WorldWideScience

Sample records for all-atom structure validation

  1. MolProbity: all-atom structure validation for macromolecular crystallography

    International Nuclear Information System (INIS)

    Chen, Vincent B.; Arendall, W. Bryan III; Headd, Jeffrey J.; Keedy, Daniel A.; Immormino, Robert M.; Kapral, Gary J.; Murray, Laura W.; Richardson, Jane S.; Richardson, David C.

    2010-01-01

    MolProbity structure validation will diagnose most local errors in macromolecular crystal structures and help to guide their correction. MolProbity is a structure-validation web service that provides broad-spectrum solidly based evaluation of model quality at both the global and local levels for both proteins and nucleic acids. It relies heavily on the power and sensitivity provided by optimized hydrogen placement and all-atom contact analysis, complemented by updated versions of covalent-geometry and torsion-angle criteria. Some of the local corrections can be performed automatically in MolProbity and all of the diagnostics are presented in chart and graphical forms that help guide manual rebuilding. X-ray crystallography provides a wealth of biologically important molecular data in the form of atomic three-dimensional structures of proteins, nucleic acids and increasingly large complexes in multiple forms and states. Advances in automation, in everything from crystallization to data collection to phasing to model building to refinement, have made solving a structure using crystallography easier than ever. However, despite these improvements, local errors that can affect biological interpretation are widespread at low resolution and even high-resolution structures nearly all contain at least a few local errors such as Ramachandran outliers, flipped branched protein side chains and incorrect sugar puckers. It is critical both for the crystallographer and for the end user that there are easy and reliable methods to diagnose and correct these sorts of errors in structures. MolProbity is the authors’ contribution to helping solve this problem and this article reviews its general capabilities, reports on recent enhancements and usage, and presents evidence that the resulting improvements are now beneficially affecting the global database

  2. A real-time all-atom structural search engine for proteins.

    Science.gov (United States)

    Gonzalez, Gabriel; Hannigan, Brett; DeGrado, William F

    2014-07-01

    Protein designers use a wide variety of software tools for de novo design, yet their repertoire still lacks a fast and interactive all-atom search engine. To solve this, we have built the Suns program: a real-time, atomic search engine integrated into the PyMOL molecular visualization system. Users build atomic-level structural search queries within PyMOL and receive a stream of search results aligned to their query within a few seconds. This instant feedback cycle enables a new "designability"-inspired approach to protein design where the designer searches for and interactively incorporates native-like fragments from proven protein structures. We demonstrate the use of Suns to interactively build protein motifs, tertiary interactions, and to identify scaffolds compatible with hot-spot residues. The official web site and installer are located at http://www.degradolab.org/suns/ and the source code is hosted at https://github.com/godotgildor/Suns (PyMOL plugin, BSD license), https://github.com/Gabriel439/suns-cmd (command line client, BSD license), and https://github.com/Gabriel439/suns-search (search engine server, GPLv2 license).

  3. NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis.

    Science.gov (United States)

    Lindahl, Erik; Azuara, Cyril; Koehl, Patrice; Delarue, Marc

    2006-07-01

    Normal mode analysis (NMA) is an efficient way to study collective motions in biomolecules that bypasses the computational costs and many limitations associated with full dynamics simulations. The NOMAD-Ref web server presented here provides tools for online calculation of the normal modes of large molecules (up to 100,000 atoms) maintaining a full all-atom representation of their structures, as well as access to a number of programs that utilize these collective motions for deformation and refinement of biomolecular structures. Applications include the generation of sets of decoys with correct stereochemistry but arbitrary large amplitude movements, the quantification of the overlap between alternative conformations of a molecule, refinement of structures against experimental data, such as X-ray diffraction structure factors or Cryo-EM maps and optimization of docked complexes by modeling receptor/ligand flexibility through normal mode motions. The server can be accessed at the URL http://lorentz.immstr.pasteur.fr/nomad-ref.php.

  4. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

    Science.gov (United States)

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2014-10-16

    Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of

  5. Structural Interpretation of the Large Slowdown of Water Dynamics at Stacked Phospholipid Membranes for Decreasing Hydration Level: All-Atom Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Carles Calero

    2016-04-01

    Full Text Available Hydration water determines the stability and function of phospholipid membranes as well as the interaction of membranes with other molecules. Experiments and simulations have shown that water dynamics slows down dramatically as the hydration decreases, suggesting that the interfacial water that dominates the average dynamics at low hydration is slower than water away from the membrane. Here, based on all-atom molecular dynamics simulations, we provide an interpretation of the slowdown of interfacial water in terms of the structure and dynamics of water–water and water–lipid hydrogen bonds (HBs. We calculate the rotational and translational slowdown of the dynamics of water confined in stacked phospholipid membranes at different levels of hydration, from completely hydrated to poorly hydrated membranes. For all hydrations, we analyze the distribution of HBs and find that water–lipids HBs last longer than water–water HBs and that at low hydration most of the water is in the interior of the membrane. We also show that water–water HBs become more persistent as the hydration is lowered. We attribute this effect (i to HBs between water molecules that form, in turn, persistent HBs with lipids; (ii to the hindering of the H-bonding switching between water molecules due to the lower water density at the interface; and (iii to the higher probability of water–lipid HBs as the hydration decreases. Our interpretation of the large dynamic slowdown in water under dehydration is potentially relevant in understanding membrane biophysics at different hydration levels.

  6. Unambiguous Determination of Intermolecular Hydrogen Bond of NMR Structure by Molecular Dynamics Refinement Using All-Atom Force Field and Implicit Solvent Model

    International Nuclear Information System (INIS)

    Jee, Jun Goo

    2010-01-01

    It has been shown that AMD refinement is very useful for defining an intermolecular hydrogen bond in NMR structure calculation. The refined structure also provides a clue for explaining the pH dependence in Ub and UIM complexes. As reported by Choi et al., serine-mediated hydrogen bonds are the third most populated hydrogen bonds found in protein-protein intermolecular interactions, after the backbone-backbone and backbone-aspartate ones. The abundance imposes the requirement of an method to determine the interface of protein-protein complexes. The precise geometry is particularly important in the complex structures between Ub and UBDs. Ub recognizes various targets with the same surface, where both hydrophobic and hydrophobic interactions are involved. Hence, the details of the hydrophilic interactions are necessary to find the common binding modes. The structure determination of a biomolecule by NMR depends heavily on the distance restraints derived by the NOE cross peaks that are observed between two protons within 6 A through space. Therefore, the existence of the NOE peaks and their correct assignments to two corresponding protons are essential for an accurate and precise structure determination. Recent developments of NOE assignment and calculation algorithms have enabled the determination of protein 3D structures without any manual interpretation, provided chemical shifts are assigned in most atoms and sufficient NOE peaks exist. Along with these advances, the necessity of determining complicated structures such as complexes is increasing

  7. Development and application of a free energy force field for all atom protein folding

    International Nuclear Information System (INIS)

    Verma, A.

    2007-11-01

    Proteins are the workhorses of all cellular life. They constitute the building blocks and the machinery of all cells and typically function in specific three-dimensional conformations into which each protein folds. Currently over one million protein sequences are known, compared to about 40,000 structures deposited in the Protein Data Bank (the world-wide database of protein structures). Reliable theoretical methods for protein structure prediction could help to reduce the gap between sequence and structural databases and elucidate the biological information in structurally unresolved sequences. In this thesis we explore an approach for protein structure prediction and folding that is based on the Anfinsen's hypothesis that most proteins in their native state are in thermodynamic equilibrium with their environment. We have developed a free energy forcefield (PFF02) that locates the native conformation of many proteins from all structural classes at the global minimum of the free-energy model. We have validated the forcefield against a large decoy set (Rosetta). The average root mean square deviation (RMSD) for the lowest energy structure for the 32 proteins of the decoy set was only 2.14 Aa from the experimental conformation. We have successfully implemented and used stochastic optimization methods, such as the basin hopping technique and evolutionary algorithms for all atom protein structure prediction. The evolutionary algorithm performs exceptionally well on large supercomputational architectures, such as BlueGene and MareNostrum. Using the PFF02 forcefield, we were able to fold 13 proteins (12-56 amino acids), which include helix, sheet and mixed secondary structure. On average the predicted structure of these proteins deviated from their experimental conformation by only 2.89 Aa RMSD. (orig.)

  8. Beyond Modeling: All-Atom Olfactory Receptor Model Simulations

    Directory of Open Access Journals (Sweden)

    Peter C Lai

    2012-05-01

    Full Text Available Olfactory receptors (ORs are a type of GTP-binding protein-coupled receptor (GPCR. These receptors are responsible for mediating the sense of smell through their interaction with odor ligands. OR-odorant interactions marks the first step in the process that leads to olfaction. Computational studies on model OR structures can validate experimental functional studies as well as generate focused and novel hypotheses for further bench investigation by providing a view of these interactions at the molecular level. Here we have shown the specific advantages of simulating the dynamic environment that is associated with OR-odorant interactions. We present a rigorous methodology that ranges from the creation of a computationally-derived model of an olfactory receptor to simulating the interactions between an OR and an odorant molecule. Given the ubiquitous occurrence of GPCRs in the membranes of cells, we anticipate that our OR-developed methodology will serve as a model for the computational structural biology of all GPCRs.

  9. Structural system identification: Structural dynamics model validation

    Energy Technology Data Exchange (ETDEWEB)

    Red-Horse, J.R.

    1997-04-01

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  10. Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.

    Directory of Open Access Journals (Sweden)

    Kei Moritsugu

    2014-10-01

    Full Text Available Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape.

  11. Explicit all-atom modeling of realistically sized ligand-capped nanocrystals

    KAUST Repository

    Kaushik, Ananth P.; Clancy, Paulette

    2012-01-01

    We present a study of an explicit all-atom representation of nanocrystals of experimentally relevant sizes (up to 6 nm), capped with alkyl chain ligands, in vacuum. We employ all-atom molecular dynamics simulation methods in concert with a well

  12. Structural Validation of the Holistic Wellness Assessment

    Science.gov (United States)

    Brown, Charlene; Applegate, E. Brooks; Yildiz, Mustafa

    2015-01-01

    The Holistic Wellness Assessment (HWA) is a relatively new assessment instrument based on an emergent transdisciplinary model of wellness. This study validated the factor structure identified via exploratory factor analysis (EFA), assessed test-retest reliability, and investigated concurrent validity of the HWA in three separate samples. The…

  13. Multiscale approach for the construction of equilibrated all-atom models of a poly(ethylene glycol)-based hydrogel

    Science.gov (United States)

    Li, Xianfeng; Murthy, N. Sanjeeva; Becker, Matthew L.; Latour, Robert A.

    2016-01-01

    A multiscale modeling approach is presented for the efficient construction of an equilibrated all-atom model of a cross-linked poly(ethylene glycol) (PEG)-based hydrogel using the all-atom polymer consistent force field (PCFF). The final equilibrated all-atom model was built with a systematic simulation toolset consisting of three consecutive parts: (1) building a global cross-linked PEG-chain network at experimentally determined cross-link density using an on-lattice Monte Carlo method based on the bond fluctuation model, (2) recovering the local molecular structure of the network by transitioning from the lattice model to an off-lattice coarse-grained (CG) model parameterized from PCFF, followed by equilibration using high performance molecular dynamics methods, and (3) recovering the atomistic structure of the network by reverse mapping from the equilibrated CG structure, hydrating the structure with explicitly represented water, followed by final equilibration using PCFF parameterization. The developed three-stage modeling approach has application to a wide range of other complex macromolecular hydrogel systems, including the integration of peptide, protein, and/or drug molecules as side-chains within the hydrogel network for the incorporation of bioactivity for tissue engineering, regenerative medicine, and drug delivery applications. PMID:27013229

  14. Examining the origins of the hydration force between lipid bilayers using all-atom simulations.

    Science.gov (United States)

    Gentilcore, Anastasia N; Michaud-Agrawal, Naveen; Crozier, Paul S; Stevens, Mark J; Woolf, Thomas B

    2010-05-01

    Using 237 all-atom double bilayer simulations, we examined the thermodynamic and structural changes that occur as a phosphatidylcholine lipid bilayer stack is dehydrated. The simulated system represents a micropatch of lipid multilayer systems that are studied experimentally using surface force apparatus, atomic force microscopy and osmotic pressure studies. In these experiments, the hydration level of the system is varied, changing the separation between the bilayers, in order to understand the forces that the bilayers feel as they are brought together. These studies have found a curious, strongly repulsive force when the bilayers are very close to each other, which has been termed the "hydration force," though the origins of this force are not clearly understood. We computationally reproduce this repulsive, relatively free energy change as bilayers come together and make qualitative conclusions as to the enthalpic and entropic origins of the free energy change. This analysis is supported by data showing structural changes in the waters, lipids and salts that have also been seen in experimental work. Increases in solvent ordering as the bilayers are dehydrated are found to be essential in causing the repulsion as the bilayers come together.

  15. Validation-driven protein-structure improvement

    NARCIS (Netherlands)

    Touw, W.G.

    2016-01-01

    High-quality protein structure models are essential for many Life Science applications, such as protein engineering, molecular dynamics, drug design, and homology modelling. The WHAT_CHECK model validation project and the PDB_REDO model optimisation project have shown that many structure models in

  16. Feature Extraction for Structural Dynamics Model Validation

    Energy Technology Data Exchange (ETDEWEB)

    Farrar, Charles [Los Alamos National Laboratory; Nishio, Mayuko [Yokohama University; Hemez, Francois [Los Alamos National Laboratory; Stull, Chris [Los Alamos National Laboratory; Park, Gyuhae [Chonnam Univesity; Cornwell, Phil [Rose-Hulman Institute of Technology; Figueiredo, Eloi [Universidade Lusófona; Luscher, D. J. [Los Alamos National Laboratory; Worden, Keith [University of Sheffield

    2016-01-13

    As structural dynamics becomes increasingly non-modal, stochastic and nonlinear, finite element model-updating technology must adopt the broader notions of model validation and uncertainty quantification. For example, particular re-sampling procedures must be implemented to propagate uncertainty through a forward calculation, and non-modal features must be defined to analyze nonlinear data sets. The latter topic is the focus of this report, but first, some more general comments regarding the concept of model validation will be discussed.

  17. All-Atom Molecular Dynamics Simulation of Protein Translocation through an α-Hemolysin Nanopore

    KAUST Repository

    Di Marino, Daniele

    2015-08-06

    © 2015 American Chemical Society. Nanopore sensing is attracting the attention of a large and varied scientific community. One of the main issues in nanopore sensing is how to associate the measured current signals to specific features of the molecule under investigation. This is particularly relevant when the translocating molecule is a protein and the pore is sufficiently narrow to necessarily involve unfolding of the translocating protein. Recent experimental results characterized the cotranslocational unfolding of Thioredoxin (Trx) passing through an α-hemolisin pore, providing evidence for the existence of a multistep process. In this study we report the results of all-atom molecular dynamics simulations of the same system. Our data indicate that Trx translocation involves two main barriers. The first one is an unfolding barrier associated with a translocation intermediate where the N-terminal region of Trx is stuck at the pore entrance in a conformation that strongly resembles the native one. After the abrupt unfolding of the N-terminal region, the Trx enters the α-hemolisin vestibule. During this stage, the constriction is occupied not only by the translocating residue but also by a hairpin-like structure forming a tangle in the constriction. The second barrier is associated with the disentangling of this region.

  18. All-Atom Molecular Dynamics Simulation of Protein Translocation through an α-Hemolysin Nanopore

    KAUST Repository

    Di Marino, Daniele; Bonome, Emma Letizia; Tramontano, Anna; Chinappi, Mauro

    2015-01-01

    © 2015 American Chemical Society. Nanopore sensing is attracting the attention of a large and varied scientific community. One of the main issues in nanopore sensing is how to associate the measured current signals to specific features of the molecule under investigation. This is particularly relevant when the translocating molecule is a protein and the pore is sufficiently narrow to necessarily involve unfolding of the translocating protein. Recent experimental results characterized the cotranslocational unfolding of Thioredoxin (Trx) passing through an α-hemolisin pore, providing evidence for the existence of a multistep process. In this study we report the results of all-atom molecular dynamics simulations of the same system. Our data indicate that Trx translocation involves two main barriers. The first one is an unfolding barrier associated with a translocation intermediate where the N-terminal region of Trx is stuck at the pore entrance in a conformation that strongly resembles the native one. After the abrupt unfolding of the N-terminal region, the Trx enters the α-hemolisin vestibule. During this stage, the constriction is occupied not only by the translocating residue but also by a hairpin-like structure forming a tangle in the constriction. The second barrier is associated with the disentangling of this region.

  19. Explicit all-atom modeling of realistically sized ligand-capped nanocrystals

    KAUST Repository

    Kaushik, Ananth P.

    2012-01-01

    We present a study of an explicit all-atom representation of nanocrystals of experimentally relevant sizes (up to 6 nm), capped with alkyl chain ligands, in vacuum. We employ all-atom molecular dynamics simulation methods in concert with a well-tested intermolecular potential model, MM3 (molecular mechanics 3), for the studies presented here. These studies include determining the preferred conformation of an isolated single nanocrystal (NC), pairs of isolated NCs, and (presaging studies of superlattice arrays) unit cells of NC superlattices. We observe that very small NCs (3 nm) behave differently in a superlattice as compared to larger NCs (6 nm and above) due to the conformations adopted by the capping ligands on the NC surface. Short ligands adopt a uniform distribution of orientational preferences, including some that lie against the face of the nanocrystal. In contrast, longer ligands prefer to interdigitate. We also study the effect of changing ligand length and ligand coverage on the NCs on the preferred ligand configurations. Since explicit all-atom modeling constrains the maximum system size that can be studied, we discuss issues related to coarse-graining the representation of the ligands, including a comparison of two commonly used coarse-grained models. We find that care has to be exercised in the choice of coarse-grained model. The data provided by these realistically sized ligand-capped NCs, determined using explicit all-atom models, should serve as a reference standard for future models of coarse-graining ligands using united atom models, especially for self-assembly processes. © 2012 American Institute of Physics.

  20. A coarse-graining approach for molecular simulation that retains the dynamics of the all-atom reference system by implementing hydrodynamic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Markutsya, Sergiy [Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States); Lamm, Monica H., E-mail: mhlamm@iastate.edu [Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States); Department of Chemical and Biological Engineering, Iowa State University, Ames, Iowa 50011 (United States)

    2014-11-07

    We report on a new approach for deriving coarse-grained intermolecular forces that retains the frictional contribution that is often discarded by conventional coarse-graining methods. The approach is tested for water and an aqueous glucose solution, and the results from the new implementation for coarse-grained molecular dynamics simulation show remarkable agreement with the dynamics obtained from reference all-atom simulations. The agreement between the structural properties observed in the coarse-grained and all-atom simulations is also preserved. We discuss how this approach may be applied broadly to any existing coarse-graining method where the coarse-grained models are rigorously derived from all-atom reference systems.

  1. A coarse-graining approach for molecular simulation that retains the dynamics of the all-atom reference system by implementing hydrodynamic interactions

    International Nuclear Information System (INIS)

    Markutsya, Sergiy; Lamm, Monica H.

    2014-01-01

    We report on a new approach for deriving coarse-grained intermolecular forces that retains the frictional contribution that is often discarded by conventional coarse-graining methods. The approach is tested for water and an aqueous glucose solution, and the results from the new implementation for coarse-grained molecular dynamics simulation show remarkable agreement with the dynamics obtained from reference all-atom simulations. The agreement between the structural properties observed in the coarse-grained and all-atom simulations is also preserved. We discuss how this approach may be applied broadly to any existing coarse-graining method where the coarse-grained models are rigorously derived from all-atom reference systems

  2. Complete all-atom hydrodynamics of protein unfolding in uniform flow

    International Nuclear Information System (INIS)

    Wang, Guan M; Sandberg, William C

    2010-01-01

    The unfolding dynamics of a protein, ubiquitin, pinned in several uniform flows, was studied at low and high flow rates in an all-atom style through a non-equilibrium molecular dynamics approach with explicit water molecules included. Atomic hydrodynamic force components on individual amino acids, as a function of time, due to the collisional interactions with the flowing water molecules were calculated explicitly. The protein conformational change in response to those time-varying forces was computed completely at the high flow rate up to nanosecond until the fully stretched state was reached. The end-to-end length of the single ubiquitin protein molecule at high flow rate is smoothly increasing. The step-like jumps between metastable states that describe the μm ms -1 scale force pulling experiments conducted on polyubiquitins at low flow rates, are not seen at the high flow speeds necessary to computationally probe the ns nm -1 scale regime. No unfolding was observed in the low flow rate atomic computations at nanosecond scale while partial and complete unfolding was observed in the coarse-grained low flow rate computations at microsecond scale. Examination of the all-atom computation of the time variation of the hydrodynamic forces on, and the velocity components of, the protein molecule unveiled to some extent the details of the complexity of the hydrodynamic friction variation in the nm ns -1 regime of high rate flow-driven protein unfolding. This demonstrates quantitatively that all-atom computations are more suitable than the Langevin equation or Brownian dynamics methods for probing the interaction dynamics and resulting conformational dynamics of protein unfolding in strong flows on nm ns -1 time/length scales while the reverse is true for investigation of slow, diffusively driven systems.

