic tank gauging; groundwater monitoring; interstitial monitoring of double containment systems; and vapor monitoring

  3. Machine learning of radial basis function neural network based on Kalman filter: Implementation

    Directory of Open Access Journals (Sweden)

    Vuković Najdan L.

    2014-01-01

    Full Text Available In this paper we test three new sequential machine learning algorithms for radial basis function (RBF neural network based on Kalman filter theory. Three new algorithms are derived: linearized Kalman filter, linearized information filter and unscented Kalman filter. Having introduced and derived mathematical model of each algorithm in the previous part of the paper, in this part we test and assess their performance using standard test sets from machine learning community. RBF neural network and three developed algorithms are implemented in MATLAB® programming environment. Experimental results obtained on real data sets as well as on real engineering problem show that developed algorithms result in more accurate models of the problem being investigated based on radial basis function neural network.

  4. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert; E. Schneider

    2009-12-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 25 cost modules—23 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, transuranic, and high-level waste.

  5. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert; E. Schneider

    2008-03-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 25 cost modules—23 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, transuranic, and high-level waste.

  6. Advanced Fuel Cycle Cost Basis

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; K. A. Williams; W. B. Boore; J. D. Smith; B. W. Dixon; M. Dunzik-Gougar; R. D. Adams; D. Gombert

    2007-04-01

    This report, commissioned by the U.S. Department of Energy (DOE), provides a comprehensive set of cost data supporting a cost analysis for the relative economic comparison of options for use in the Advanced Fuel Cycle Initiative (AFCI) Program. The report describes the AFCI cost basis development process, reference information on AFCI cost modules, a procedure for estimating fuel cycle costs, economic evaluation guidelines, and a discussion on the integration of cost data into economic computer models. This report contains reference cost data for 26 cost modules—24 fuel cycle cost modules and 2 reactor modules. The cost modules were developed in the areas of natural uranium mining and milling, conversion, enrichment, depleted uranium disposition, fuel fabrication, interim spent fuel storage, reprocessing, waste conditioning, spent nuclear fuel (SNF) packaging, long-term monitored retrievable storage, near surface disposal of low-level waste (LLW), geologic repository and other disposal concepts, and transportation processes for nuclear fuel, LLW, SNF, and high-level waste.

  7. Why quasi-sets?

    Directory of Open Access Journals (Sweden)

    Décio Krause

    2002-11-01

    Full Text Available Quasi-set theory was developed to deal with collections of indistinguishable objects. In standard mathematics, there are no such kind of entities, for indistinguishability (agreement with respect to all properties entails numerical identity. The main motivation underlying such a theory is of course quantum physics, for collections of indistinguishable (’identical’ in the physicists’ jargon particles cannot be regarded as ’sets’ of standard set theories, which are collections of distinguishable objects. In this paper, a rationale for the development of such a theory is presented, motivated by Heinz Post’s claim that indistinguishability ofquantum entities should be attributed ’right at the start’.

  8. European standards for composite construction

    NARCIS (Netherlands)

    Stark, J.W.B.

    2000-01-01

    The European Standards Organisation (CEN) has planned to develop a complete set of harmonized European building standards. This set includes standards for composite steel and concrete buildings and bridges. The Eurocodes, being the design standards, form part of this total system of European

  9. Quality of semantic standards

    NARCIS (Netherlands)

    Folmer, E.J.A.

    2012-01-01

    Little scientific literature addresses the issue of quality of semantic standards, albeit a problem with high economic and social impact. Our problem survey, including 34 semantic Standard Setting Organizations (SSOs), gives evidence that quality of standards can be improved, but for improvement a

  10. What is "Standard" About the Standard Deviation

    OpenAIRE

    Newberger, Florence; Safer, Alan M.; Watson, Saleem

    2010-01-01

    The choice of the formula for standard deviation is explained in elementary statistics textbooks in various ways. We give an explanation for this formula by representing the data as a vector in $\\mathbb R^n$ and considering its distance from a central tendency vector. In this setting the "standard" formula represents a shortest distance in the standard metric. We also show that different metrics lead to different measures of central tendency.

  11. DOE technical standards list: Department of Energy standards index

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-05-01

    This Department of Energy (DOE) technical standards list (TSL) has been prepared by the Office of Nuclear Safety Policy and Standards (EH-31) on the basis of currently available technical information. Periodic updates of this TSL will be issued as additional information is received on standardization documents being issued, adopted, or canceled by DOE. This document was prepared for use by personnel involved in the selection and use of DOE technical standards and other Government and non-Government standards. This TSL provides listings of current DOE technical standards, non-Government standards that have been adopted by DOE, other standards-related documents in which DOE has a recorded interest, and canceled DOE technical standards. Information on new DOE technical standards projects, technical standards released for coordination, recently published DOE technical standards, and activities of non-Government standards bodies that may be of interest to DOE is published monthly in Standards Actions.

  12. 7 CFR 58.132 - Basis for classification.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Basis for classification. 58.132 Section 58.132 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Milk § 58.132 Basis for classification. The quality classification of raw milk for manufacturing...

  13. 7 CFR 868.203 - Basis of determination.

    Science.gov (United States)

    2010-01-01

    ... Application of Standards § 868.203 Basis of determination. The determination of seeds, objectionable seeds, heat-damaged kernels, red rice and damaged kernels, chalky kernels, other types, color, and the special...) types of rice shall be determined on the basis of the whole and large broken kernels of milled rice that...