  3. Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study

    Science.gov (United States)

    Man, Viet Hoang; Li, Mai Suan; Derreumaux, Philippe; Nguyen, Phuong H.

    2018-03-01

    The Rayleigh-Plesset (RP) equation was derived from the first principles to describe the bubble cavitation in liquids in terms of macroscopic hydrodynamics. A number of nonequilibrium molecular dynamics studies have been carried out to validate this equation in describing the bubble inertial cavitation, but their results are contradictory and the applicability of the RP equation still remains to be examined, especially for the stable cavitation. In this work, we carry out nonequilibrium all-atom simulation to validate the applicability of the RP equation in the description of the stable cavitation of nano-sized bubbles in water. We show that although microscopic effects are not explicitly included, this equation still describes the dynamics of subnano-bubbles quite well as long as the contributions of various terms including inertial, surface tension, and viscosity are correctly taken into account. These terms are directly and inversely proportional to the amplitude and period of the cavitation, respectively. Thus, their contributions to the RP equation depend on these two parameters. This may explain the discrepancy between the current results obtained using different parameters. Finally, the accuracy of the RP equation in the current mathematical modeling studies of the ultrasound-induced blood-brain-barrier experiments is discussed in some detail.

  4. Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.

    Science.gov (United States)

    Shen, Lin; Yang, Weitao

    2016-04-12

    We developed a new multiresolution method that spans three levels of resolution with quantum mechanical, atomistic molecular mechanical, and coarse-grained models. The resolution-adapted all-atom and coarse-grained water model, in which an all-atom structural description of the entire system is maintained during the simulations, is combined with the ab initio quantum mechanics and molecular mechanics method. We apply this model to calculate the redox potentials of the aqueous ruthenium and iron complexes by using the fractional number of electrons approach and thermodynamic integration simulations. The redox potentials are recovered in excellent accordance with the experimental data. The speed-up of the hybrid all-atom and coarse-grained water model renders it computationally more attractive. The accuracy depends on the hybrid all-atom and coarse-grained water model used in the combined quantum mechanical and molecular mechanical method. We have used another multiresolution model, in which an atomic-level layer of water molecules around redox center is solvated in supramolecular coarse-grained waters for the redox potential calculations. Compared with the experimental data, this alternative multilayer model leads to less accurate results when used with the coarse-grained polarizable MARTINI water or big multipole water model for the coarse-grained layer.

  5. All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution

    Energy Technology Data Exchange (ETDEWEB)

    Andoh, Y.; Yoshii, N.; Yamada, A.; Kojima, H.; Mizutani, K.; Okazaki, S., E-mail: okazaki@apchem.nagoya-u.ac.jp [Department of Applied Chemistry, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Fujimoto, K. [Department of Pharmacy, College of Pharmaceutical Sciences, Ritsumeikan University, Nojihigashi, Kusatsu, Shiga 525-8577 (Japan); Nakagawa, A. [Institute for Protein Research, Osaka University, Yamadaoka, Suita, Osaka 565-0871 (Japan); Nomoto, A. [Institute of Microbial Chemistry, Kamiosaki, Shinagawa-ku, Tokyo 141-0021 (Japan)

    2014-10-28

    Small viruses that belong, for example, to the Picornaviridae, such as poliovirus and foot-and-mouth disease virus, consist simply of capsid proteins and a single-stranded RNA (ssRNA) genome. The capsids are quite stable in solution to protect the genome from the environment. Here, based on long-time and large-scale 6.5 × 10{sup 6} all-atom molecular dynamics calculations for the Mahoney strain of poliovirus, we show microscopic properties of the viral capsids at a molecular level. First, we found equilibrium rapid exchange of water molecules across the capsid. The exchange rate is so high that all water molecules inside the capsid (about 200 000) can leave the capsid and be replaced by water molecules from the outside in about 25 μs. This explains the capsid's tolerance to high pressures and deactivation by exsiccation. In contrast, the capsid did not exchange ions, at least within the present simulation time of 200 ns. This implies that the capsid can function, in principle, as a semipermeable membrane. We also found that, similar to the xylem of trees, the pressure of the solution inside the capsid without the genome was negative. This is caused by coulombic interaction of the solution inside the capsid with the capsid excess charges. The negative pressure may be compensated by positive osmotic pressure by the solution-soluble ssRNA and the counter ions introduced into it.

  6. All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution

    Science.gov (United States)

    Andoh, Y.; Yoshii, N.; Yamada, A.; Fujimoto, K.; Kojima, H.; Mizutani, K.; Nakagawa, A.; Nomoto, A.; Okazaki, S.

    2014-10-01

    Small viruses that belong, for example, to the Picornaviridae, such as poliovirus and foot-and-mouth disease virus, consist simply of capsid proteins and a single-stranded RNA (ssRNA) genome. The capsids are quite stable in solution to protect the genome from the environment. Here, based on long-time and large-scale 6.5 × 106 all-atom molecular dynamics calculations for the Mahoney strain of poliovirus, we show microscopic properties of the viral capsids at a molecular level. First, we found equilibrium rapid exchange of water molecules across the capsid. The exchange rate is so high that all water molecules inside the capsid (about 200 000) can leave the capsid and be replaced by water molecules from the outside in about 25 μs. This explains the capsid's tolerance to high pressures and deactivation by exsiccation. In contrast, the capsid did not exchange ions, at least within the present simulation time of 200 ns. This implies that the capsid can function, in principle, as a semipermeable membrane. We also found that, similar to the xylem of trees, the pressure of the solution inside the capsid without the genome was negative. This is caused by coulombic interaction of the solution inside the capsid with the capsid excess charges. The negative pressure may be compensated by positive osmotic pressure by the solution-soluble ssRNA and the counter ions introduced into it.

  7. All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution

    International Nuclear Information System (INIS)

    Andoh, Y.; Yoshii, N.; Yamada, A.; Kojima, H.; Mizutani, K.; Okazaki, S.; Fujimoto, K.; Nakagawa, A.; Nomoto, A.

    2014-01-01

    Small viruses that belong, for example, to the Picornaviridae, such as poliovirus and foot-and-mouth disease virus, consist simply of capsid proteins and a single-stranded RNA (ssRNA) genome. The capsids are quite stable in solution to protect the genome from the environment. Here, based on long-time and large-scale 6.5 × 10 6 all-atom molecular dynamics calculations for the Mahoney strain of poliovirus, we show microscopic properties of the viral capsids at a molecular level. First, we found equilibrium rapid exchange of water molecules across the capsid. The exchange rate is so high that all water molecules inside the capsid (about 200 000) can leave the capsid and be replaced by water molecules from the outside in about 25 μs. This explains the capsid's tolerance to high pressures and deactivation by exsiccation. In contrast, the capsid did not exchange ions, at least within the present simulation time of 200 ns. This implies that the capsid can function, in principle, as a semipermeable membrane. We also found that, similar to the xylem of trees, the pressure of the solution inside the capsid without the genome was negative. This is caused by coulombic interaction of the solution inside the capsid with the capsid excess charges. The negative pressure may be compensated by positive osmotic pressure by the solution-soluble ssRNA and the counter ions introduced into it

  8. Accelerating all-atom MD simulations of lipids using a modified virtual-sites technique

    DEFF Research Database (Denmark)

    Loubet, Bastien; Kopec, Wojciech; Khandelia, Himanshu

    2014-01-01

    We present two new implementations of the virtual sites technique which completely suppresses the degrees of freedom of the hydrogen atoms in a lipid bilayer allowing for an increased time step of 5 fs in all-atom simulations of the CHARMM36 force field. One of our approaches uses the derivation...... of the virtual sites used in GROMACS while the other uses a new definition of the virtual sites of the CH2 groups. Our methods is tested on a DPPC (no unsaturated chain), a POPC (one unsaturated chain), and a DOPC (two unsaturated chains) lipid bilayers. We calculate various physical properties of the membrane...... of our simulations with and without virtual sites and explain the differences and similarity observed. The best agreements are obtained for the GROMACS original virtual sites on the DOPC bilayer where we get an area per lipid of 67.3 ± 0.3 A˚2 without virtual sites and 67.6 ± 0.3 A˚2 with virtual sites...

  9. Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom models

    Energy Technology Data Exchange (ETDEWEB)

    Kouza, Maksim, E-mail: mkouza@chem.uw.edu.pl; Kolinski, Andrzej [Faculty of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszaw (Poland); Co, Nguyen Truong [Department of Physics, Institute of Technology, National University of HCM City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City (Viet Nam); Institute for Computational Science and Technology, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City (Viet Nam); Nguyen, Phuong H. [Laboratoire de Biochimie Theorique, UPR 9080 CNRS, IBPC, Universite Paris 7, 13 rue Pierre et Marie Curie, 75005 Paris (France); Li, Mai Suan, E-mail: masli@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw (Poland)

    2015-04-14

    Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer’s and Parkinson’s diseases. Despite the fact that the fibril formation process is very slow and thus poses a significant challenge for theoretical and experimental studies, a number of alternative pictures of molecular mechanisms of amyloid fibril formation have been recently proposed. What seems to be common for the majority of the proposed models is that fibril elongation involves the formation of pre-nucleus seeds prior to the creation of a critical nucleus. Once the size of the pre-nucleus seed reaches the critical nucleus size, its thermal fluctuations are expected to be small and the resulting nucleus provides a template for sequential (one-by-one) accommodation of added monomers. The effect of template fluctuations on fibril formation rates has not been explored either experimentally or theoretically so far. In this paper, we make the first attempt at solving this problem by two sets of simulations. To mimic small template fluctuations, in one set, monomers of the preformed template are kept fixed, while in the other set they are allowed to fluctuate. The kinetics of addition of a new peptide onto the template is explored using all-atom simulations with explicit water and the GROMOS96 43a1 force field and simple lattice models. Our result demonstrates that preformed template fluctuations can modulate protein aggregation rates and pathways. The association of a nascent monomer with the template obeys the kinetics partitioning mechanism where the intermediate state occurs in a fraction of routes to the protofibril. It was shown that template immobility greatly increases the time of incorporating a new peptide into the preformed template compared to the fluctuating template case. This observation has also been confirmed by simulation using lattice models and may be invoked to understand the role of template fluctuations in

  10. Extending the validity of the Feeding Practices and Structure Questionnaire

    OpenAIRE

    Jansen, Elena; Mallan, Kimberley M.; Daniels, Lynne A.

    2015-01-01

    Background Feeding practices are commonly examined as potentially modifiable determinants of children?s eating behaviours and weight status. Although a variety of questionnaires exist to assess different feeding aspects, many lack thorough reliability and validity testing. The Feeding Practices and Structure Questionnaire (FPSQ) is a tool designed to measure early feeding practices related to non-responsive feeding and structure of the meal environment. Face validity, factorial validity, inte...

  11. Validation of Structures in the Protein Data Bank.

    Science.gov (United States)

    Gore, Swanand; Sanz García, Eduardo; Hendrickx, Pieter M S; Gutmanas, Aleksandras; Westbrook, John D; Yang, Huanwang; Feng, Zukang; Baskaran, Kumaran; Berrisford, John M; Hudson, Brian P; Ikegawa, Yasuyo; Kobayashi, Naohiro; Lawson, Catherine L; Mading, Steve; Mak, Lora; Mukhopadhyay, Abhik; Oldfield, Thomas J; Patwardhan, Ardan; Peisach, Ezra; Sahni, Gaurav; Sekharan, Monica R; Sen, Sanchayita; Shao, Chenghua; Smart, Oliver S; Ulrich, Eldon L; Yamashita, Reiko; Quesada, Martha; Young, Jasmine Y; Nakamura, Haruki; Markley, John L; Berman, Helen M; Burley, Stephen K; Velankar, Sameer; Kleywegt, Gerard J

    2017-12-05

    The Worldwide PDB recently launched a deposition, biocuration, and validation tool: OneDep. At various stages of OneDep data processing, validation reports for three-dimensional structures of biological macromolecules are produced. These reports are based on recommendations of expert task forces representing crystallography, nuclear magnetic resonance, and cryoelectron microscopy communities. The reports provide useful metrics with which depositors can evaluate the quality of the experimental data, the structural model, and the fit between them. The validation module is also available as a stand-alone web server and as a programmatically accessible web service. A growing number of journals require the official wwPDB validation reports (produced at biocuration) to accompany manuscripts describing macromolecular structures. Upon public release of the structure, the validation report becomes part of the public PDB archive. Geometric quality scores for proteins in the PDB archive have improved over the past decade. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  12. What makes a crystal structure report valid?

    NARCIS (Netherlands)

    Spek, Anthony L.|info:eu-repo/dai/nl/156517566

    2018-01-01

    Single crystal X-ray crystallography has developed into a unique, highly automated and accessible tool to obtain detailed information on molecular structures. Proper archival makes that referees, readers and users of the results of reported crystal structures no longer need to depend solely on the

  13. Validation of seismic soil-structure interaction

    International Nuclear Information System (INIS)

    Finn, Liam W.D.; Ledbetter, R.H.; Beratan, L.L.

    1988-01-01

    Simulated earthquake tests were conducted on centrifuged model structures embedded in dry and saturated sand foundations. Accelerations and pore water pressures were recorded at many locations during the test. Model responses were analyzed using the program TARA-3 which incorporates a procedure for nonlinear dynamic effective stress analysis. Computed and measured responses agreed quite closely. (author)

  14. Validation of seismic soil-structure interaction

    Energy Technology Data Exchange (ETDEWEB)

    Finn, Liam W.D. [Department of Civil Engineering, University of British Columbia, Vancouver (Canada); Ledbetter, R H [USAE Waterways Experiment Station, Vicksburg (United States); Beratan, L L [U.S. Nuclear Regulatory Commission, Office of Research, Washington, DC (United States)

    1988-07-01

    Simulated earthquake tests were conducted on centrifuged model structures embedded in dry and saturated sand foundations. Accelerations and pore water pressures were recorded at many locations during the test. Model responses were analyzed using the program TARA-3 which incorporates a procedure for nonlinear dynamic effective stress analysis. Computed and measured responses agreed quite closely. (author)

  15. Validity and factor structure of the bodybuilding dependence scale

    OpenAIRE

    Smith, D; Hale, B

    2004-01-01

    Objectives: To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders.

  16. Probing the folded state and mechanical unfolding pathways of T4 lysozyme using all-atom and coarse-grained molecular simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Wenjun, E-mail: wjzheng@buffalo.edu; Glenn, Paul [Department of Physics, University at Buffalo, Buffalo, New York 14260 (United States)

    2015-01-21

    The Bacteriophage T4 Lysozyme (T4L) is a prototype modular protein comprised of an N-terminal and a C-domain domain, which was extensively studied to understand the folding/unfolding mechanism of modular proteins. To offer detailed structural and dynamic insights to the folded-state stability and the mechanical unfolding behaviors of T4L, we have performed extensive equilibrium and steered molecular dynamics simulations of both the wild-type (WT) and a circular permutation (CP) variant of T4L using all-atom and coarse-grained force fields. Our all-atom and coarse-grained simulations of the folded state have consistently found greater stability of the C-domain than the N-domain in isolation, which is in agreement with past thermostatic studies of T4L. While the all-atom simulation cannot fully explain the mechanical unfolding behaviors of the WT and the CP variant observed in an optical tweezers study, the coarse-grained simulations based on the Go model or a modified elastic network model (mENM) are in qualitative agreement with the experimental finding of greater unfolding cooperativity in the WT than the CP variant. Interestingly, the two coarse-grained models predict different structural mechanisms for the observed change in cooperativity between the WT and the CP variant—while the Go model predicts minor modification of the unfolding pathways by circular permutation (i.e., preserving the general order that the N-domain unfolds before the C-domain), the mENM predicts a dramatic change in unfolding pathways (e.g., different order of N/C-domain unfolding in the WT and the CP variant). Based on our simulations, we have analyzed the limitations of and the key differences between these models and offered testable predictions for future experiments to resolve the structural mechanism for cooperative folding/unfolding of T4L.

  17. Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration

    DEFF Research Database (Denmark)

    Maciejewski, A.; Pasenkiewicz-Gierula, M.; Cramariuc, O.

    2014-01-01

    validation, and it is also one of the highly important and abundant lipid types, e.g., in lung surfactant. Overall, PCs have not been previously parametrized in the OPLS-AA force field; thus, there is a need to derive its bonding and nonbonding parameters for both the polar and nonpolar parts of the molecule....... In the present study, we determined the parameters for torsion angles in the phosphatidylcholine and glycerol moieties and in the acyl chains, as well the partial atomic charges. In these calculations, we used three methods: (1) Hartree-Fock (HF), (2) second order Moller-Plesset perturbation theory (MP2), and (3...... one was found to be able to satisfactorily reproduce experimental data for the lipid bilayer. The successful DPPC model was obtained from MP2 calculations in an implicit polar environment (PCM)....

  18. Hierarchical atom type definitions and extensible all-atom force fields.

    Science.gov (United States)

    Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai

    2016-03-15

    The extensibility of force field is a key to solve the missing parameter problem commonly found in force field applications. The extensibility of conventional force fields is traditionally managed in the parameterization procedure, which becomes impractical as the coverage of the force field increases above a threshold. A hierarchical atom-type definition (HAD) scheme is proposed to make extensible atom type definitions, which ensures that the force field developed based on the definitions are extensible. To demonstrate how HAD works and to prepare a foundation for future developments, two general force fields based on AMBER and DFF functional forms are parameterized for common organic molecules. The force field parameters are derived from the same set of quantum mechanical data and experimental liquid data using an automated parameterization tool, and validated by calculating molecular and liquid properties. The hydration free energies are calculated successfully by introducing a polarization scaling factor to the dispersion term between the solvent and solute molecules. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  19. An all-atom, active site exploration of antiviral drugs that target Flaviviridae polymerases

    Czech Academy of Sciences Publication Activity Database

    Valdés, James J.; Gil, V.A.; Butterill, Philip T.; Růžek, Daniel

    2016-01-01

    Roč. 97, OCT (2016), s. 2552-2565 ISSN 0022-1317 R&D Projects: GA MŠk(CZ) EE2.3.30.0032; GA ČR GB14-36098G; GA MZd(CZ) NV16-34238A EU Projects: European Commission(XE) 316304 - MODBIOLIN Institutional support: RVO:60077344 Keywords : dependent RNA-polymerase * c virus polymerase * de-novo initiation * hepatitis C * allosteric inhibitors * nucleoside inhibitors * molecular dynamics * encephalitis virus * protein-structure * cluster-analysis Subject RIV: EE - Microbiology, Virology Impact factor: 2.838, year: 2016

  20. Protein folding simulations: from coarse-grained model to all-atom model.

    Science.gov (United States)

    Zhang, Jian; Li, Wenfei; Wang, Jun; Qin, Meng; Wu, Lei; Yan, Zhiqiang; Xu, Weixin; Zuo, Guanghong; Wang, Wei

    2009-06-01

    Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions such as the minimal number of amino acid or the evolution principle of protein families. Nowadays, the MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, amyloid related aggregations, and structure and motion of chaperons, motors, channels and virus capsides; the second trend is toward building high resolution models and explore more detailed and accurate pictures of protein folding and the associated processes, such as the coordination bond or disulfide bond involved folding, the polarization, charge transfer and protonate/deprotonate process involved in metal coupled folding, and the ion permeation and its coupling with the kinetics of channels. On these new territories, MD simulations have given many promising results and will continue to offer exciting views. Here, we review several new subjects investigated by using MD simulations as well as the corresponding developments of appropriate protein models. These include but are not limited to the attempt to go beyond the topology based Gō-like model and characterize the energetic factors in protein structures and dynamics, the study of the thermodynamics and kinetics of disulfide bond involved protein folding, the modeling of the interactions between chaperonin and the encapsulated protein and the protein folding under this circumstance, the effort to clarify the important yet still elusive folding mechanism of protein BBL

  1. Analysis and validation of carbohydrate three-dimensional structures

    International Nuclear Information System (INIS)

    Lütteke, Thomas

    2009-01-01

    The article summarizes the information that is gained from and the errors that are found in carbohydrate structures in the Protein Data Bank. Validation tools that can locate these errors are described. Knowledge of the three-dimensional structures of the carbohydrate molecules is indispensable for a full understanding of the molecular processes in which carbohydrates are involved, such as protein glycosylation or protein–carbohydrate interactions. The Protein Data Bank (PDB) is a valuable resource for three-dimensional structural information on glycoproteins and protein–carbohydrate complexes. Unfortunately, many carbohydrate moieties in the PDB contain inconsistencies or errors. This article gives an overview of the information that can be obtained from individual PDB entries and from statistical analyses of sets of three-dimensional structures, of typical problems that arise during the analysis of carbohydrate three-dimensional structures and of the validation tools that are currently available to scientists to evaluate the quality of these structures

  2. The Structure and Validity of the Multidimensional Social Support Questionnaire

    Science.gov (United States)

    Hardesty, Patrick H.; Richardson, George B.

    2012-01-01

    The factor structure and concurrent validity of the Multidimensional Social Support Questionnaire, a brief measure of perceived social support for use with adolescents, was examined. Findings suggest that four dimensions of perceived social support may yield more information than assessments of the unitary construct of support. (Contains 8 tables…

  3. Extending the validity of the Feeding Practices and Structure Questionnaire.

    Science.gov (United States)

    Jansen, Elena; Mallan, Kimberley M; Daniels, Lynne A

    2015-06-30

    Feeding practices are commonly examined as potentially modifiable determinants of children's eating behaviours and weight status. Although a variety of questionnaires exist to assess different feeding aspects, many lack thorough reliability and validity testing. The Feeding Practices and Structure Questionnaire (FPSQ) is a tool designed to measure early feeding practices related to non-responsive feeding and structure of the meal environment. Face validity, factorial validity, internal reliability and cross-sectional correlations with children's eating behaviours have been established in mothers with 2-year-old children. The aim of the present study was to further extend the validity of the FPSQ by examining factorial, construct and predictive validity, and stability. Participants were from the NOURISH randomised controlled trial which evaluated an intervention with first-time mothers designed to promote protective feeding practices. Maternal feeding practices (FP) and child eating behaviours were assessed when children were aged 2 years and 3.7 years (n = 388). Confirmatory Factor analysis, group differences, predictive relationships, and stability were tested. The original 9-factor structure was confirmed when children were aged 3.7 ± 0.3 years. Cronbach's alpha was above the recommended 0.70 cut-off for all factors except Structured Meal Timing, Over Restriction and Distrust in Appetite which were 0.58, 0.67 and 0.66 respectively. Allocated group differences reflected behaviour consistent with intervention content and all feeding practices were stable across both time points (range of r = 0.45-0.70). There was some evidence for the predictive validity of factors with 2 FP showing expected relationships, 2 FP showing expected and unexpected relationships and 5 FP showing no relationship. Reliability and validity was demonstrated for most subscales of the FPSQ. Future validation is warranted with culturally diverse samples and with fathers and

  4. All-atom simulation study of protein PTH(1-34) by using the Wang-Landau sampling method

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of); Kwak, Woo-Seop [Chosun University, Gwangju (Korea, Republic of)

    2014-12-15

    We perform simulations of the N-terminal 34-residue protein fragment PTH(1-34), consisting of 581 atoms, of the 84-residue human parathyroid hormone by using the all-atom ECEPP/3 force field and the Wang-Landau sampling method. Through a massive high-performance computation, the density of states and the partition function Z(T), as a continuous function of T, are obtained for PTH(1-34). From the continuous partition function Z(T), the partition function zeros of PTH(1-34) are evaluated for the first time. From both the specific heat and the partition function zeros, two characteristic transition temperatures are obtained for the all-atom protein PTH(1-34). The higher transition temperature T{sub 1} and the lower transition temperature T{sub 2} of PTH(1-34) can be interpreted as the collapse temperature T{sub θ} and the folding temperature T{sub f} , respectively.

  5. All-atom normal-mode analysis reveals an RNA-induced allostery in a bacteriophage coat protein.

    Science.gov (United States)

    Dykeman, Eric C; Twarock, Reidun

    2010-03-01

    Assembly of the T=3 bacteriophage MS2 is initiated by the binding of a 19 nucleotide RNA stem loop from within the phage genome to a symmetric coat protein dimer. This binding event effects a folding of the FG loop in one of the protein subunits of the dimer and results in the formation of an asymmetric dimer. Since both the symmetric and asymmetric forms of the dimer are needed for the assembly of the protein container, this allosteric switch plays an important role in the life cycle of the phage. We provide here details of an all-atom normal-mode analysis of this allosteric effect. The results suggest that asymmetric contacts between the A -duplex RNA phosphodiester backbone of the stem loop with the EF loop in one coat protein subunit results in an increased dynamic behavior of its FG loop. The four lowest-frequency modes, which encompass motions predominantly on the FG loops, account for over 90% of the increased dynamic behavior due to a localization of the vibrational pattern on a single FG loop. Finally, we show that an analysis of the allosteric effect using an elastic network model fails to predict this localization effect, highlighting the importance of using an all-atom full force field method for this problem.

  6. The Selective Mutism Questionnaire: Measurement Structure and Validity

    Science.gov (United States)

    Letamendi, Andrea M.; Chavira, Denise A.; Hitchcock, Carla A.; Roesch, Scott C.; Shipon-Blum, Elisa; Stein, Murray B.; Roesch, Scott C.

    2010-01-01

    Objective To evaluate the factor structure, reliability, and validity of the 17-item Selective Mutism Questionnaire. Method Diagnostic interviews were administered via telephone to 102 parents of children identified with selective mutism (SM) and 43 parents of children without SM from varying U.S. geographic regions. Children were between the ages of 3 and 11 inclusive and comprised 58% girls and 42% boys. SM diagnoses were determined using the Anxiety Disorders Interview Schedule for Children - Parent Version (ADIS-C/P); SM severity was assessed using the 17-item Selective Mutism Questionnaire (SMQ); and behavioral and affective symptoms were assessed using the Child Behavior Checklist (CBCL). An exploratory factor analysis (EFA) was conducted to investigate the dimensionality of the SMQ and a modified parallel analysis procedure was used to confirm EFA results. Internal consistency, construct validity, and incremental validity were also examined. Results The EFA yielded a 13-item solution consisting of three factors: a) Social Situations Outside of School, b) School Situations, and c) Home and Family Situations. Internal consistency of SMQ factors and total scale ranged from moderate to high. Convergent and incremental validity were also well supported. Conclusions Measure structure findings are consistent with the 3-factor solution found in a previous psychometric evaluation of the SMQ. Results also suggest that the SMQ provides useful and unique information in the prediction of SM phenomenon beyond other child anxiety measures. PMID:18698268

  7. Reliability, Validity and Factor Structure of Drug Abuse Screening Test

    OpenAIRE

    Sayed Hadi Sayed Alitabar; Mojtaba Habibi; Maryam Falahatpisheh; Musa Arvin

    2016-01-01

    Background and Objective: According to the increasing of substance use in the country, more researches about this phenomenon are necessary. This Study Investigates the Validity, Reliability and Confirmatory Factor Structure of the Drug Abuse Screening test (DAST). Materials and Methods: The Sample Consisted of 381 Patients (143 Women and 238 Men) with a Multi-Stage Cluster Sampling of Areas 2, 6 and 12 of Tehran Were Selected from Each Region, 6 Randomly Selected Drug Rehabilitation Center. T...

  8. Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations.

    Science.gov (United States)

    DeMarco, Kevin R; Bekker, Slava; Clancy, Colleen E; Noskov, Sergei Y; Vorobyov, Igor

    2018-01-01

    Interactions of drug molecules with lipid membranes play crucial role in their accessibility of cellular targets and can be an important predictor of their therapeutic and safety profiles. Very little is known about spatial localization of various drugs in the lipid bilayers, their active form (ionization state) or translocation rates and therefore potency to bind to different sites in membrane proteins. All-atom molecular simulations may help to map drug partitioning kinetics and thermodynamics, thus providing in-depth assessment of drug lipophilicity. As a proof of principle, we evaluated extensively lipid membrane partitioning of d-sotalol, well-known blocker of a cardiac potassium channel K v 11.1 encoded by the hERG gene, with reported substantial proclivity for arrhythmogenesis. We developed the positively charged (cationic) and neutral d-sotalol models, compatible with the biomolecular CHARMM force field, and subjected them to all-atom molecular dynamics (MD) simulations of drug partitioning through hydrated lipid membranes, aiming to elucidate thermodynamics and kinetics of their translocation and thus putative propensities for hydrophobic and aqueous hERG access. We found that only a neutral form of d-sotalol accumulates in the membrane interior and can move across the bilayer within millisecond time scale, and can be relevant to a lipophilic channel access. The computed water-membrane partitioning coefficient for this form is in good agreement with experiment. There is a large energetic barrier for a cationic form of the drug, dominant in water, to cross the membrane, resulting in slow membrane translocation kinetics. However, this form of the drug can be important for an aqueous access pathway through the intracellular gate of hERG. This route will likely occur after a neutral form of a drug crosses the membrane and subsequently re-protonates. Our study serves to demonstrate a first step toward a framework for multi-scale in silico safety pharmacology

  9. Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations

    Directory of Open Access Journals (Sweden)

    Kevin R. DeMarco

    2018-02-01

    Full Text Available Interactions of drug molecules with lipid membranes play crucial role in their accessibility of cellular targets and can be an important predictor of their therapeutic and safety profiles. Very little is known about spatial localization of various drugs in the lipid bilayers, their active form (ionization state or translocation rates and therefore potency to bind to different sites in membrane proteins. All-atom molecular simulations may help to map drug partitioning kinetics and thermodynamics, thus providing in-depth assessment of drug lipophilicity. As a proof of principle, we evaluated extensively lipid membrane partitioning of d-sotalol, well-known blocker of a cardiac potassium channel Kv11.1 encoded by the hERG gene, with reported substantial proclivity for arrhythmogenesis. We developed the positively charged (cationic and neutral d-sotalol models, compatible with the biomolecular CHARMM force field, and subjected them to all-atom molecular dynamics (MD simulations of drug partitioning through hydrated lipid membranes, aiming to elucidate thermodynamics and kinetics of their translocation and thus putative propensities for hydrophobic and aqueous hERG access. We found that only a neutral form of d-sotalol accumulates in the membrane interior and can move across the bilayer within millisecond time scale, and can be relevant to a lipophilic channel access. The computed water-membrane partitioning coefficient for this form is in good agreement with experiment. There is a large energetic barrier for a cationic form of the drug, dominant in water, to cross the membrane, resulting in slow membrane translocation kinetics. However, this form of the drug can be important for an aqueous access pathway through the intracellular gate of hERG. This route will likely occur after a neutral form of a drug crosses the membrane and subsequently re-protonates. Our study serves to demonstrate a first step toward a framework for multi-scale in silico safety

  10. Reliability, Validity and Factor Structure of Drug Abuse Screening Test

    Directory of Open Access Journals (Sweden)

    Sayed Hadi Sayed Alitabar

    2016-05-01

    Full Text Available Background and Objective: According to the increasing of substance use in the country, more researches about this phenomenon are necessary. This Study Investigates the Validity, Reliability and Confirmatory Factor Structure of the Drug Abuse Screening test (DAST. Materials and Methods: The Sample Consisted of 381 Patients (143 Women and 238 Men with a Multi-Stage Cluster Sampling of Areas 2, 6 and 12 of Tehran Were Selected from Each Region, 6 Randomly Selected Drug Rehabilitation Center. The DAST Was Used as Instrument. Divergent & Convergent Validity of this Scale Was Assessed with Problems Assessment for Substance Using Psychiatric Patients (PASUPP and Relapse Prediction Scale (RPS.Results: The DAST after the First Time Factor Structure of Using Confirmatory Factor Analysis Was Confirmed. The DAST Had a Good Internal Consistency (Cranach’s Alpha, and the Reliability of the Test Within a Week, 0.9, 0.8. Also this Scale Had a Positive Correlation with Problems Assessment for Substance Using Psychiatric Patients and Relapse Prediction Scale (P<0.01.Conclusion: The Overall Results Showed that the Drug Abuse Screening Test in Iranian Society Is Valid. It Can Be Said that Self-Report Scale Tool Is Useful for Research Purposes and Addiction.

  11. Comparison and validation of community structures in complex networks

    Science.gov (United States)

    Gustafsson, Mika; Hörnquist, Michael; Lombardi, Anna

    2006-07-01

    The issue of partitioning a network into communities has attracted a great deal of attention recently. Most authors seem to equate this issue with the one of finding the maximum value of the modularity, as defined by Newman. Since the problem formulated this way is believed to be NP-hard, most effort has gone into the construction of search algorithms, and less to the question of other measures of community structures, similarities between various partitionings and the validation with respect to external information. Here we concentrate on a class of computer generated networks and on three well-studied real networks which constitute a bench-mark for network studies; the karate club, the US college football teams and a gene network of yeast. We utilize some standard ways of clustering data (originally not designed for finding community structures in networks) and show that these classical methods sometimes outperform the newer ones. We discuss various measures of the strength of the modular structure, and show by examples features and drawbacks. Further, we compare different partitions by applying some graph-theoretic concepts of distance, which indicate that one of the quality measures of the degree of modularity corresponds quite well with the distance from the true partition. Finally, we introduce a way to validate the partitionings with respect to external data when the nodes are classified but the network structure is unknown. This is here possible since we know everything of the computer generated networks, as well as the historical answer to how the karate club and the football teams are partitioned in reality. The partitioning of the gene network is validated by use of the Gene Ontology database, where we show that a community in general corresponds to a biological process.

  12. Validation of the Dyadic Coping Inventory with Chinese couples: Factorial structure, measurement invariance, and construct validity.

    Science.gov (United States)

    Xu, Feng; Hilpert, Peter; Randall, Ashley K; Li, Qiuping; Bodenmann, Guy

    2016-08-01

    The Dyadic Coping Inventory (DCI, Bodenmann, 2008) assesses how couples support each other when facing individual (e.g., workload) and common (e.g., parenting) stressors. Specifically, the DCI measures partners' perceptions of their own (Self) and their partners' behaviors (Partner) when facing individual stressors, and partners' common coping behaviors when facing common stressors (Common). To date, the DCI has been validated in 6 different languages from individualistic Western cultures; however, because culture can affect interpersonal interactions, it is unknown whether the DCI is a reliable measure of coping behaviors for couples living in collectivistic Eastern cultures. Based on data from 474 Chinese couples (N = 948 individuals), the current study examined the Chinese version of the DCI's factorial structure, measurement invariance (MI), and construct validity of test scores. Using 3 cultural groups (China, Switzerland, and the United States [U.S.]), confirmatory factor analysis revealed a 5-factor structure regarding Self and Partner and a 2-factor structure regarding Common dyadic coping (DC). Results from analyses of MI indicated that the DCI subscales met the criteria for configural, metric, and full/partial scalar invariance across cultures (Chinese-Swiss and Chinese-U.S.) and genders (Chinese men and women). Results further revealed good construct validity of the DCI test scores. In all, the Chinese version of the DCI can be used for measuring Chinese couples' coping behaviors, and is available for cross-cultural studies examining DC behaviors between Western and Eastern cultures. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  13. Cross validation for the classical model of structured expert judgment

    International Nuclear Information System (INIS)

    Colson, Abigail R.; Cooke, Roger M.

    2017-01-01

    We update the 2008 TU Delft structured expert judgment database with data from 33 professionally contracted Classical Model studies conducted between 2006 and March 2015 to evaluate its performance relative to other expert aggregation models. We briefly review alternative mathematical aggregation schemes, including harmonic weighting, before focusing on linear pooling of expert judgments with equal weights and performance-based weights. Performance weighting outperforms equal weighting in all but 1 of the 33 studies in-sample. True out-of-sample validation is rarely possible for Classical Model studies, and cross validation techniques that split calibration questions into a training and test set are used instead. Performance weighting incurs an “out-of-sample penalty” and its statistical accuracy out-of-sample is lower than that of equal weighting. However, as a function of training set size, the statistical accuracy of performance-based combinations reaches 75% of the equal weight value when the training set includes 80% of calibration variables. At this point the training set is sufficiently powerful to resolve differences in individual expert performance. The information of performance-based combinations is double that of equal weighting when the training set is at least 50% of the set of calibration variables. Previous out-of-sample validation work used a Total Out-of-Sample Validity Index based on all splits of the calibration questions into training and test subsets, which is expensive to compute and includes small training sets of dubious value. As an alternative, we propose an Out-of-Sample Validity Index based on averaging the product of statistical accuracy and information over all training sets sized at 80% of the calibration set. Performance weighting outperforms equal weighting on this Out-of-Sample Validity Index in 26 of the 33 post-2006 studies; the probability of 26 or more successes on 33 trials if there were no difference between performance

  14. All-atom molecular dynamics simulations of spin labelled double and single-strand DNA for EPR studies.

    Science.gov (United States)

    Prior, C; Danilāne, L; Oganesyan, V S

    2018-05-16

    We report the first application of fully atomistic molecular dynamics (MD) simulations to the prediction of electron paramagnetic resonance (EPR) spectra of spin labelled DNA. Models for two structurally different DNA spin probes with either the rigid or flexible position of the nitroxide group in the base pair, employed in experimental studies previously, have been developed. By the application of the combined MD-EPR simulation methodology we aimed at the following. Firstly, to provide a test bed against a sensitive spectroscopic technique for the recently developed improved version of the parmbsc1 force field for MD modelling of DNA. The predicted EPR spectra show good agreement with the experimental ones available from the literature, thus confirming the accuracy of the currently employed DNA force fields. Secondly, to provide a quantitative interpretation of the motional contributions into the dynamics of spin probes in both duplex and single-strand DNA fragments and to analyse their perturbing effects on the local DNA structure. Finally, a combination of MD and EPR allowed us to test the validity of the application of the Model-Free (M-F) approach coupled with the partial averaging of magnetic tensors to the simulation of EPR spectra of DNA systems by comparing the resultant EPR spectra with those simulated directly from MD trajectories. The advantage of the M-F based EPR simulation approach over the direct propagation techniques is that it requires motional and order parameters that can be calculated from shorter MD trajectories. The reported MD-EPR methodology is transferable to the prediction and interpretation of EPR spectra of higher order DNA structures with novel types of spin labels.

  15. Predicting and validating protein interactions using network structure.

    Directory of Open Access Journals (Sweden)

    Pao-Yang Chen

    2008-07-01

    Full Text Available Protein interactions play a vital part in the function of a cell. As experimental techniques for detection and validation of protein interactions are time consuming, there is a need for computational methods for this task. Protein interactions appear to form a network with a relatively high degree of local clustering. In this paper we exploit this clustering by suggesting a score based on triplets of observed protein interactions. The score utilises both protein characteristics and network properties. Our score based on triplets is shown to complement existing techniques for predicting protein interactions, outperforming them on data sets which display a high degree of clustering. The predicted interactions score highly against test measures for accuracy. Compared to a similar score derived from pairwise interactions only, the triplet score displays higher sensitivity and specificity. By looking at specific examples, we show how an experimental set of interactions can be enriched and validated. As part of this work we also examine the effect of different prior databases upon the accuracy of prediction and find that the interactions from the same kingdom give better results than from across kingdoms, suggesting that there may be fundamental differences between the networks. These results all emphasize that network structure is important and helps in the accurate prediction of protein interactions. The protein interaction data set and the program used in our analysis, and a list of predictions and validations, are available at http://www.stats.ox.ac.uk/bioinfo/resources/PredictingInteractions.

  16. Feelings about culture scales: development, factor structure, reliability, and validity.

    Science.gov (United States)

    Maffini, Cara S; Wong, Y Joel

    2015-04-01

    Although measures of cultural identity, values, and behavior exist in the multicultural psychological literature, there is currently no measure that explicitly assesses ethnic minority individuals' positive and negative affect toward culture. Therefore, we developed 2 new measures called the Feelings About Culture Scale--Ethnic Culture and Feelings About Culture Scale--Mainstream American Culture and tested their psychometric properties. In 6 studies, we piloted the measures, conducted factor analyses to clarify their factor structure, and examined reliability and validity. The factor structure revealed 2 dimensions reflecting positive and negative affect for each measure. Results provided evidence for convergent, discriminant, criterion-related, and incremental validity as well as the reliability of the scales. The Feelings About Culture Scales are the first known measures to examine both positive and negative affect toward an individual's ethnic culture and mainstream American culture. The focus on affect captures dimensions of psychological experiences that differ from cognitive and behavioral constructs often used to measure cultural orientation. These measures can serve as a valuable contribution to both research and counseling by providing insight into the nuanced affective experiences ethnic minority individuals have toward culture. (c) 2015 APA, all rights reserved).