  14. Setting limits on marine pollution

    International Nuclear Information System (INIS)

    1973-01-01

    The need for internationally acceptable standards and regulations for preventing pollution of the sea by radioactive materials was recognized by the United Nations Conference on the Law of the Sea, when it adopted the Convention on the High Seas in April 1958. Article 25 of the Convention provides that 'every State shall take measures to prevent pollution of the seas from the dumping of radioactive wastes, taking into account any standards and regulations which may be formulated by the competent international organizations'. The Conference also adopted a resolution recommending that the IAEA pursue studies and take action to assist States in controlling the discharge of radioactive materials into the sea. In response to this resolution, an expert panel was set up in 1958, under the Chairmanship of Mr. Brynielsson of Sweden, and met again in 1959, to recommend the necessary measures for ensuring that the disposal of radioactive wastes into the sea would not involve an unacceptable degree of hazard to man. The Director General of the IAEA and an expert panel in 1960 considered the administrative, organizational and legal measures which might be taken on an international level on the basis of the Brynielsson Report. This panel held four meetings between January 1961 and January 1963. From the very beginning of its work, two different views arose on the fundamental questions of the permissibility of disposing radioactive waste into the sea under international law. One viewpoint was to prohibit the disposal of all radioactive wastes into the sea, while the other proposed to seek permission prior to disposal and to register it. In 1967 a technical panel was convened to discuss Standardization of Waste Categories and in 1970 the panel on Procedures for Establishing Limits for Radionuclides in the Sea was aimed at clarifying the principles for limiting the introduction of radioactive waste into the sea and for establishing a register of radioactive waste discharged into

  15. Data Requirements and the Basis for Designing Health Information Kiosks.

    Science.gov (United States)

    Afzali, Mina; Ahmadi, Maryam; Mahmoudvand, Zahra

    2017-09-01

    Health kiosks are an innovative and cost-effective solution that organizations can easily implement to help educate people. To determine the data requirements and basis for designing health information kiosks as a new technology to maintain the health of society. By reviewing the literature, a list of information requirements was provided in 4 sections (demographic information, general information, diagnostic information and medical history), and questions related to the objectives, data elements, stakeholders, requirements, infrastructures and the applications of health information kiosks were provided. In order to determine the content validity of the designed set, the opinions of 2 physicians and 2 specialists in medical informatics were obtained. The test-retest method was used to measure its reliability. Data were analyzed using SPSS software. In the proposed model for Iran, 170 data elements in 6 sections were presented for experts' opinion, which ultimately, on 106 elements, a collective agreement was reached. To provide a model of health information kiosk, creating a standard data set is a critical point. According to a survey conducted on the various literature review studies related to the health information kiosk, the most important components of a health information kiosk include six categories; information needs, data elements, applications, stakeholders, requirements and infrastructure of health information kiosks that need to be considered when designing a health information kiosk.

  16. A case of standardization?

    DEFF Research Database (Denmark)

    Rod, Morten Hulvej; Høybye, Mette Terp

    2016-01-01

    Guidelines are increasingly used in an effort to standardize and systematize health practices at the local level and to promote evidence-based practice. The implementation of guidelines frequently faces problems, however, and standardization processes may in general have other outcomes than...... the ones envisioned by the makers of standards. In 2012, the Danish National Health Authorities introduced a set of health promotion guidelines that were meant to guide the decision making and priority setting of Denmark's 98 local governments. The guidelines provided recommendations for health promotion...... and standardization. It remains an open question whether or not the guidelines lead to more standardized policies and interventions, but we suggest that the guidelines promote a risk factor-oriented approach as the dominant frame for knowledge, reasoning, decision making and priority setting in health promotion. We...

  17. 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.

  18. Standard Weights and Measures

    Indian Academy of Sciences (India)

    The mass standard, represented by the proto- type kilogram, is the only remaining artifact, but there are promising proposals to replace that in the near future. Ever since humans started living in community settle- ments, day to day activities have required the adoption of a set of standards for weights and measures. For ex-.

  19. Technical basis document for internal dosimetry

    CERN Document Server

    Hickman, D P

    1991-01-01

    This document provides the technical basis for the Chem-Nuclear Geotech (Geotech) internal dosimetry program. Geotech policy describes the intentions of the company in complying with radiation protection standards and the as low as reasonably achievable (ALARA) program. It uses this policy and applicable protection standards to derive acceptable methods and levels of bioassay to assure compliance. The models and computational methods used are described in detail within this document. FR-om these models, dose- conversion factors and derived limits are computed. These computations are then verified using existing documentation and verification information or by demonstration of the calculations used to obtain the dose-conversion factors and derived limits. Recommendations for methods of optimizing the internal dosimetry program to provide effective monitoring and dose assessment for workers are provided in the last section of this document. This document is intended to be used in establishing an accredited dosi...

  20. Health value as a common criterion of ionizing radiation and other injurious factors in rate setting system

    International Nuclear Information System (INIS)

    Ramzaev, P.V.; Tarasov, S.I.; Mashneva, N.I.; Rodionova, L.F.; Sukal'skaya, S.Ya.

    1978-01-01

    A concept of ''health'' value'' is formulated as a single integral indicator of benefits and hazards to be used in setting standards for ionizing radiations and other deleterious factors. This concept incorporates socially meaningful indices such as life span, mental and physical work capacity, reproduction of healthy offspring, and state of well-being throughout lifetime. The ''health value'' should be considered primarily as a methodologic basis for hygienic evaluation of various situations and also in substantiating various standards