  17. The Classroom Environment Questionnaire (CEQ): Development and preliminary structural validity.

    Science.gov (United States)

    Lyons, Carissa; Brown, Ted; Bourke-Taylor, Helen

    2018-04-16

    Occupational therapists offer a unique perspective regarding the contribution of the environment to occupational performance. Therefore, a scale that measures the unique characteristics of the primary school classroom environment where children complete their daily schoolwork occupations is needed. The aim of this study was to develop and psychometrically evaluate a new teacher-report questionnaire that measures a number of environmental characteristics of primary school classrooms. Participants (N = 117) completed the Classroom Environment Questionnaire (CEQ), which utilises a 4-point Likert scale where teachers rate 51 environmental characteristics of their classroom. Teachers also rate the extent to which they believe the physical, social, temporal, institutional and cultural classroom environmental domains contribute to students' schoolwork performance using a 10-point scale. The structural validity of the CEQ was examined using principal component analysis (PCA). Inter-item correlations were examined using Pearson r correlations, while the internal consistency of the CEQ was assessed using Cronbach's alpha. PCA revealed the CEQ to be multidimensional, with 31 items loading onto nine viable factors, representing the unique nature of classroom environments. Based on the PCA results, 20 items were removed from the CEQ. Cronbach's alpha and correlation analysis indicated that most CEQ subsections had acceptable internal consistency (alpha range 0.70-0.82), with four subsections demonstrating a lower level of internal consistency (alpha range 0.55-0.69). Preliminary structural validity and internal consistency analysis findings confirm that the CEQ has potential to be a useful scale for professionals wishing to examine the unique characteristics of primary school classrooms that influence the occupational performance of students. Ongoing analyses will be undertaken to further explore the CEQ's validity and reliability. © 2018 Occupational Therapy Australia.

  18. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  19. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  20. Peptide insertion, positioning, and stabilization in a membrane: insight from an all-atom molecular dynamics simulation.

    Science.gov (United States)

    Babakhani, Arneh; Gorfe, Alemayehu A; Gullingsrud, Justin; Kim, Judy E; Andrew McCammon, J

    Peptide insertion, positioning, and stabilization in a model membrane are probed via an all-atom molecular dynamics (MD) simulation. One peptide (WL5) is simulated in each leaflet of a solvated dimyristoylglycero-3-phosphate (DMPC) membrane. Within the first 5 ns, the peptides spontaneously insert into the membrane and then stabilize during the remaining 70 ns of simulation time. In both leaflets, the peptides localize to the membrane interface, and this localization is attributed to the formation of peptide-lipid hydrogen bonds. We show that the single tryptophan residue in each peptide contributes significantly to these hydrogen bonds; specifically, the nitrogen heteroatom of the indole ring plays a critical role. The tilt angles of the indole rings relative to the membrane normal in the upper and lower leaflets are approximately 26 degrees and 54 degrees , respectively. The tilt angles of the entire peptide chain are 62 degrees and 74 degrees . The membrane induces conformations of the peptide that are characteristic of beta-sheets, and the peptide enhances the lipid ordering in the membrane. Finally, the diffusion rate of the peptides in the membrane plane is calculated (based on experimental peptide concentrations) to be approximately 6 A(2)/ns, thus suggesting a 500 ns time scale for intermolecular interactions.

  1. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics †

    Science.gov (United States)

    Chen, Wei; Shen, Jana K.

    2014-01-01

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: 1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? 2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK a values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via co-titrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle-mesh Ewald, considering the known artifacts due to charge-compensating background plasma. PMID:25142416

  2. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.

    Science.gov (United States)

    Chen, Wei; Shen, Jana K

    2014-10-15

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here, we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: (1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? (2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force-shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK(a) values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via cotitrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle mesh Ewald, considering the known artifacts due to charge-compensating background plasma. Copyright © 2014 Wiley Periodicals, Inc.

  3. Using of Structural Equation Modeling Techniques in Cognitive Levels Validation

    Directory of Open Access Journals (Sweden)

    Natalija Curkovic

    2012-10-01

    Full Text Available When constructing knowledge tests, cognitive level is usually one of the dimensions comprising the test specifications with each item assigned to measure a particular level. Recently used taxonomies of the cognitive levels most often represent some modification of the original Bloom’s taxonomy. There are many concerns in current literature about existence of predefined cognitive levels. The aim of this article is to investigate can structural equation modeling techniques confirm existence of different cognitive levels. For the purpose of the research, a Croatian final high-school Mathematics exam was used (N = 9626. Confirmatory factor analysis and structural regression modeling were used to test three different models. Structural equation modeling techniques did not support existence of different cognitive levels in this case. There is more than one possible explanation for that finding. Some other techniques that take into account nonlinear behaviour of the items as well as qualitative techniques might be more useful for the purpose of the cognitive levels validation. Furthermore, it seems that cognitive levels were not efficient descriptors of the items and so improvements are needed in describing the cognitive skills measured by items.

  4. Validating spatial structure in canopy water content using geostatistics

    Science.gov (United States)

    Sanderson, E. W.; Zhang, M. H.; Ustin, S. L.; Rejmankova, E.; Haxo, R. S.

    1995-01-01

    Heterogeneity in ecological phenomena are scale dependent and affect the hierarchical structure of image data. AVIRIS pixels average reflectance produced by complex absorption and scattering interactions between biogeochemical composition, canopy architecture, view and illumination angles, species distributions, and plant cover as well as other factors. These scales affect validation of pixel reflectance, typically performed by relating pixel spectra to ground measurements acquired at scales of 1m(exp 2) or less (e.g., field spectra, foilage and soil samples, etc.). As image analysis becomes more sophisticated, such as those for detection of canopy chemistry, better validation becomes a critical problem. This paper presents a methodology for bridging between point measurements and pixels using geostatistics. Geostatistics have been extensively used in geological or hydrogeolocial studies but have received little application in ecological studies. The key criteria for kriging estimation is that the phenomena varies in space and that an underlying controlling process produces spatial correlation between the measured data points. Ecological variation meets this requirement because communities vary along environmental gradients like soil moisture, nutrient availability, or topography.

  5. Validity and factor structure of the bodybuilding dependence scale.

    Science.gov (United States)

    Smith, D; Hale, B

    2004-04-01

    To investigate the factor structure, validity, and reliability of the bodybuilding dependence scale and to investigate differences in bodybuilding dependence between men and women and competitive and non-competitive bodybuilders. Seventy two male competitive bodybuilders, 63 female competitive bodybuilders, 87 male non-competitive bodybuilders, and 63 non-competitive female bodybuilders completed the bodybuilding dependence scale (BDS), the exercise dependence questionnaire (EDQ), and the muscle dysmorphia inventory (MDI). Confirmatory factor analysis of the BDS supported a three factor model of bodybuilding dependence, consisting of social dependence, training dependence, and mastery dependence (Q = 3.16, CFI = 0.98, SRMR = 0.04). Internal reliability of all three subscales was high (Cronbach's alpha = 0.92, 0.92, and 0.93 respectively). Significant (pbodybuilders scored significantly (pbodybuilders. However, there were no significant sex differences on any of the BDS subscales (p>0.05). The three factor BDS appears to be a reliable and valid measure of bodybuilding dependence. Symptoms of bodybuilding dependence are more prevalent in competitive bodybuilders than non-competitive ones, but there are no significant sex differences in bodybuilding dependence.

  6. Validation of structural design of JHR fuel element

    International Nuclear Information System (INIS)

    Brisson, S.; Miras, G.; Le Bourdonnec, L.; Lemoine, P.; Anselmet, M.C.; Marelle, V.

    2010-01-01

    The validation of the structural design of the Jules Horowitz Reactor fuel element was made by the Finite Element Method, starting from the Computer Aided Design. The JHR fuel element is a cylindrical assembly of three sectors composed of eight rolled fuel plates. A roll-swaging process is used to join the fuel plates to three aluminium stiffeners. The hydraulic gap between each plate is 1.95 mm. The JHR fuel assembly is fastened at both ends to the upper and lower endfittings by riveting. The main stresses are essentially thermal loads, imposed on the fuel zone of the plates. These thermal loads result from the nuclear heat flux (W/cm 2 ). The mechanical loads are mainly hydraulic thrust forces. The average coolant velocity is 15 m/s. Seismic effects are also studied. The fuel assembly is entirely modelled by thin shells. The model takes into account asymmetric thermal loads which often appear in Research Reactors. The mechanics of the fuel plates vary in function of the burn up. These mechanical properties are derived from the data sets used in the MAIA code, and the validity of the structure is demonstrable at throughout the life of the fuel. Results concerning displacement are compared to functional criteria, while results concerning stress are compared to RCC-MX criteria. The results of this analysis show that the mechanical and geometrical integrity of the JHR fuel elements is respected for Operating Categories 1 and 2. This paper presents the methodology of this demonstration for the results obtained. (author)

  7. All-atom force field for molecular dynamics simulations on organotransition metal solids and liquids. Application to M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) compounds.

    Science.gov (United States)

    Bernardes, Carlos E S; Canongia Lopes, José N; Minas da Piedade, Manuel E

    2013-10-31

    A previously developed OPLS-based all-atom force field for organometallic compounds was extended to a series of first-, second-, and third-row transition metals based on the study of M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) complexes. For materials that are solid at ambient temperature and pressure (M = Cr, Mo, W) the validation of the force field was based on reported structural data and on the standard molar enthalpies of sublimation at 298.15 K, experimentally determined by Calvet-drop microcalorimetry using samples corresponding to a specific and well-characterized crystalline phase: Δ(sub)H(m)° = 72.6 ± 0.3 kJ·mol(–1) for Cr(CO)(6), 73.4 ± 0.3 kJ·mol(–1) for Mo(CO)(6), and 77.8 ± 0.3 kJ·mol(–1) for W(CO)(6). For liquids, where problems of polymorphism or phase mixtures are absent, critically analyzed literature data were used. The force field was able to reproduce the volumetric properties of the test set (density and unit cell volume) with an average deviations smaller than 2% and the experimentally determined enthalpies of sublimation and vaporization with an accuracy better than 2.3 kJ·mol(–1). The Lennard-Jones (12-6) potential function parameters used to calculate the repulsive and dispersion contributions of the metals within the framework of the force field were found to be transferable between chromium, iron, and nickel (first row) and between molybdenum and ruthenium (second row).

  8. Validation and structural analysis of the kinematics concept test

    Directory of Open Access Journals (Sweden)

    A. Lichtenberger

    2017-04-01

    Full Text Available The kinematics concept test (KCT is a multiple-choice test designed to evaluate students’ conceptual understanding of kinematics at the high school level. The test comprises 49 multiple-choice items about velocity and acceleration, which are based on seven kinematic concepts and which make use of three different representations. In the first part of this article we describe the development and the validation process of the KCT. We applied the KCT to 338 Swiss high school students who attended traditional teaching in kinematics. We analyzed the response data to provide the psychometric properties of the test. In the second part we present the results of a structural analysis of the test. An exploratory factor analysis of 664 student answers finally uncovered the seven kinematics concepts as factors. However, the analysis revealed a hierarchical structure of concepts. At the higher level, mathematical concepts group together, and then split up into physics concepts at the lower level. Furthermore, students who seem to understand a concept in one representation have difficulties transferring the concept to similar problems in another representation. Both results have implications for teaching kinematics. First, teaching mathematical concepts beforehand might be beneficial for learning kinematics. Second, instructions have to be designed to teach students the change between different representations.

  9. Validation and structural analysis of the kinematics concept test

    Science.gov (United States)

    Lichtenberger, A.; Wagner, C.; Hofer, S. I.; Stern, E.; Vaterlaus, A.

    2017-06-01

    The kinematics concept test (KCT) is a multiple-choice test designed to evaluate students' conceptual understanding of kinematics at the high school level. The test comprises 49 multiple-choice items about velocity and acceleration, which are based on seven kinematic concepts and which make use of three different representations. In the first part of this article we describe the development and the validation process of the KCT. We applied the KCT to 338 Swiss high school students who attended traditional teaching in kinematics. We analyzed the response data to provide the psychometric properties of the test. In the second part we present the results of a structural analysis of the test. An exploratory factor analysis of 664 student answers finally uncovered the seven kinematics concepts as factors. However, the analysis revealed a hierarchical structure of concepts. At the higher level, mathematical concepts group together, and then split up into physics concepts at the lower level. Furthermore, students who seem to understand a concept in one representation have difficulties transferring the concept to similar problems in another representation. Both results have implications for teaching kinematics. First, teaching mathematical concepts beforehand might be beneficial for learning kinematics. Second, instructions have to be designed to teach students the change between different representations.

  10. Conformational Ensembles of an Intrinsically Disordered Protein pKID with and without a KIX Domain in Explicit Solvent Investigated by All-Atom Multicanonical Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Haruki Nakamura

    2012-02-01

    Full Text Available The phosphorylated kinase-inducible activation domain (pKID adopts a helix–loop–helix structure upon binding to its partner KIX, although it is unstructured in the unbound state. The N-terminal and C-terminal regions of pKID, which adopt helices in the complex, are called, respectively, αA and αB. We performed all-atom multicanonical molecular dynamics simulations of pKID with and without KIX in explicit solvents to generate conformational ensembles. Although the unbound pKID was disordered overall, αA and αB exhibited a nascent helix propensity; the propensity of αA was stronger than that of αB, which agrees with experimental results. In the bound state, the free-energy landscape of αB involved two low free-energy fractions: native-like and non-native fractions. This result suggests that αB folds according to the induced-fit mechanism. The αB-helix direction was well aligned as in the NMR complex structure, although the αA helix exhibited high flexibility. These results also agree quantitatively with experimental observations. We have detected that the αB helix can bind to another site of KIX, to which another protein MLL also binds with the adopting helix. Consequently, MLL can facilitate pKID binding to the pKID-binding site by blocking the MLL-binding site. This also supports experimentally obtained results.

  11. Identification, detection, and validation of vibrating structures: a signal processing approach

    International Nuclear Information System (INIS)

    Candy, J.V.; Lager, D.L.

    1979-01-01

    This report discusses the application of modern signal processing techniques to characterize parameters governing the vibrational response of a structure. Simulated response data is used to explore the feasibility of applying these techniques to various structural problems. On-line estimator/indentifiers are used to estimate structural parameters, validate designed structures, and detect structural failure when used with a detector

  12. The Trait Emotional Intelligence Questionnaire: Internal Structure, Convergent, Criterion, and Incremental Validity in an Italian Sample

    Science.gov (United States)

    Andrei, Federica; Smith, Martin M.; Surcinelli, Paola; Baldaro, Bruno; Saklofske, Donald H.

    2016-01-01

    This study investigated the structure and validity of the Italian translation of the Trait Emotional Intelligence Questionnaire. Data were self-reported from 227 participants. Confirmatory factor analysis supported the four-factor structure of the scale. Hierarchical regressions also demonstrated its incremental validity beyond demographics, the…

  13. Constructing a Validity Argument for the Objective Structured Assessment of Technical Skills (OSATS): A Systematic Review of Validity Evidence

    Science.gov (United States)

    Hatala, Rose; Cook, David A.; Brydges, Ryan; Hawkins, Richard

    2015-01-01

    In order to construct and evaluate the validity argument for the Objective Structured Assessment of Technical Skills (OSATS), based on Kane's framework, we conducted a systematic review. We searched MEDLINE, EMBASE, CINAHL, PsycINFO, ERIC, Web of Science, Scopus, and selected reference lists through February 2013. Working in duplicate, we selected…

  14. Studies of base pair sequence effects on DNA solvation based on all-atom molecular dynamics simulations.

    Science.gov (United States)

    Dixit, Surjit B; Mezei, Mihaly; Beveridge, David L

    2012-07-01

    Detailed analyses of the sequence-dependent solvation and ion atmosphere of DNA are presented based on molecular dynamics (MD) simulations on all the 136 unique tetranucleotide steps obtained by the ABC consortium using the AMBER suite of programs. Significant sequence effects on solvation and ion localization were observed in these simulations. The results were compared to essentially all known experimental data on the subject. Proximity analysis was employed to highlight the sequence dependent differences in solvation and ion localization properties in the grooves of DNA. Comparison of the MD-calculated DNA structure with canonical A- and B-forms supports the idea that the G/C-rich sequences are closer to canonical A- than B-form structures, while the reverse is true for the poly A sequences, with the exception of the alternating ATAT sequence. Analysis of hydration density maps reveals that the flexibility of solute molecule has a significant effect on the nature of observed hydration. Energetic analysis of solute-solvent interactions based on proximity analysis of solvent reveals that the GC or CG base pairs interact more strongly with water molecules in the minor groove of DNA that the AT or TA base pairs, while the interactions of the AT or TA pairs in the major groove are stronger than those of the GC or CG pairs. Computation of solvent-accessible surface area of the nucleotide units in the simulated trajectories reveals that the similarity with results derived from analysis of a database of crystallographic structures is excellent. The MD trajectories tend to follow Manning's counterion condensation theory, presenting a region of condensed counterions within a radius of about 17 A from the DNA surface independent of sequence. The GC and CG pairs tend to associate with cations in the major groove of the DNA structure to a greater extent than the AT and TA pairs. Cation association is more frequent in the minor groove of AT than the GC pairs. In general, the

  15. A hierarchical coarse-grained (all-atom to all residue) approach to peptides (P1, P2) binding with a graphene sheet

    Science.gov (United States)

    Pandey, Ras; Kuang, Zhifeng; Farmer, Barry; Kim, Sang; Naik, Rajesh

    2012-02-01

    Recently, Kim et al. [1] have found that peptides P1: HSSYWYAFNNKT and P2: EPLQLKM bind selectively to graphene surfaces and edges respectively which are critical in modulating both the mechanical as well as electronic transport properties of graphene. Such distinctions in binding sites (edge versus surface) observed in electron micrographs were verified by computer simulation by an all-atomic model that captures the pi-pi bonding. We propose a hierarchical approach that involves input from the all-atom Molecular Dynamics (MD) study (with atomistic detail) into a coarse-grained Monte Carlo simulation to extend this study further to a larger scale. The binding energy of a free amino acid with the graphene sheet from all-atom simulation is used in the interaction parameter for the coarse-grained approach. Peptide chain executes its stochastic motion with the Metropolis algorithm. We investigate a number of local and global physical quantities and find that peptide P1 is likely to bind more strongly to graphene sheet than P2 and that it is anchored by three residues ^4Y^5W^6Y. [1] S.N. Kim et al J. Am. Chem. Soc. 133, 14480 (2011).

  16. Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons.

    Science.gov (United States)

    Popa, Vlad; Trecroce, Danielle A; McAllister, Robert G; Konermann, Lars

    2016-06-16

    Electrospray ionization mass spectrometry (ESI-MS) has become an indispensable technique for examining noncovalent protein complexes. Collision-induced dissociation (CID) of these multiply protonated gaseous ions usually culminates in ejection of a single subunit with a disproportionately large amount of charge. Experiments suggest that this process involves subunit unfolding prior to separation from the residual complex, as well as H(+) migration onto the unravelling chain. Molecular dynamics (MD) simulations are a promising avenue for gaining detailed insights into these CID events. Unfortunately, typical MD algorithms do not allow for mobile protons. Here we address this limitation by implementing a strategy that combines atomistic force fields (such as OPLS/AA and CHARMM36) with a proton hopping algorithm, focusing on the tetrameric complexes transthyretin and streptavidin. Protons are redistributed over all acidic and basic sites in 20 ps intervals, subject to an energy function that reflects electrostatic interactions and proton affinities. Our simulations predict that nativelike conformers at the onset of collisional heating contain multiple salt bridges. Collisional heating initially causes subtle structural changes that lead to a gradual decline of these zwitterionic patterns. Many of the MD runs show gradual unfolding of a single subunit in conjunction with H(+) migration, culminating in subunit separation from the complex. However, there are also instances where two or more chains start to unfold simultaneously, giving rise to charge competition. The scission point where the "winning" subunit separates from the complex can be attained for different degrees of unfolding, giving rise to product ions in various charge states. The simulated product ion distributions are in close agreement with experimental CID data. Proton enrichment in the departing subunit is driven by charge-charge repulsion, but the combination of salt bridge depletion, charge migration

  17. Design of fire resistant concrete structures, using validated Fem models

    NARCIS (Netherlands)

    Erich, S.J.F.; Overbeek, van A.B.M.; Heijden, van der G.H.A.; Pel, L.; Huinink, H.P.; Vervuurt, A.H.J.M.; Schlangen, E.; Schlutter, de G.

    2008-01-01

    Fire safety of buildings and structures is an important issue, and has a great impact on human life and economy. One of the processes negatively affecting the strength of a concrete building or structure during fire is spalling. Many examples exists in which spalling of concrete during fire has

  18. Validation of optimization strategies using the linear structured production chains

    Science.gov (United States)

    Kusiak, Jan; Morkisz, Paweł; Oprocha, Piotr; Pietrucha, Wojciech; Sztangret, Łukasz

    2017-06-01

    Different optimization strategies applied to sequence of several stages of production chains were validated in this paper. Two benchmark problems described by ordinary differential equations (ODEs) were considered. A water tank and a passive CR-RC filter were used as the exemplary objects described by the first and the second order differential equations, respectively. Considered in the work optimization problems serve as the validators of strategies elaborated by the Authors. However, the main goal of research is selection of the best strategy for optimization of two real metallurgical processes which will be investigated in an on-going projects. The first problem will be the oxidizing roasting process of zinc sulphide concentrate where the sulphur from the input concentrate should be eliminated and the minimal concentration of sulphide sulphur in the roasted products has to be achieved. Second problem will be the lead refining process consisting of three stages: roasting to the oxide, oxide reduction to metal and the oxidizing refining. Strategies, which appear the most effective in considered benchmark problems will be candidates for optimization of the mentioned above industrial processes.

  19. Vivaldi: Visualization and validation of biomacromolecular NMR structures from the PDB

    Science.gov (United States)

    Hendrickx, Pieter M S; Gutmanas, Aleksandras; Kleywegt, Gerard J

    2013-01-01

    We describe Vivaldi (VIsualization and VALidation DIsplay; http://pdbe.org/vivaldi), a web-based service for the analysis, visualization, and validation of NMR structures in the Protein Data Bank (PDB). Vivaldi provides access to model coordinates and several types of experimental NMR data using interactive visualization tools, augmented with structural annotations and model-validation information. The service presents information about the modeled NMR ensemble, validation of experimental chemical shifts, residual dipolar couplings, distance and dihedral angle constraints, as well as validation scores based on empirical knowledge and databases. Vivaldi was designed for both expert NMR spectroscopists and casual non-expert users who wish to obtain a better grasp of the information content and quality of NMR structures in the public archive. © Proteins 2013. © 2012 Wiley Periodicals, Inc. PMID:23180575

  20. Theoretical temperature model with experimental validation for CLIC Accelerating Structures

    CERN Document Server

    AUTHOR|(CDS)2126138; Vamvakas, Alex; Alme, Johan

    Micron level stability of the Compact Linear Collider (CLIC) components is one of the main requirements to meet the luminosity goal for the future $48 \\,km$ long underground linear accelerator. The radio frequency (RF) power used for beam acceleration causes heat generation within the aligned structures, resulting in mechanical movements and structural deformations. A dedicated control of the air- and water- cooling system in the tunnel is therefore crucial to improve alignment accuracy. This thesis investigates the thermo-mechanical behavior of the CLIC Accelerating Structure (AS). In CLIC, the AS must be aligned to a precision of $10\\,\\mu m$. The thesis shows that a relatively simple theoretical model can be used within reasonable accuracy to predict the temperature response of an AS as a function of the applied RF power. During failure scenarios or maintenance interventions, the RF power is turned off resulting in no heat dissipation and decrease in the overall temperature of the components. The theoretica...

  1. Cross-Cultural Validation of the Five-Factor Structure of Social Goals: A Filipino Investigation

    Science.gov (United States)

    King, Ronnel B.; Watkins, David A.

    2012-01-01

    The aim of the present study was to test the cross-cultural validity of the five-factor structure of social goals that Dowson and McInerney proposed. Using both between-network and within-network approaches to construct validation, 1,147 Filipino high school students participated in the study. Confirmatory factor analysis indicated that the…

  2. LBA-ECO TG-07 Forest Structure Measurements for GLAS Validation: Santarem 2004

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set provides the results of a GLAS (the Geoscience Laser Altimeter System) forest structure validation survey conducted in Santarem and Sao Jorge, Para...

  3. Validation of Temperature Histories for Structural Steel Welds Using Estimated Heat-Affected-Zone Edges

    Science.gov (United States)

    2016-10-12

    Metallurgy , 2nd Ed., John Wiley & Sons, Inc., 2003. DOI: 10.1002/0471434027. 2. O. Grong, Metallurgical Modelling of Welding , 2ed., Materials Modelling...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6394--16-9690 Validation of Temperature Histories for Structural Steel Welds Using...PAGES 17. LIMITATION OF ABSTRACT Validation of Temperature Histories for Structural Steel Welds Using Estimated Heat-Affected-Zone Edges S.G. Lambrakos

  4. Validation of the measurement model concept for error structure identification

    International Nuclear Information System (INIS)

    Shukla, Pavan K.; Orazem, Mark E.; Crisalle, Oscar D.

    2004-01-01

    The development of different forms of measurement models for impedance has allowed examination of key assumptions on which the use of such models to assess error structure are based. The stochastic error structures obtained using the transfer-function and Voigt measurement models were identical, even when non-stationary phenomena caused some of the data to be inconsistent with the Kramers-Kronig relations. The suitability of the measurement model for assessment of consistency with the Kramers-Kronig relations, however, was found to be more sensitive to the confidence interval for the parameter estimates than to the number of parameters in the model. A tighter confidence interval was obtained for Voigt measurement model, which made the Voigt measurement model a more sensitive tool for identification of inconsistencies with the Kramers-Kronig relations

  5. Latent structure and construct validity of the reinforcement sensitivity questionnaire

    Directory of Open Access Journals (Sweden)

    Mitrović Dušanka

    2008-01-01

    Full Text Available The Revised reinforcement sensitivity theory contains three basic systems: Behavioral inhibition system (BAS, Behavioral activation system (BIS and the Fight/ Flight/ Freeze (FFF system. In this model, BIS is a system for detection of potential conflict or threat, and FFFS differs three basic patterns of reaction to actual or perceived danger. In Study 1, which was aimed at the examination of the latent structure of the RSQ, was conducted on a sample of 472 participants of both genders. The best - fitting model suggests that, at the top level of hierarchy, three dimensions exist, which are analogous to the BIS, BAS and FFF. The last dimension contains three subordinate dimensions, which represent the subsystems of the FFF. Study 2, in which 203 subjects participated, was aimed at examination of the relations between the dimensions of the Revised reinforcement sensitivity theory and dimensions of the PEN model. Confirmatory factor analyses of the RSQ and EPQ-R dimensions revealed that the best-fitting model comprised three latent dimensions, the first one being analogous to the BIS - Neuroticism, the second one to the BAS - Extraversion, and the third to the Aggressiveness- Psychoticism. The structure of the latent dimensions is in accordance with the expectations. The results state that fear and anxiety (which neurophysiological distinction is emphasized by Gray, are substantively similar on the behavioral level. Also, the results suggest that the Freeze dimension is probably closer to the BIS system than to the FFF.

  6. Factor structure and concurrent validity of the world assumptions scale.

    Science.gov (United States)

    Elklit, Ask; Shevlin, Mark; Solomon, Zahava; Dekel, Rachel

    2007-06-01

    The factor structure of the World Assumptions Scale (WAS) was assessed by means of confirmatory factor analysis. The sample was comprised of 1,710 participants who had been exposed to trauma that resulted in whiplash. Four alternative models were specified and estimated using LISREL 8.72. A correlated 8-factor solution was the best explanation of the sample data. The estimates of reliability of eight subscales of the WAS ranged from .48 to .82. Scores from five subscales correlated significantly with trauma severity as measured by the Harvard Trauma Questionnaire, although the magnitude of the correlations was low to modest, ranging from .08 to -.43. It is suggested that the WAS has adequate psychometric properties for use in both clinical and research settings.

  7. Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

    Science.gov (United States)

    Wallace, Jason A; Shen, Jana K

    2012-11-14

    Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

  8. Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

    International Nuclear Information System (INIS)

    Streek, Jacco van de; Neumann, Marcus A.

    2010-01-01

    The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst. Section E. This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 Å either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect

  9. Structural Validity of the Professional Development Profile of the LoTi Digital-Age Survey

    Science.gov (United States)

    Mehta, Vandhana; Hull, Darrell M.

    2013-01-01

    The present study was used to examine the structural construct validity of the Professional Development Profile of the LoTi Digital-Age Survey, a measure of teacher instructional practices with technology in the classroom. Teacher responses ("N" = 2,840) from across the United States were used to assess factor structure of the instrument…

  10. The Dynamic Similitude Design Method of Thin Walled Structures and Experimental Validation

    Directory of Open Access Journals (Sweden)

    Zhong Luo

    2016-01-01

    Full Text Available For the applicability of dynamic similitude models of thin walled structures, such as engine blades, turbine discs, and cylindrical shells, the dynamic similitude design of typical thin walled structures is investigated. The governing equation of typical thin walled structures is firstly unified, which guides to establishing dynamic scaling laws of typical thin walled structures. Based on the governing equation, geometrically complete scaling law of the typical thin walled structure is derived. In order to determine accurate distorted scaling laws of typical thin walled structures, three principles are proposed and theoretically proved by combining the sensitivity analysis and governing equation. Taking the thin walled annular plate as an example, geometrically complete and distorted scaling laws can be obtained based on the principles of determining dynamic scaling laws. Furthermore, the previous five orders’ accurate distorted scaling laws of thin walled annular plates are presented and numerically validated. Finally, the effectiveness of the similitude design method is validated by experimental annular plates.

  11. Structure validation of the Josephin domain of ataxin-3: Conclusive evidence for an open conformation

    International Nuclear Information System (INIS)

    Nicastro, Giuseppe; Habeck, Michael; Masino, Laura; Svergun, Dmitri I.; Pastore, Annalisa

    2006-01-01

    The availability of new and fast tools in structure determination has led to a more than exponential growth of the number of structures solved per year. It is therefore increasingly essential to assess the accuracy of the new structures by reliable approaches able to assist validation. Here, we discuss a specific example in which the use of different complementary techniques, which include Bayesian methods and small angle scattering, resulted essential for validating the two currently available structures of the Josephin domain of ataxin-3, a protein involved in the ubiquitin/proteasome pathway and responsible for neurodegenerative spinocerebellar ataxia of type 3. Taken together, our results demonstrate that only one of the two structures is compatible with the experimental information. Based on the high precision of our refined structure, we show that Josephin contains an open cleft which could be directly implicated in the interaction with polyubiquitin chains and other partners

  12. Validating a Finite Element Model of a Structure Subjected to Mine Blast with Experimental Modal Analysis

    Science.gov (United States)

    2017-11-01

    Howle, Dmitriy Krayterman, Justin E Pritchett, and Ryan Sorenson 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING...The Under-body Blast Methodology (UBM) for the Test and Evaluation (T&E) program was established to provide a capability for the US Army Test and...and must be validated. The UBM for the T&E program has completed efforts to validate soil models but not structural dynamics models. Modal testing

  13. The structural validity of the Experience of Work and Life Circumstances Questionnaire (WLQ

    Directory of Open Access Journals (Sweden)

    Pieter Schaap

    2016-09-01

    Full Text Available Orientation: Best practice frameworks suggest that an assessment practitioner’s choice of an assessment tool should be based on scientific evidence that underpins the appropriate and just use of the instrument. This is a context-specific validity study involving a classified psychological instrument against the background of South African regulatory frameworks and contemporary validity theory principles. Research purpose: The aim of the study was to explore the structural validity of the Experience of Work and Life Circumstances Questionnaire (WLQ administered to employees in the automotive assembly plant of a South African automotive manufacturing company. Motivation for the study: Although the WLQ has been used by registered health practitioners and numerous researchers, evidence to support the structural validity is lacking. This study, therefore, addressed the need for context-specific empirical support for the validity of score inferences in respect of employees in a South African automotive manufacturing plant. Research design, approach and method: The research was conducted using a convenience sample (N = 217 taken from the automotive manufacturing company where the instrument was used. Reliability and factor analyses were carried out to explore the structural validity of the WLQ. Main findings: The reliability of the WLQ appeared to be acceptable, and the assumptions made about unidimensionality were mostly confirmed. One of the proposed higher-order structural models of the said questionnaire administered to the sample group was confirmed, whereas the other one was partially confirmed. Practical/managerial implications: The conclusion reached was that preliminary empirical grounds existed for considering the continued use of the WLQ (with some suggested refinements by the relevant company, provided the process of accumulating a body of validity evidence continued. Contribution/value-add: This study identified some of the difficulties

  14. Construct Validity and Reliability of Structured Assessment of endoVascular Expertise in a Simulated Setting

    DEFF Research Database (Denmark)

    Bech, B; Lönn, L; Falkenberg, M

    2011-01-01

    Objectives To study the construct validity and reliability of a novel endovascular global rating scale, Structured Assessment of endoVascular Expertise (SAVE). Design A Clinical, experimental study. Materials Twenty physicians with endovascular experiences ranging from complete novices to highly....... Validity was analysed by correlating experience with performance results. Reliability was analysed according to generalisability theory. Results The mean score on the 29 items of the SAVE scale correlated well with clinical experience (R = 0.84, P ... with clinical experience (R = -0.53, P validity and reliability of assessment with the SAVE scale was high when applied to performances in a simulation setting with advanced realism. No ceiling effect...

  15. Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

    Science.gov (United States)

    van de Streek, Jacco; Neumann, Marcus A

    2010-10-01

    This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

  16. The Factor Structure and Validity of the Persian Version of the Baumrind Parenting Style Inventory

    OpenAIRE

    اصغر مینائی; سپیده نیک زاد

    2017-01-01

    In this study, the factor structure and validity of the Persian version of the Baumrind parenting style inventory were evaluated among 576 mothers of elementary school students in Tehran who had been selected through multistage cluster sampling method. This study is, due to its subject and purposes a descriptive study based on psychometric methods. The factor structure of the inventory was tested by AMOS software based on the fitting and modification indicators in the confirmatory factor anal...

  17. Modeling validation to structural flaws in the foundations of oil tanks

    International Nuclear Information System (INIS)

    Couto, Larissa Goncalves; Leite, Sandro Passos

    2014-01-01

    This paper presents the modeling of an experiment used to study the application of backscattered neutrons in the identification of structural flaws in the foundations of oil tanks. This modeling was a preliminary validation procedure of the method of calculation, performed with the radiation transport code MCNP, to study the application of backscattered neutrons as inspection tool. (author)

  18. Experimental validation for calcul methods of structures having shock non-linearity

    International Nuclear Information System (INIS)

    Brochard, D.; Buland, P.

    1987-01-01

    For the seismic analysis of non-linear structures, numerical methods have been developed which need to be validated on experimental results. The aim of this paper is to present the design method of a test program which results will be used for this purpose. Some applications to nuclear components will illustrate this presentation [fr

  19. Validity of a structured method of selecting abstracts for a plastic surgical scientific meeting

    NARCIS (Netherlands)

    van der Steen, LPE; Hage, JJ; Kon, M; Monstrey, SJ

    In 1999, the European Association of Plastic Surgeons accepted a structured method to assess and select the abstracts that are submitted for its yearly scientific meeting. The two criteria used to evaluate whether such a selection method is accurate were reliability and validity. The authors

  20. The Reliability, Validity, and Evaluation of the Objective Structured Clinical Examination in Podiatry (Chiropody).

    Science.gov (United States)

    Woodburn, Jim; Sutcliffe, Nick

    1996-01-01

    The Objective Structured Clinical Examination (OSCE), initially developed for undergraduate medical education, has been adapted for assessment of clinical skills in podiatry students. A 12-month pilot study found the test had relatively low levels of reliability, high construct and criterion validity, and good stability of performance over time.…

  1. Implicit structural inversion of gravity data using linear programming, a validation study

    NARCIS (Netherlands)

    Zon, A.T. van; Roy Chowdhury, K.

    2010-01-01

    In this study, a regional scale gravity data set has been inverted to infer the structure (topography) of the top of the basement underlying sub-horizontal strata. We apply our method to this real data set for further proof of concept, validation and benchmarking against results from an earlier

  2. Structural Validity of the WISC-IV for Students with Learning Disabilities

    Science.gov (United States)

    Styck, Kara M.; Watkins, Marley W.

    2016-01-01

    The structural validity of the "Wechsler Intelligence Scale for Children-Fourth Edition" (WISC-IV) was evaluated using confirmatory factor analysis for a clinical sample of 1,537 students diagnosed with specific learning disabilities (SLD) by school psychologists in two large southwestern school districts. Results indicated that a…

  3. Construct Validity of the WISC-IV with a Referred Sample: Direct versus Indirect Hierarchical Structures

    Science.gov (United States)

    Canivez, Gary L.

    2014-01-01

    The Wechsler Intelligence Scale for Children--Fourth Edition (WISC-IV) is one of the most frequently used intelligence tests in clinical assessments of children with learning difficulties. Construct validity studies of the WISC-IV have generally supported the higher order structure with four correlated first-order factors and one higher-order…

  4. The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations

    International Nuclear Information System (INIS)

    Cortini, Ruggero; Cheng, Xiaolin

    2017-01-01

    Electrostatic interactions between DNA molecules have been extensively studied experimentally and theoretically, but several aspects (e.g. its role in determining the pitch of the cholesteric DNA phase) still remain unclear. Here, we performed large-scale all-atom molecular dynamics simulations in explicit water and 150 mM sodium chloride, to reconstruct the potential of mean force (PMF) of two DNA oligomers 24 base pairs long as a function of their interaxial angle and intermolecular distance. We find that the potential of mean force is dominated by total DNA charge, and not by the helical geometry of its charged groups. The theory of homogeneously charged cylinders fits well all our simulation data, and the fit yields the optimal value of the total compensated charge on DNA to ≈65% of its total fixed charge (arising from the phosphorous atoms), close to the value expected from Manning's theory of ion condensation. The PMF calculated from our simulations does not show a significant dependence on the handedness of the angle between the two DNA molecules, or its size is on the order of 1k B T. Thermal noise for molecules of the studied length seems to mask the effect of detailed helical charge patterns of DNA. The fact that in monovalent salt the effective interaction between two DNA molecules is independent on the handedness of the tilt may suggest that alternative mechanisms are required to understand the cholesteric phase of DNA.

  5. C6 Coefficients and Dipole Polarizabilities for All Atoms and Many Ions in Rows 1-6 of the Periodic Table.

    Science.gov (United States)

    Gould, Tim; Bučko, Tomáš

    2016-08-09

    Using time-dependent density functional theory (TDDFT) with exchange kernels, we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table. These are then integrated over frequency to produce C6 coefficients. Results are presented under different models: straight TDDFT calculations using two different kernels; "benchmark" TDDFT calculations corrected by more accurate quantum chemical and experimental data; and "benchmark" TDDFT with frozen orbital anions. Parametrizations are presented for 411+ atoms and ions, allowing results to be easily used by other researchers. A curious relationship, C6,XY ∝ [αX(0)αY(0)](0.73), is found between C6 coefficients and static polarizabilities α(0). The relationship C6,XY = 2C6,XC6,Y/[(αX/αY)C6,Y + (αY/αX)C6,X] is tested and found to work well (30% errors) in a small fraction of cases.

  6. Contribution to the validation of thermal ratchetting prevision methods in metallic structures; Contribution a la validation des methodes de prevision du rochet thermique dans les structures metalliques

    Energy Technology Data Exchange (ETDEWEB)

    Rakotovelo, A.M

    1998-03-01

    This work concerns the steady state assessment in the metallic structures subjected to thermomechanical cyclic loadings in biaxial stress state. The effect of the short time mechanical overloads is also investigated. The first chapter is devoted to a bibliographic research concerning the behaviour of the materials and the structures in the cyclic plasticity. Some works relate to the experimental aspect as well as the numerical one for the steady state assessment of such structures are presented. The experimental part of the study is presented in the second chapter. The experimental device was carried out in order to prescribe tension and torsion forces combined with cyclic thermal loading. Some tests was then carried out, among these tests certain include some overloads in tension or torsion. The last chapter describes the numerical calculations using different models (linear isotropic hardening, linear kinematic hardening and elasto-viscoplastic Chaboche's model) and the application of some simplified methods for the ratchetting assessment in the structures. We have considered two categories of methods. The first one is based on an elastic analysis (Bree's diagram, 3 Sm rule, efficiency rule) and the second one combines elastic analysis and elastoplastic analysis of the first cycle (Gatt's and Taleb's methods). The results of this study have enabled: to validate in the biaxial stress state an expression which takes into account the effect of mechanical short time overloads; to test the performances of considered models to describe the evolution of the structure during the first cycle and to take into account the effect of short time overloads. Among the considered models, the elastoplastic Chaboche's model seems to be the most accurate to describe the structure's behaviour during the first cycles; to validate some simplified methods. Certain methods based only on elastic analysis (Bee's diagram and efficiency rule) seem not

  7. Selecting the "Best" Factor Structure and Moving Measurement Validation Forward: An Illustration.

    Science.gov (United States)

    Schmitt, Thomas A; Sass, Daniel A; Chappelle, Wayne; Thompson, William

    2018-04-09

    Despite the broad literature base on factor analysis best practices, research seeking to evaluate a measure's psychometric properties frequently fails to consider or follow these recommendations. This leads to incorrect factor structures, numerous and often overly complex competing factor models and, perhaps most harmful, biased model results. Our goal is to demonstrate a practical and actionable process for factor analysis through (a) an overview of six statistical and psychometric issues and approaches to be aware of, investigate, and report when engaging in factor structure validation, along with a flowchart for recommended procedures to understand latent factor structures; (b) demonstrating these issues to provide a summary of the updated Posttraumatic Stress Disorder Checklist (PCL-5) factor models and a rationale for validation; and (c) conducting a comprehensive statistical and psychometric validation of the PCL-5 factor structure to demonstrate all the issues we described earlier. Considering previous research, the PCL-5 was evaluated using a sample of 1,403 U.S. Air Force remotely piloted aircraft operators with high levels of battlefield exposure. Previously proposed PCL-5 factor structures were not supported by the data, but instead a bifactor model is arguably more statistically appropriate.

  8. On the Validation of a Numerical Model for the Analysis of Soil-Structure Interaction Problems

    Directory of Open Access Journals (Sweden)

    Jorge Luis Palomino Tamayo

    Full Text Available Abstract Modeling and simulation of mechanical response of structures, relies on the use of computational models. Therefore, verification and validation procedures are the primary means of assessing accuracy, confidence and credibility in modeling. This paper is concerned with the validation of a three dimensional numerical model based on the finite element method suitable for the dynamic analysis of soil-structure interaction problems. The soil mass, structure, structure's foundation and the appropriate boundary conditions can be represented altogether in a single model by using a direct approach. The theory of porous media of Biot is used to represent the soil mass as a two-phase material which is considered to be fully saturated with water; meanwhile other parts of the system are treated as one-phase materials. Plasticity of the soil mass is the main source of non-linearity in the problem and therefore an iterative-incremental algorithm based on the Newton-Raphson procedure is used to solve the nonlinear equilibrium equations. For discretization in time, the Generalized Newmark-β method is used. The soil is represented by a plasticity-based, effective-stress constitutive model suitable for liquefaction. Validation of the present numerical model is done by comparing analytical and centrifuge test results of soil and soil-pile systems with those results obtained with the present numerical model. A soil-pile-structure interaction problem is also presented in order to shown the potentiality of the numerical tool.

  9. Structural Validity of the WISC-IV for Students With Learning Disabilities.

    Science.gov (United States)

    Styck, Kara M; Watkins, Marley W

    2016-01-01

    The structural validity of the Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV) was evaluated using confirmatory factor analysis for a clinical sample of 1,537 students diagnosed with specific learning disabilities (SLD) by school psychologists in two large southwestern school districts. Results indicated that a bifactor model consisting of four first-order domain specific factors and a general intelligence breadth factor fit the data best. Consequently, the structural validity of the WISC-IV for students with SLD was supported by the results of the present study. The general intelligence factor contributed the most information, accounting for 48% of the common variance. Given this structure, it was recommended that score interpretation should emphasize the Full-Scale IQ score because of the marginal contributions of the first-order domain-specific factors and their low precision of measurement independent of the general factor. © Hammill Institute on Disabilities 2014.

  10. Validation of seismic soil structure interaction (SSI) methodology for a UK PWR nuclear power station

    International Nuclear Information System (INIS)

    Llambias, J.M.

    1993-01-01

    The seismic loading information for use in the seismic design of equipment and minor structures within a nuclear power plant is determined from a dynamic response analysis of the building in which they are located. This dynamic response analysis needs to capture the global response of both the building structure and adjacent soil and is commonly referred to as a soil structure interaction (SSI) analysis. NNC have developed a simple and cost effective methodology for the seismic SSI analysis of buildings in a PWR nuclear power station at a UK soft site. This paper outlines the NNC methodology and describes the approach adopted for its validation

  11. Factor structure and validity of the Depression, Anxiety and Stress Scale-21 in Swedish translation.

    Science.gov (United States)

    Alfonsson, S; Wallin, E; Maathz, P

    2017-03-01

    WHAT IS KNOWN ON THE SUBJECT?: The Depression, Anxiety and Stress Scale-21 (DASS-21) is a widely used measurement for psychological symptoms and distress. Some previous studies have shown that the DASS-21 can accurately measure symptoms of anxiety, depression and stress, while other studies have indicated that the DASS-21 mainly measures overall distress. The factor structure of the DASS-21 is important and debated since if affects interpretations of findings. WHAT DOES THIS PAPER ADD TO EXISTING KNOWLEDGE?: In this study, the DASS-21 was translated into Swedish and evaluated in three diverse samples. The DASS-21 subscales of Depression and Anxiety correlated significantly with corresponding criteria instruments. The DASS-21 Stress subscale showed more diverse associations with psychological distress. The analyses supported a bifactor model of the DASS-21 with three specific factors of depression, anxiety and stress as well as a general distress factor. WHAT ARE THE IMPLICATIONS FOR PRACTICE?: The results show that the DASS-21 may be used to measure unique symptoms of depression, anxiety and, with some caveat, stress as well as overall psychological distress. This study confirms that the DASS-21 is theoretically sound instrument that is feasible for both research and clinical practice. The DASS-21 can be an accessible tool for screening and evaluation in first-line mental health services. Introduction There is a constant need for theoretically sound and valid self-report instruments for measuring psychological distress. Previous studies have shown that the Depression, Anxiety and Stress Scale-21 (DASS-21) is theoretically sound, but there have been some inconsistent results regarding its factor structure. Aims The aim of the present study was to investigate and elucidate the factor structure and convergent validity of the DASS-21. Methods A total of 624 participants recruited from student, primary care and psychotherapy populations. The factor structure of the DASS

  12. Structural refinement and prediction of potential CCR2 antagonists through validated multi-QSAR modeling studies.

    Science.gov (United States)

    Amin, Sk Abdul; Adhikari, Nilanjan; Baidya, Sandip Kumar; Gayen, Shovanlal; Jha, Tarun

    2018-01-03

    Chemokines trigger numerous inflammatory responses and modulate the immune system. The interaction between monocyte chemoattractant protein-1 and chemokine receptor 2 (CCR2) may be the cause of atherosclerosis, obesity, and insulin resistance. However, CCR2 is also implicated in other inflammatory diseases such as rheumatoid arthritis, multiple sclerosis, asthma, and neuropathic pain. Therefore, there is a paramount importance of designing potent and selective CCR2 antagonists despite a number of drug candidates failed in clinical trials. In this article, 83 CCR2 antagonists by Jhonson and Jhonson Pharmaceuticals have been considered for robust validated multi-QSAR modeling studies to get an idea about the structural and pharmacophoric requirements for designing more potent CCR2 antagonists. All these QSAR models were validated and statistically reliable. Observations resulted from different modeling studies correlated and validated results of other ones. Finally, depending on these QSAR observations, some new molecules were proposed that may exhibit higher activity against CCR2.

  13. The validation of the Polish version of the Posttraumatic Diagnostic Scale and its factor structure

    Directory of Open Access Journals (Sweden)

    Wojciech Ł. Dragan

    2012-08-01

    Full Text Available Background: Posttraumatic Diagnostic Scale (PDS is a self-descriptive measure developed to provide information regarding posttraumatic stress disorder (PTSD diagnosis and symptom severity. Objectives: The aim of this article is to report on the validation of the Polish version of PDS and to test its factor structure with reference to two models: an original three-factor model (Reexperiencing, Avoidance, and Arousal and alternative five-factor model (Reexperiencing, Avoidance, Numbing, Dysphoric Arousal, and Anxious Arousal. Method: The validation procedure included three studies conducted on samples of separate populations: university-level students (n=507, individuals who had experienced various traumas (n=320, and treatment-seeking survivors of motor vehicle accidents (MVA (n=302. Various other measures of trauma-related psychopathology were administered to participants, as well as the PTSD module of the Structured Clinical Interview (SCID in the case of MVA patients. Results: PDS showed high internal consistency and test–retest reliability, good diagnostic agreement with SCID, good sensitivity but relatively low specificity. The satisfactory convergent validity was supported by a large number of significant correlations with other measures of trauma-related psychopathology. Confirmatory factor analysis (CFA generally confirmed both the three-factor structure and the alternative five-factor structure of the questionnaire. Conclusions: The results show generally good psychometric properties of the Polish version of PDS.

  14. [French version of structured interviews for the Glasgow Outcome Scale: guidelines and first studies of validation].

    Science.gov (United States)

    Fayol, P; Carrière, H; Habonimana, D; Preux, P-M; Dumond, J-J

    2004-05-01

    The Glasgow Outcome Scale (GOS) is the most widely used outcome measure after traumatic brain injury. The GOS's reliability is improved by a structured interview. The two aims of this paper were to present a French version of the structured interview for the five-point Glasgow Outcome Scale and the extended eight-point GOS (GOSE) and to study their validity. The French version was developed using back-translation. Concurrent validity was studied by comparison with GOS/GOSE without structured interview. Inter-rater reliability was studied by comparison between assignments made by untrained head injury observers and trained head injury observers. Strength of agreement between ratings was assessed using the Kappa statistic. The French version and the guidelines for their use are given in the Appendix. Ratings were made for 25 brain injured patients and 25 relatives. Concurrent validity was good and inter-rater reliability was excellent. Using the structured interview for the GOS will give a more reliable assessment of the outcome of brain injured patients by French-speaking rehabilitation teams and a more precise assessment with the extended GOS.

  15. A mobile sensing system for structural health monitoring: design and validation

    International Nuclear Information System (INIS)

    Zhu, Dapeng; Yi, Xiaohua; Wang, Yang; Lee, Kok-Meng; Guo, Jiajie

    2010-01-01

    This paper describes a new approach using mobile sensor networks for structural health monitoring. Compared with static sensors, mobile sensor networks offer flexible system architectures with adaptive spatial resolutions. The paper first describes the design of a mobile sensing node that is capable of maneuvering on structures built with ferromagnetic materials. The mobile sensing node can also attach/detach an accelerometer onto/from the structural surface. The performance of the prototype mobile sensor network has been validated through laboratory experiments. Two mobile sensing nodes are adopted for navigating on a steel portal frame and providing dense acceleration measurements. Transmissibility function analysis is conducted to identify structural damage using data collected by the mobile sensing nodes. This preliminary work is expected to spawn transformative changes in the use of mobile sensors for future structural health monitoring

  16. A mobile sensing system for structural health monitoring: design and validation

    Science.gov (United States)

    Zhu, Dapeng; Yi, Xiaohua; Wang, Yang; Lee, Kok-Meng; Guo, Jiajie

    2010-05-01

    This paper describes a new approach using mobile sensor networks for structural health monitoring. Compared with static sensors, mobile sensor networks offer flexible system architectures with adaptive spatial resolutions. The paper first describes the design of a mobile sensing node that is capable of maneuvering on structures built with ferromagnetic materials. The mobile sensing node can also attach/detach an accelerometer onto/from the structural surface. The performance of the prototype mobile sensor network has been validated through laboratory experiments. Two mobile sensing nodes are adopted for navigating on a steel portal frame and providing dense acceleration measurements. Transmissibility function analysis is conducted to identify structural damage using data collected by the mobile sensing nodes. This preliminary work is expected to spawn transformative changes in the use of mobile sensors for future structural health monitoring.

  17. Factor Structure, Validity and Reliability of the Revised Version of Skin Picking Scale

    Directory of Open Access Journals (Sweden)

    Mehdi Rabiei

    2014-09-01

    Full Text Available Background: The purpose of this study was to examine the factor structure, validity and reliability of the Skin Picking Scale-Revised Version. Materials and Methods: In this descriptive and validation study, participants were 550 (250 male and 300 female of the University of Isfahan were selected randomly from 15000 students. In order to examine the factor structure of the SPS-R we conducted both exploratory and confirmatory factor analyses and Cronbach's alpha. Results: Convergent validity of SPS-R with YBOCS-BDD, OCI-R and DASS 21-item were r=0.45, r=0.51 and r=0.70 (p<0.001. Exploratory and confirmatory factor analyses revealed two factors, one assessing impairment and the other symptom severity (4 items each. These factors could determine 58.1% of the variance. The Cronbach's alpha for the two factors were above 0.88. Also, results were shown to possess good psychometric properties, as well as discriminant validity and classification accuracy, in both clinical and community populations. Conclusion: It can be concluded that this instrument is a useful measure for assess skin-picking disorder symptoms in clinical assessment.

  18. Validation and calibration of structural models that combine information from multiple sources.

    Science.gov (United States)

    Dahabreh, Issa J; Wong, John B; Trikalinos, Thomas A

    2017-02-01

    Mathematical models that attempt to capture structural relationships between their components and combine information from multiple sources are increasingly used in medicine. Areas covered: We provide an overview of methods for model validation and calibration and survey studies comparing alternative approaches. Expert commentary: Model validation entails a confrontation of models with data, background knowledge, and other models, and can inform judgments about model credibility. Calibration involves selecting parameter values to improve the agreement of model outputs with data. When the goal of modeling is quantitative inference on the effects of interventions or forecasting, calibration can be viewed as estimation. This view clarifies issues related to parameter identifiability and facilitates formal model validation and the examination of consistency among different sources of information. In contrast, when the goal of modeling is the generation of qualitative insights about the modeled phenomenon, calibration is a rather informal process for selecting inputs that result in model behavior that roughly reproduces select aspects of the modeled phenomenon and cannot be equated to an estimation procedure. Current empirical research on validation and calibration methods consists primarily of methodological appraisals or case-studies of alternative techniques and cannot address the numerous complex and multifaceted methodological decisions that modelers must make. Further research is needed on different approaches for developing and validating complex models that combine evidence from multiple sources.

  19. The Factor Structure and Validity of the Persian Version of the Baumrind Parenting Style Inventory

    Directory of Open Access Journals (Sweden)

    اصغر مینائی

    2017-06-01

    Full Text Available In this study, the factor structure and validity of the Persian version of the Baumrind parenting style inventory were evaluated among 576 mothers of elementary school students in Tehran who had been selected through multistage cluster sampling method. This study is, due to its subject and purposes a descriptive study based on psychometric methods. The factor structure of the inventory was tested by AMOS software based on the fitting and modification indicators in the confirmatory factor analysis. The results showed that all items of the parenting style inventory except the items of 24, 8, 13, 18, assess the previously determined factors of the inventory, and that the inventory’s questions have a relatively good validity. Also, stratified alpha was used to calculate the reliability of the whole inventory, and Guttman coefficient was utilized to calculate the reliability of subscales. The outcomes indicated that the inventory and its subscales possess a relatively good reliability.

  20. Construct validity of the reporter-interpreter-manager-educator structure for assessing students' patient encounter skills

    DEFF Research Database (Denmark)

    Tolsgaard, Martin G.; Arendrup, Henrick; Lindhardt, Bjarne O.

    2012-01-01

    PURPOSE: The aim of this study, done in Denmark, was to explore the construct validity of a Reporter-Interpreter-Manager-Educator (RIME)-structured scoring format for assessing patient encounter skills. METHOD: The authors developed a RIME-structured scoring form and explored its construct validity...... in a two-step procedure. The first step (implemented in 2009) was a randomized, controlled, experimental study in which the performance of three groups (16 fourth-year medical students, 16 sixth-year medical students, and 16 interns) was assessed in two simulated patient encounters. The second step...... (carried out during 2009-2010) was an observational study of patient encounter skills where clinician examiners used the scoring form in end-of-clerkship oral examinations of three consecutive cohorts of a total of 547 fourth-year medical students. RESULTS: In the experimental study, RIME scores showed...

  1. The Self-Description Inventory+, Part 1: Factor Structure and Convergent Validity Analyses

    Science.gov (United States)

    2013-07-01

    measures 12 scales of personality. The current report examines the possibility of replacing the EQ with a Five Factor Model ( FFM ) measure of...Checklist. Our results show that the SDI + has scales that are intercorrelated in a manner consistent with the FFM (Experiment 1), a factor structure...met the criteria showing it to be an FFM instrument, we will conduct concurrent validity research to determine if the SDI+ has greater predictive

  2. Validation of an employee satisfaction model: A structural equation model approach

    OpenAIRE

    Ophillia Ledimo; Nico Martins

    2015-01-01

    The purpose of this study was to validate an employee satisfaction model and to determine the relationships between the different dimensions of the concept, using the structural equation modelling approach (SEM). A cross-sectional quantitative survey design was used to collect data from a random sample of (n=759) permanent employees of a parastatal organisation. Data was collected using the Employee Satisfaction Survey (ESS) to measure employee satisfaction dimensions. Following the steps of ...

  3. Structural Validity of the Pittsburgh Sleep Quality Index in Chinese Undergraduate Students

    OpenAIRE

    Guo, Suran; Sun, Wenmei; Liu, Chang; Wu, Siwei

    2016-01-01

    The purpose of this study was to examine the structural validity of the Pittsburgh Sleep Quality Index (PSQI) in Chinese undergraduate students. A cross-sectional questionnaire survey with 631 Chinese undergraduate students was conducted, and the questionnaire package included a measure of demographic characteristics, PSQI, Chinese editions of Center for Epidemiologic Studies-Depression, State- Trait Anxiety Inventory, Rumination Response Scale, and Perceived Social Support Scale. Results sho...

  4. Structural validity of the Pittsburgh Sleep Quality Index in Chinese undergraduate students: A confirmatory factor analysis

    OpenAIRE

    Suran Guo; chang liu; wenmei sun; siwei wu

    2016-01-01

    The purpose of this study was to examine the structural validity of the Pittsburgh Sleep Quality Index (PSQI) in Chinese undergraduate students. A cross-sectional questionnaire survey with 631 Chinese undergraduate students was conducted, and the questionnaire package included a measure of demographic characteristics, Pittsburgh Sleep Quality Index (PSQI), Chinese editions of Center for Epidemiologic Studies-Depression, State- Trait Anxiety Inventory, Rumination Response Scale, and Perceived ...

  5. The Structure of Preschoolers' Emotion Knowledge: Model Equivalence and Validity Using a Structural Equation Modeling Approach

    Science.gov (United States)

    Bassett, Hideko Hamada; Denham, Susanne; Mincic, Melissa; Graling, Kelly

    2012-01-01

    Research Findings: A theory-based 2-factor structure of preschoolers' emotion knowledge (i.e., recognition of emotional expression and understanding of emotion-eliciting situations) was tested using confirmatory factor analysis. Compared to 1- and 3-factor models, the 2-factor model showed a better fit to the data. The model was found to be…

  6. Donabedian's structure-process-outcome quality of care model: Validation in an integrated trauma system.

    Science.gov (United States)

    Moore, Lynne; Lavoie, André; Bourgeois, Gilles; Lapointe, Jean

    2015-06-01

    According to Donabedian's health care quality model, improvements in the structure of care should lead to improvements in clinical processes that should in turn improve patient outcome. This model has been widely adopted by the trauma community but has not yet been validated in a trauma system. The objective of this study was to assess the performance of an integrated trauma system in terms of structure, process, and outcome and evaluate the correlation between quality domains. Quality of care was evaluated for patients treated in a Canadian provincial trauma system (2005-2010; 57 centers, n = 63,971) using quality indicators (QIs) developed and validated previously. Structural performance was measured by transposing on-site accreditation visit reports onto an evaluation grid according to American College of Surgeons criteria. The composite process QI was calculated as the average sum of proportions of conformity to 15 process QIs derived from literature review and expert opinion. Outcome performance was measured using risk-adjusted rates of mortality, complications, and readmission as well as hospital length of stay (LOS). Correlation was assessed with Pearson's correlation coefficients. Statistically significant correlations were observed between structure and process QIs (r = 0.33), and process and outcome QIs (r = -0.33 for readmission, r = -0.27 for LOS). Significant positive correlations were also observed between outcome QIs (r = 0.37 for mortality-readmission; r = 0.39 for mortality-LOS and readmission-LOS; r = 0.45 for mortality-complications; r = 0.34 for readmission-complications; 0.63 for complications-LOS). Significant correlations between quality domains observed in this study suggest that Donabedian's structure-process-outcome model is a valid model for evaluating trauma care. Trauma centers that perform well in terms of structure also tend to perform well in terms of clinical processes, which in turn has a favorable influence on patient outcomes

  7. Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models: Appendices

    Science.gov (United States)

    Coppolino, Robert N.

    2018-01-01

    Verification and validation (V&V) is a highly challenging undertaking for SLS structural dynamics models due to the magnitude and complexity of SLS subassemblies and subassemblies. Responses to challenges associated with V&V of Space Launch System (SLS) structural dynamics models are presented in Volume I of this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA). (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976). (3) Mode Consolidation (MC). Finally, (4) Experimental Mode Verification (EMV). This document contains the appendices to Volume I.

  8. Full-Scale Structural and NDI Validation Tests of Bonded Composite Doublers for Commercial Aircraft Applications

    Energy Technology Data Exchange (ETDEWEB)

    Roach, D.; Walkington, P.

    1999-02-01

    Composite doublers, or repair patches, provide an innovative repair technique which can enhance the way aircraft are maintained. Instead of riveting multiple steel or aluminum plates to facilitate an aircraft repair, it is possible to bond a single Boron-Epoxy composite doubler to the damaged structure. Most of the concerns surrounding composite doubler technology pertain to long-term survivability, especially in the presence of non-optimum installations, and the validation of appropriate inspection procedures. This report focuses on a series of full-scale structural and nondestructive inspection (NDI) tests that were conducted to investigate the performance of Boron-Epoxy composite doublers. Full-scale tests were conducted on fuselage panels cut from retired aircraft. These full-scale tests studied stress reductions, crack mitigation, and load transfer capabilities of composite doublers using simulated flight conditions of cabin pressure and axial stress. Also, structures which modeled key aspects of aircraft structure repairs were subjected to extreme tension, shear and bending loads to examine the composite laminate's resistance to disbond and delamination flaws. Several of the structures were loaded to failure in order to determine doubler design margins. Nondestructive inspections were conducted throughout the test series in order to validate appropriate techniques on actual aircraft structure. The test results showed that a properly designed and installed composite doubler is able to enhance fatigue life, transfer load away from damaged structure, and avoid the introduction of new stress risers (i.e. eliminate global reduction in the fatigue life of the structure). Comparisons with test data obtained prior to the doubler installation revealed that stresses in the parent material can be reduced 30%--60% through the use of the composite doubler. Tests to failure demonstrated that the bondline is able to transfer plastic strains into the doubler and that

  9. The validity and clinical utility of structured diagnoses of antisocial personality disorder with forensic patients.

    Science.gov (United States)

    Marin-Avellan, Luisa E; McGauley, Gillian A; Campbell, Colin D; Fonagy, Peter

    2014-08-01

    Current DSM-based instruments for personality disorders (PDs) limit the investigation of the course and outcome of treatment of these disorders. This study examined the validity of the Shedler-Westen Assessment Procedure-200 (SWAP-200) and the Structured Clinical Interview for DSM-IV Axis II PD (SCID-II) in a sample of forensic PD patients. Results based on 66 participants indicated that the SWAP-200 Q-factors reduced the frequency of diagnostic comorbidity of PD categories by half compared with the SCID-II. Only the SWAP-200's Antisocial PD category showed good convergent and discriminant validity with respect to other instruments describing aspects of PD. The validity of the cutoff score for severe antisocial PD was confirmed, and this category predicted severe incidents in the hospital at 1 year of follow-up. A violence risk scale was constructed, which differentiated violent and nonviolent offenders. The results support the validity of the SWAP-200 and its potential clinical utility with forensic PD patients.

  10. A Structured Clinical Interview for Kleptomania (SCI-K): preliminary validity and reliability testing.

    Science.gov (United States)

    Grant, Jon E; Kim, Suck Won; McCabe, James S

    2006-06-01

    Kleptomania presents difficulties in diagnosis for clinicians. This study aimed to develop and test a DSM-IV-based diagnostic instrument for kleptomania. To assess for current kleptomania the Structured Clinical Interview for Kleptomania (SCI-K) was administered to 112 consecutive subjects requesting psychiatric outpatient treatment for a variety of disorders. Reliability and validity were determined. Classification accuracy was examined using the longitudinal course of illness. The SCI-K demonstrated excellent test-retest (Phi coefficient = 0.956 (95% CI = 0.937, 0.970)) and inter-rater reliability (phi coefficient = 0.718 (95% CI = 0.506, 0.848)) in the diagnosis of kleptomania. Concurrent validity was observed with a self-report measure using DSM-IV kleptomania criteria (phi coefficient = 0.769 (95% CI = 0.653, 0.850)). Discriminant validity was observed with a measure of depression (point biserial coefficient = -0.020 (95% CI = -0.205, 0.166)). The SCI-K demonstrated both high sensitivity and specificity based on longitudinal assessment. The SCI-K demonstrated excellent reliability and validity in diagnosing kleptomania in subjects presenting with various psychiatric problems. These findings require replication in larger groups, including non-psychiatric populations, to examine their generalizability. Copyright (c) 2006 John Wiley & Sons, Ltd.

  11. Validation of the French version of the yale food addiction scale: an examination of its factor structure, reliability, and construct validity in a nonclinical sample.

    Science.gov (United States)

    Brunault, Paul; Ballon, Nicolas; Gaillard, Philippe; Réveillère, Christian; Courtois, Robert

    2014-05-01

    The concept of food addiction has recently been proposed by applying the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, Text Revision, criteria for substance dependence to eating behaviour. Food addiction has received increased attention given that it may play a role in binge eating, eating disorders, and the recent increase in obesity prevalence. Currently, there is no psychometrically sound tool for assessing food addiction in French. Our study aimed to test the psychometric properties of a French version of the Yale Food Addiction Scale (YFAS) by establishing its factor structure and construct validity in a nonclinical population. A total of 553 participants were assessed for food addiction (French version of the YFAS) and binge eating behaviour (Bulimic Investigatory Test Edinburgh and Binge Eating Scale). We tested the scale's factor structure (factor analysis for dichotomous data based on tetrachoric correlation coefficients), internal consistency, and construct validity with measures of binge eating. Our results supported a 1-factor structure, which accounted for 54.1% of the variance. This tool had adequate reliability and high construct validity with measures of binge eating in this population, both in its diagnosis and symptom count version. A 2-factor structure explained an additional 9.1% of the variance, and could differentiate between patients with high, compared with low, levels of insight regarding addiction symptoms. In our study, we validated a psychometrically sound French version of the YFAS, both in its symptom count and diagnostic version. Future studies should validate this tool in clinical samples.

  12. Contribution to the validation of thermal ratchetting prevision methods in metallic structures

    International Nuclear Information System (INIS)

    Rakotovelo, A.M.

    1998-03-01

    This work concerns the steady state assessment in the metallic structures subjected to thermomechanical cyclic loadings in biaxial stress state. The effect of the short time mechanical overloads is also investigated. The first chapter is devoted to a bibliographic research concerning the behaviour of the materials and the structures in the cyclic plasticity. Some works relate to the experimental aspect as well as the numerical one for the steady state assessment of such structures are presented. The experimental part of the study is presented in the second chapter. The experimental device was carried out in order to prescribe tension and torsion forces combined with cyclic thermal loading. Some tests was then carried out, among these tests certain include some overloads in tension or torsion. The last chapter describes the numerical calculations using different models (linear isotropic hardening, linear kinematic hardening and elasto-viscoplastic Chaboche's model) and the application of some simplified methods for the ratchetting assessment in the structures. We have considered two categories of methods. The first one is based on an elastic analysis (Bree's diagram, 3 Sm rule, efficiency rule) and the second one combines elastic analysis and elastoplastic analysis of the first cycle (Gatt's and Taleb's methods). The results of this study have enabled: to validate in the biaxial stress state an expression which takes into account the effect of mechanical short time overloads; to test the performances of considered models to describe the evolution of the structure during the first cycle and to take into account the effect of short time overloads. Among the considered models, the elastoplastic Chaboche's model seems to be the most accurate to describe the structure's behaviour during the first cycles; to validate some simplified methods. Certain methods based only on elastic analysis (Bee's diagram and efficiency rule) seem not suitable for the considered kind of

  13. Structural validity and reliability of the healthcare professionals' economic reasoning questionnaire

    Directory of Open Access Journals (Sweden)

    Vuković Mira H.

    2015-01-01

    Full Text Available Introduction: The structure of healthcare professionals' economic reasoning (HPER is still unknown. The aim: The structural validity and the reliability of the HPER questionnaire were evaluated. Methods: The psychometric study about evaluation of the HPER factors was conducted. The healthcare professionals (physicians, dentists, pharmacists that are employed in healthcare state sector of Republic of Serbia were interviewed. The HPER Questionnaire contained 29 preliminary items. Its structure was evaluated by Principal Component Analysis for categorial and ordinal data. Results: The 9 items that defined seven HPER factors were extracted: (1 the negligence of the cost of quality by the administration and financier; (2 the consideration of the market price and healthcare benefit; (3 market orientation considering patient's requests; (4 the recognition of inadequate resource alocations by non-medical administrative authority; (5 the attitude about redirecting the profit from state to private healthcare sector; (6 the recognition of the unjustified spending by the healthcare professionals and (7 the relationship physician/patient. Conclusion: The HPER-9 Questionnaire has high structural validity and reliability in the HPER measurement.

  14. Validation of diffusion tensor MRI measurements of cardiac microstructure with structure tensor synchrotron radiation imaging.

    Science.gov (United States)

    Teh, Irvin; McClymont, Darryl; Zdora, Marie-Christine; Whittington, Hannah J; Davidoiu, Valentina; Lee, Jack; Lygate, Craig A; Rau, Christoph; Zanette, Irene; Schneider, Jürgen E

    2017-03-10

    Diffusion tensor imaging (DTI) is widely used to assess tissue microstructure non-invasively. Cardiac DTI enables inference of cell and sheetlet orientations, which are altered under pathological conditions. However, DTI is affected by many factors, therefore robust validation is critical. Existing histological validation is intrinsically flawed, since it requires further tissue processing leading to sample distortion, is routinely limited in field-of-view and requires reconstruction of three-dimensional volumes from two-dimensional images. In contrast, synchrotron radiation imaging (SRI) data enables imaging of the heart in 3D without further preparation following DTI. The objective of the study was to validate DTI measurements based on structure tensor analysis of SRI data. One isolated, fixed rat heart was imaged ex vivo with DTI and X-ray phase contrast SRI, and reconstructed at 100 μm and 3.6 μm isotropic resolution respectively. Structure tensors were determined from the SRI data and registered to the DTI data. Excellent agreement in helix angles (HA) and transverse angles (TA) was observed between the DTI and structure tensor synchrotron radiation imaging (STSRI) data, where HA DTI-STSRI  = -1.4° ± 23.2° and TA DTI-STSRI  = -1.4° ± 35.0° (mean ± 1.96 standard deviation across all voxels in the left ventricle). STSRI confirmed that the primary eigenvector of the diffusion tensor corresponds with the cardiomyocyte long-axis across the whole myocardium. We have used STSRI as a novel and high-resolution gold standard for the validation of DTI, allowing like-with-like comparison of three-dimensional tissue structures in the same intact heart free of distortion. This represents a critical step forward in independently verifying the structural basis and informing the interpretation of cardiac DTI data, thereby supporting the further development and adoption of DTI in structure-based electro-mechanical modelling and routine clinical

  15. The Modified Reasons for Smoking Scale: factorial structure, validity and reliability in pregnant smokers.

    Science.gov (United States)

    De Wilde, Katrien Sophie; Tency, Inge; Boudrez, Hedwig; Temmerman, Marleen; Maes, Lea; Clays, Els

    2016-06-01

    Smoking during pregnancy can cause several maternal and neonatal health risks, yet a considerable number of pregnant women continue to smoke. The objectives of this study were to test the factorial structure, validity and reliability of the Dutch version of the Modified Reasons for Smoking Scale (MRSS) in a sample of smoking pregnant women and to understand reasons for continued smoking during pregnancy. A longitudinal design was performed. Data of 97 pregnant smokers were collected during prenatal consultation. Structural equation modelling was performed to assess the construct validity of the MRSS: an exploratory factor analysis was conducted, followed by a confirmatory factor analysis.Test-retest reliability (addiction, pleasure, habit and social function. Results for internal consistency and test-retest reliability were good to acceptable. There were significant associations of nicotine dependence with tension reduction and addiction and of daily consumption with addiction and habit. Validity and reliability of the MRSS were shown in a sample of pregnant smokers. Tension reduction was the most important reason for continued smoking, followed by pleasure and addiction. Although the score for nicotine dependence was low, addiction was an important reason for continued smoking during pregnancy; therefore, nicotine replacement therapy could be considered. Half of the respondents experienced depressive symptoms. Hence, it is important to identify those women who need more specialized care, which can include not only smoking cessation counselling but also treatment for depression. © 2016 John Wiley & Sons, Ltd.

  16. Determination and validation of mTOR kinase-domain 3D structure by homology modeling

    Directory of Open Access Journals (Sweden)

    Lakhlili W

    2015-07-01

    Full Text Available Wiame Lakhlili,1 Gwénaël Chevé,2 Abdelaziz Yasri,2 Azeddine Ibrahimi1 1Laboratoire de Biotechnologie (MedBiotech, Faculté de Médecine et de Pharmacie de Rabat, Université Mohammed V de Rabat, Rabat, Morroco; 2OriBase Pharma, Cap Gamma, Parc Euromédecine, Montpellier, France Abstract: The AKT/mammalian target of rapamycin (mTOR pathway is considered as one of the commonly activated and deregulated signaling pathways in human cancer. mTOR is associated with other proteins in two molecular complexes: mTOR complex 1/Raptor and the mTOR complex 2/Rictor. Using the crystal structure of the related lipid kinase PI3Kγ, we built a model of the catalytic region of mTOR. The modeling of the three-dimensional (3D structure of the mTOR was performed by homology modeling program SWISS-MODEL. The quality and validation of the obtained model were performed using PROCHECK and PROVE softwares. The overall stereochemical property of the protein was assessed by the Ramachandran plot. The model validation was also done by docking of known inhibitors. In this paper, we describe and validate a 3D model for the mTOR catalytic site.Keywords: mTOR, homology modeling, mTOR kinase-domain, docking

  17. 3D structure tensor analysis of light microscopy data for validating diffusion MRI.

    Science.gov (United States)

    Khan, Ahmad Raza; Cornea, Anda; Leigland, Lindsey A; Kohama, Steven G; Jespersen, Sune Nørhøj; Kroenke, Christopher D

    2015-05-01

    Diffusion magnetic resonance imaging (d-MRI) is a powerful non-invasive and non-destructive technique for characterizing brain tissue on the microscopic scale. However, the lack of validation of d-MRI by independent experimental means poses an obstacle to accurate interpretation of data acquired using this method. Recently, structure tensor analysis has been applied to light microscopy images, and this technique holds promise to be a powerful validation strategy for d-MRI. Advantages of this approach include its similarity to d-MRI in terms of averaging the effects of a large number of cellular structures, and its simplicity, which enables it to be implemented in a high-throughput manner. However, a drawback of previous implementations of this technique arises from it being restricted to 2D. As a result, structure tensor analyses have been limited to tissue sectioned in a direction orthogonal to the direction of interest. Here we describe the analytical framework for extending structure tensor analysis to 3D, and utilize the results to analyze serial image "stacks" acquired with confocal microscopy of rhesus macaque hippocampal tissue. Implementation of 3D structure tensor procedures requires removal of sources of anisotropy introduced in tissue preparation and confocal imaging. This is accomplished with image processing steps to mitigate the effects of anisotropic tissue shrinkage, and the effects of anisotropy in the point spread function (PSF). In order to address the latter confound, we describe procedures for measuring the dependence of PSF anisotropy on distance from the microscope objective within tissue. Prior to microscopy, ex vivo d-MRI measurements performed on the hippocampal tissue revealed three regions of tissue with mutually orthogonal directions of least restricted diffusion that correspond to CA1, alveus and inferior longitudinal fasciculus. We demonstrate the ability of 3D structure tensor analysis to identify structure tensor orientations that

  18. Design, Manufacturing and Experimental Validation of Optical Fiber Sensors Based Devices for Structural Health Monitoring

    Directory of Open Access Journals (Sweden)

    Angela CORICCIATI

    2016-06-01

    Full Text Available The use of optical fiber sensors is a promising and rising technique used for Structural Health Monitoring (SHM, because permit to monitor continuously the strain and the temperature of the structure where they are applied. In the present paper three different types of smart devices, that are composite materials with an optical fiber sensor embedded inside them during the manufacturing process, are described: Smart Patch, Smart Rebar and Smart Textile, which are respectively a plate for local exterior intervention, a rod for shear and flexural interior reinforcement and a textile for an external whole application. In addition to the monitoring aim, the possible additional function of these devices could be the reinforcement of the structures where they are applied. In the present work, after technology manufacturing description, the experimental laboratory characterization of each device is discussed. At last, smart devices application on medium scale masonry walls and their validation by mechanical tests is described.

  19. The validation of an aerospace structure through the sine vibration analysis

    Directory of Open Access Journals (Sweden)

    Cristina-Diana BRATU

    2018-06-01

    Full Text Available Sinusoidal vibrations represent an ideal case. Technically, it is quite hard to generate pure sinusoidal vibrations without containing other spectral components, called harmonics. Sinusoidal vibrations can appear on propeller, propulsion and turbofan aircraft as well as on helicopters and aerospace structures. They can occur during different phases of flight (take-off, ascent, cruise, landing, etc.. The aim of this article is to present how a structure can be validated by using the mathematical formulas or a FEM software such as PATRAN-NASTRAN (and the equations behind it. As an application, an aerospace structure such as thruster brackets will be analyzed. A sinusoidal signal of 1g was applied on the attachment points and the response was read from the center of gravity of the thrusters.

  20. Structural Design of the DTU-ESA MM-Wave Validation Standard Antenna

    DEFF Research Database (Denmark)

    Branner, Kim; Berring, Peter; Markussen, Christen Malte

    2015-01-01

    A new specially designed antenna to be used for inter-comparisons and validation of antenna test facilities is under development in cooperation between DTU and TICRA under a contract from the European Space Agency. The antenna is designed to be extremely thermally and mechanically stable...... in the range of temperatures 20±5°C under arbitrary orientation in the gravity field. The antenna has a characteristic length of approximately 500mm. And in order to obtain very low measuring error, the allowable deformations of the reflector and feeds are down to 2.5μm. The antenna is modelled structurally...... is connected via a glued contact formulation in MSC.MARC. Because of the size and the complexity of the model a computer cluster is applied to solve the analyses. This paper describes the structural solution to meet these extremely strict stability requirements and the structural analyses done in order...

  1. Boiling points of halogenated aliphatic compounds: a quantitative structure-property relationship for prediction and validation.

    Science.gov (United States)

    Oberg, Tomas

    2004-01-01

    Halogenated aliphatic compounds have many technical uses, but substances within this group are also ubiquitous environmental pollutants that can affect the ozone layer and contribute to global warming. The establishment of quantitative structure-property relationships is of interest not only to fill in gaps in the available database but also to validate experimental data already acquired. The three-dimensional structures of 240 compounds were modeled with molecular mechanics prior to the generation of empirical descriptors. Two bilinear projection methods, principal component analysis (PCA) and partial-least-squares regression (PLSR), were used to identify outliers. PLSR was subsequently used to build a multivariate calibration model by extracting the latent variables that describe most of the covariation between the molecular structure and the boiling point. Boiling points were also estimated with an extension of the group contribution method of Stein and Brown.

  2. Portuguese validation of the Short Health Anxiety Inventory: Factor structure, reliability, and factor invariance.

    Science.gov (United States)

    Morales, Alexandra; Reis, Sibília; Espada, José P; Orgilés, Mireia

    2016-09-01

    The Short Health Anxiety Inventory is a brief instrument to assess health anxiety widely used across countries; however, no validated version is available for Portuguese-speaking population. Factorial structure, reliability, and equivalency factor with the Spanish version were analyzed with Portuguese adolescents aged 14-18 years. A Portuguese adolescent cohort ( N = 629) and a comparative Spanish adolescent cohort ( N = 1502) were evaluated. The original two-factor version was the best fitting model for the Portuguese version. The reliability was excellent. Complete measurement invariance across both countries was supported. The Portuguese version of the Short Health Anxiety Inventory is a valid screening inventory to assess health anxiety in adolescents.

  3. Reliability, convergent validity and factor structure of the DASS-21 in a sample of Vietnamese adolescents.

    Science.gov (United States)

    Le, Minh Thi Hong; Tran, Thach Duc; Holton, Sara; Nguyen, Huong Thanh; Wolfe, Rory; Fisher, Jane

    2017-01-01

    To assess the internal consistency, latent structure and convergent validity of the Depression, Anxiety and Stress Scale-21 (DASS-21) among adolescents in Vietnam. An anonymous, self-completed questionnaire was conducted among 1,745 high school students in Hanoi, Vietnam between October, 2013 and January, 2014. Confirmatory factor analyses were performed to assess the latent structure of the DASS-21. Factorial invariance between girls and boys was examined. Cronbach alphas and correlation coefficients between DASS-21 factor scores and the domain scores of the Duke Health Profile Adolescent Vietnamese validated version (ADHP-V) were calculated to assess DASS-21 internal consistency and convergent validity. A total of 1,606/ 1,745 (92.6%) students returned the questionnaire. Of those, 1,387 students provided complete DASS-21 data. The scale demonstrated adequate internal consistency (Cronbach α: 0.761 to 0.906). A four-factor model showed the best fit to the data. Items loaded significantly on a common general distress factor, the depression, and the anxiety factors, but few on the stress factor (pDASS-21 convergent validity was confirmed with moderate correlation coefficients (-0.47 to -0.66) between its factor scores and the ADHP-V mental health related domains. The DASS-21 is reliable and suitable for use to assess symptoms of common mental health problems, especially depression and anxiety among Vietnamese adolescents. However, its ability in detecting stress among these adolescents may be limited. Further research is warrant to explore these results.

  4. Reliability, convergent validity and factor structure of the DASS-21 in a sample of Vietnamese adolescents.

    Directory of Open Access Journals (Sweden)

    Minh Thi Hong Le

    Full Text Available To assess the internal consistency, latent structure and convergent validity of the Depression, Anxiety and Stress Scale-21 (DASS-21 among adolescents in Vietnam.An anonymous, self-completed questionnaire was conducted among 1,745 high school students in Hanoi, Vietnam between October, 2013 and January, 2014. Confirmatory factor analyses were performed to assess the latent structure of the DASS-21. Factorial invariance between girls and boys was examined. Cronbach alphas and correlation coefficients between DASS-21 factor scores and the domain scores of the Duke Health Profile Adolescent Vietnamese validated version (ADHP-V were calculated to assess DASS-21 internal consistency and convergent validity.A total of 1,606/ 1,745 (92.6% students returned the questionnaire. Of those, 1,387 students provided complete DASS-21 data. The scale demonstrated adequate internal consistency (Cronbach α: 0.761 to 0.906. A four-factor model showed the best fit to the data. Items loaded significantly on a common general distress factor, the depression, and the anxiety factors, but few on the stress factor (p<0.05. DASS-21 convergent validity was confirmed with moderate correlation coefficients (-0.47 to -0.66 between its factor scores and the ADHP-V mental health related domains.The DASS-21 is reliable and suitable for use to assess symptoms of common mental health problems, especially depression and anxiety among Vietnamese adolescents. However, its ability in detecting stress among these adolescents may be limited. Further research is warrant to explore these results.

  5. Synthesis, crystal structure and charge-distribution validation of β-Na4Cu(MoO43 adopting the alluadite structure-type

    Directory of Open Access Journals (Sweden)

    Wassim Dridi

    2016-08-01

    Full Text Available Single crystals of a new variety of tetrasodium copper(II tris[molybdate(VI], Na4Cu(MoO43, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na2Mo3O14 parallel to the (100 plane, which are linked by MoO4 tetrahedra, forming a three-dimensional framework containing two types of hexagonal channels in which Na+ cations reside. The Cu2+ and Na2+ cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2 and another Na (site symmetry -1 atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO44 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS and charge-distribution CHARDI methods. β-Na4Cu(MoO43 is compared and discussed with the K4Cu(MoO43 and α-Na4Cu(MoO43 structures.

  6. DEVELOPMENT AND VALIDATION OF NUMERICAL METHOD FOR STRENGTH ANALYSIS OF LATTICE COMPOSITE FUSELAGE STRUCTURES

    Directory of Open Access Journals (Sweden)

    2016-01-01

    Full Text Available Lattice composite fuselage structures are developed as an alternative to conventional composite structures based on laminated skin and stiffeners. Structure layout of lattice structures allows to realize advantages of current composite materials to a maximal extent, at the same time minimizing their main shortcomings, that allows to provide higher weight efficiency for these structures in comparison with conventional analogues.Development and creation of lattice composite structures requires development of novel methods of strength anal- ysis, as conventional methods, as a rule, are aiming to strength analysis of thin-walled elements and do not allow to get confident estimation of local strength of high-loaded unidirectional composite ribs.In the present work the method of operative strength analysis of lattice composite structure is presented, based onspecialized FE-models of unidirectional composite ribs and their intersections. In the frames of the method, every rib is modeled by a caisson structure, consisting of arbitrary number of flanges and webs, modeled by membrane finite elements. Parameters of flanges and webs are calculated automatically from the condition of stiffness characteristics equality of real rib and the model. This method allows to perform local strength analysis of high-loaded ribs of lattice structure without use of here-dimensional finite elements, that allows to shorten time of calculations and sufficiently simplify the procedure of analysis of results of calculations.For validation of the suggested method, the results of experimental investigations of full-scale prototype of shell of lattice composite fuselage section have been used. The prototype of the lattice section was manufactured in CRISM and tested in TsAGI within the frames of a number of Russian and International scientific projects. The results of validation have shown that the suggested method allows to provide high operability of strength analysis, keeping

  7. Impact of Cross-Axis Structural Dynamics on Validation of Linear Models for Space Launch System

    Science.gov (United States)

    Pei, Jing; Derry, Stephen D.; Zhou Zhiqiang; Newsom, Jerry R.

    2014-01-01

    A feasibility study was performed to examine the advisability of incorporating a set of Programmed Test Inputs (PTIs) during the Space Launch System (SLS) vehicle flight. The intent of these inputs is to provide validation to the preflight models for control system stability margins, aerodynamics, and structural dynamics. During October 2009, Ares I-X program was successful in carrying out a series of PTI maneuvers which provided a significant amount of valuable data for post-flight analysis. The resulting data comparisons showed excellent agreement with the preflight linear models across the frequency spectrum of interest. However unlike Ares I-X, the structural dynamics associated with the SLS boost phase configuration are far more complex and highly coupled in all three axes. This presents a challenge when implementing this similar system identification technique to SLS. Preliminary simulation results show noticeable mismatches between PTI validation and analytical linear models in the frequency range of the structural dynamics. An alternate approach was examined which demonstrates the potential for better overall characterization of the system frequency response as well as robustness of the control design.

  8. Development and validation of a strain-based Structural Health Monitoring system

    Science.gov (United States)

    Katsikeros, Ch. E.; Labeas, G. N.

    2009-02-01

    An innovative Structural Health Monitoring (SHM) methodology, based on structural strain measurements, which are processed by a back-propagation feed-forward Artificial Neural Network (ANN), is proposed. The demonstration of the SHM methodology and the identification of its capabilities and drawbacks are performed by applying the method in the prediction of fatigue damage states of a typical aircraft cracked lap-joint structure. An ANN of suitable architecture is developed and trained by numerically generated strain data sets, which have been preprocessed by Fast Fourier Transformation (FFT) for the extraction of the Fourier Descriptors (FDs). The Finite Element (FE) substructuring technique is implemented in the stress and strain analysis of the lap-joint structure, due to its efficiency in the calculation of the numerous strain data, which are necessary for the ANN training. The trained network is successfully validated, as it is proven capable to accurately predict crack positions and lengths of a lap-joint structure, which is damaged by fatigue cracks of unknown location and extent. The proposed methodology is applicable to the identification of more complex types of damage or to other critical structural locations, as its basic concept is generic.

  9. Experimental validation of the fluid–structure interaction simulation of a bioprosthetic aortic heart valve

    International Nuclear Information System (INIS)

    Kemp, I.; Dellimore, K.; Rodriguez, R.; Scheffer, C.; Blaine, D.; Weich, H.; Doubell, A.

    2013-01-01

    Experiments performed on a 19 mm diameter bioprosthetic valve were used to successfully validate the fluid–structure interaction (FSI) simulation of an aortic valve at 72 bpm. The FSI simulation was initialized via a novel approach utilizing a Doppler sonogram of the experimentally tested valve. Using this approach very close quantitative agreement (≤12.5 %) between the numerical predictions and experimental values for several key valve performance parameters, including the peak systolic transvalvular pressure gradient, rapid valve opening time and rapid valve closing time, was obtained. The predicted valve leaflet kinematics during opening and closing were also in good agreement with the experimental measurements.

  10. Examination of the Structural, Convergent, and Incremental Validity of the Reynolds Intellectual Assessment Scales (RIAS) with a Clinical Sample

    Science.gov (United States)

    Nelson, Jason M.; Canivez, Gary L.

    2012-01-01

    Empirical examination of the Reynolds Intellectual Assessment Scales (RIAS; C. R. Reynolds & R. W. Kamphaus, 2003a) has produced mixed results regarding its internal structure and convergent validity. Various aspects of validity of RIAS scores with a sample (N = 521) of adolescents and adults seeking psychological evaluations at a university-based…

  11. Creating a Test-Validated Finite-Element Model of the X-56A Aircraft Structure

    Science.gov (United States)

    Pak, Chan-Gi; Truong, Samson

    2014-01-01

    Small modeling errors in a finite-element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of the X-56A Multi-Utility Technology Testbed aircraft is the flight demonstration of active flutter suppression and, therefore, in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of the X-56A aircraft. The ground-vibration test-validated structural dynamic finite-element model of the X-56A aircraft is created in this study. The structural dynamic finite-element model of the X-56A aircraft is improved using a model-tuning tool. In this study, two different weight configurations of the X-56A aircraft have been improved in a single optimization run. Frequency and the cross-orthogonality (mode shape) matrix were the primary focus for improvement, whereas other properties such as c.g. location, total weight, and off-diagonal terms of the mass orthogonality matrix were used as constraints. The end result was an improved structural dynamic finite-element model configuration for the X-56A aircraft. Improved frequencies and mode shapes in this study increased average flutter speeds of the X-56A aircraft by 7.6% compared to the baseline model.

  12. Creating a Test Validated Structural Dynamic Finite Element Model of the X-56A Aircraft

    Science.gov (United States)

    Pak, Chan-Gi; Truong, Samson

    2014-01-01

    Small modeling errors in the finite element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of the Multi Utility Technology Test-bed, X-56A aircraft, is the flight demonstration of active flutter suppression, and therefore in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of the X-56A aircraft. The ground vibration test-validated structural dynamic finite element model of the X-56A aircraft is created in this study. The structural dynamic finite element model of the X-56A aircraft is improved using a model tuning tool. In this study, two different weight configurations of the X-56A aircraft have been improved in a single optimization run. Frequency and the cross-orthogonality (mode shape) matrix were the primary focus for improvement, while other properties such as center of gravity location, total weight, and offdiagonal terms of the mass orthogonality matrix were used as constraints. The end result was a more improved and desirable structural dynamic finite element model configuration for the X-56A aircraft. Improved frequencies and mode shapes in this study increased average flutter speeds of the X-56A aircraft by 7.6% compared to the baseline model.

  13. Reliability and validity of the German version of the Structured Interview of Personality Organization (STIPO)

    Science.gov (United States)

    2013-01-01

    Background The assessment of personality organization and its observable behavioral manifestations, i.e. personality functioning, has a long tradition in psychodynamic psychiatry. Recently, the DSM-5 Levels of Personality Functioning Scale has moved it into the focus of psychiatric diagnostics. Based on Kernberg’s concept of personality organization the Structured Interview of Personality Organization (STIPO) was developed for diagnosing personality functioning. The STIPO covers seven dimensions: (1) identity, (2) object relations, (3) primitive defenses, (4) coping/rigidity, (5) aggression, (6) moral values, and (7) reality testing and perceptual distortions. The English version of the STIPO has previously revealed satisfying psychometric properties. Methods Validity and reliability of the German version of the 100-item instrument have been evaluated in 122 psychiatric patients. All patients were diagnosed according to the Diagnostic and Statistical Manual for Mental Disorders (DSM-IV) and were assessed by means of the STIPO. Moreover, all patients completed eight questionnaires that served as criteria for external validity of the STIPO. Results Interrater reliability varied between intraclass correlations of .89 and 1.0, Crohnbach’s α for the seven dimensions was .69 to .93. All a priori selected questionnaire scales correlated significantly with the corresponding STIPO dimensions. Patients with personality disorder (PD) revealed significantly higher STIPO scores (i.e. worse personality functioning) than patients without PD; patients cluster B PD showed significantly higher STIPO scores than patients with cluster C PD. Conclusions Interrater reliability, Crohnbach’s α, concurrent validity, and differential validity of the STIPO are satisfying. The STIPO represents an appropriate instrument for the assessment of personality functioning in clinical and research settings. PMID:23941404

  14. Feasibility and validity of the structured attention module among economically disadvantaged preschool-age children.

    Science.gov (United States)

    Bush, Hillary H; Eisenhower, Abbey; Briggs-Gowan, Margaret; Carter, Alice S

    2015-01-01

    Rooted in the theory of attention put forth by Mirsky, Anthony, Duncan, Ahearn, and Kellam (1991), the Structured Attention Module (SAM) is a developmentally sensitive, computer-based performance task designed specifically to assess sustained selective attention among 3- to 6-year-old children. The current study addressed the feasibility and validity of the SAM among 64 economically disadvantaged preschool-age children (mean age = 58 months; 55% female); a population known to be at risk for attention problems and adverse math performance outcomes. Feasibility was demonstrated by high completion rates and strong associations between SAM performance and age. Principal Factor Analysis with rotation produced robust support for a three-factor model (Accuracy, Speed, and Endurance) of SAM performance, which largely corresponded with existing theorized models of selective and sustained attention. Construct validity was evidenced by positive correlations between SAM Composite scores and all three SAM factors and IQ, and between SAM Accuracy and sequential memory. Value-added predictive validity was not confirmed through main effects of SAM on math performance above and beyond age and IQ; however, significant interactions by child sex were observed: Accuracy and Endurance both interacted with child sex to predict math performance. In both cases, the SAM factors predicted math performance more strongly for girls than for boys. There were no overall sex differences in SAM performance. In sum, the current findings suggest that interindividual variation in sustained selective attention, and potentially other aspects of attention and executive function, among young, high-risk children can be captured validly with developmentally sensitive measures.

  15. Validity and reliability of the Structured Clinical Interview for Depersonalization–Derealization Spectrum (SCI-DER

    Directory of Open Access Journals (Sweden)

    Marco Mula

    2008-08-01

    Full Text Available Marco Mula, Stefano Pini, Simona Calugi, Matteo Preve, Matteo Masini, Ilaria Giovannini, Ciro Conversano, Paola Rucci, Giovanni B CassanoDepartment of Psychiatry, Neurobiology, Pharmacology and Biotechnologies, University of Pisa, ItalyAbstract: This study evaluates the validity and reliability of a new instrument developed to assess symptoms of depersonalization: the Structured Clinical Interview for the Depersonalization-Derealization Spectrum (SCI-DER. The instrument is based on a spectrum model that emphasizes soft-signs, sub-threshold syndromes as well as clinical and subsyndromal manifestations. Items of the interview include, in addition to DSM-IV criteria for depersonalization, a number of features derived from clinical experience and from a review of phenomenological descriptions. Study participants included 258 consecutive patients with mood and anxiety disorders, 16.7% bipolar I disorder, 18.6% bipolar II disorder, 32.9% major depression, 22.1% panic disorder, 4.7% obsessive compulsive disorder, and 1.5% generalized anxiety disorder; 2.7% patients were also diagnosed with depersonalization disorder. A comparison group of 42 unselected controls was enrolled at the same site. The SCI-DER showed excellent reliability and good concurrent validity with the Dissociative Experiences Scale. It significantly discriminated subjects with any diagnosis of mood and anxiety disorders from controls and subjects with depersonalization disorder from controls. The hypothesized structure of the instrument was confirmed empirically.Keywords: depersonalization, derealization, mood disorders, anxiety disorders

  16. The reasons for betel-quid chewing scale: assessment of factor structure, reliability, and validity.

    Science.gov (United States)

    Little, Melissa A; Pokhrel, Pallav; Murphy, Kelle L; Kawamoto, Crissy T; Suguitan, Gil S; Herzog, Thaddeus A

    2014-06-03

    Despite the fact that betel-quid is one of the most commonly used psychoactive substances worldwide and a major risk-factor for head-and-neck cancer incidence and mortality globally, currently no standardized instrument is available to assess the reasons why individuals chew betel-quid. A measure to assess reasons for chewing betel-quid could help researchers and clinicians develop prevention and treatment strategies. In the current study, we sought to develop and evaluate a self-report instrument for assessing the reasons for chewing betel quid which contributes toward the goal of developing effective interventions to reduce betel quid chewing in vulnerable populations. The current study assessed the factor structure, reliability and convergent validity of the Reasons for Betel-quid Chewing Scale (RBCS), a newly developed 10 item measure adapted from several existing "reasons for smoking" scales. The measure was administered to 351 adult betel-quid chewers in Guam. Confirmatory factor analysis of this measure revealed a three factor structure: reinforcement, social/cultural, and stimulation. Further tests revealed strong support for the internal consistency and convergent validity of this three factor measure. The goal of designing an intervention to reduce betel-quid chewing necessitates an understanding of why chewers chew; the current study makes considerable contributions towards that objective.

  17. Validity of the growth model of the 'computerized visual perception assessment tool for Chinese characters structures'.

    Science.gov (United States)

    Wu, Huey-Min; Li, Cheng-Hsaun; Kuo, Bor-Chen; Yang, Yu-Mao; Lin, Chin-Kai; Wan, Wei-Hsiang

    2017-08-01

    Morphological awareness is the foundation for the important developmental skills involved with vocabulary, as well as understanding the meaning of words, orthographic knowledge, reading, and writing. Visual perception of space and radicals in two-dimensional positions of Chinese characters' morphology is very important in identifying Chinese characters. The important predictive variables of special and visual perception in Chinese characters identification were investigated in the growth model in this research. The assessment tool is the "Computerized Visual Perception Assessment Tool for Chinese Characters Structures" developed by this study. There are two constructs, basic stroke and character structure. In the basic stroke, there are three subtests of one, two, and more than three strokes. In the character structure, there are three subtests of single-component character, horizontal-compound character, and vertical-compound character. This study used purposive sampling. In the first year, 551 children 4-6 years old participated in the study and were monitored for one year. In the second year, 388 children remained in the study and the successful follow-up rate was 70.4%. This study used a two-wave cross-lagged panel design to validate the growth model of the basic stroke and the character structure. There was significant correlation of the basic stroke and the character structure at different time points. The abilities in the basic stroke and in the character structure steadily developed over time for preschool children. Children's knowledge of the basic stroke effectively predicted their knowledge of the basic stroke and the character structure. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Brazilian Portuguese version of the Revised Fibromyalgia Impact Questionnaire (FIQR-Br): cross-cultural validation, reliability, and construct and structural validation.

    Science.gov (United States)

    Lupi, Jaqueline Basilio; Carvalho de Abreu, Daniela Cristina; Ferreira, Mariana Candido; Oliveira, Renê Donizeti Ribeiro de; Chaves, Thais Cristina

    2017-08-01

    This study aimed to culturally adapt and validate the Revised Fibromyalgia Impact Questionnaire (FIQR) to Brazilian Portuguese, by the use of analysis of internal consistency, reliability, and construct and structural validity. A total of 100 female patients with fibromyalgia participated in the validation process of the Brazilian Portuguese version of the FIQR (FIQR-Br).The intraclass correlation coefficient (ICC) was used for statistical analysis of reliability (test-retest), Cronbach's alpha for internal consistency, Pearson's rank correlation for construct validity, and confirmatory factor analysis (CFA) for structural validity. It was verified excellent levels of reliability, with ICC greater than 0.75 for all questions and domains of the FIQR-Br. For internal consistency, alpha values greater than 0.70 for the items and domains of the questionnaire were observed. Moderate (0.40  0.70) correlations were observed for the scores of domains and total score between the FIQR-Br and FIQ-Br. The structure of the three domains of the FIQR-Br was confirmed by CFA. The results of this study suggest that that the FIQR-Br is a reliable and valid instrument for assessing fibromyalgia-related impact, and supports its use in clinical settings and research. The structure of the three domains of the FIQR-Br was also confirmed. Implications for Rehabilitation Fibromyalgia is a chronic musculoskeletal disorder characterized by widespread and diffuse pain, fatigue, sleep disturbances, and depression. The disease significantly impairs patients' quality of life and can be highly disabling. To be used in multicenter research efforts, the Revised Fibromyalgia Impact Questionnaire (FIQR) must be cross-culturally validated and psychometrically tested. This paper will make available a new version of the FIQR-Br since another version already exists, but there are concerns about its measurement properties. The availability of an instrument adapted to and validated for Brazilian

  19. Fluid-structure interaction in non-rigid pipeline systems - large scale validation experiments

    International Nuclear Information System (INIS)

    Heinsbroek, A.G.T.J.; Kruisbrink, A.C.H.

    1993-01-01

    The fluid-structure interaction computer code FLUSTRIN, developed by DELFT HYDRAULICS, enables the user to determine dynamic fluid pressures, structural stresses and displacements in a liquid-filled pipeline system under transient conditions. As such, the code is a useful tool to process and mechanical engineers in the safe design and operation of pipeline systems in nuclear power plants. To validate FLUSTRIN, experiments have been performed in a large scale 3D test facility. The test facility consists of a flexible pipeline system which is suspended by wires, bearings and anchors. Pressure surges, which excite the system, are generated by a fast acting shut-off valve. Dynamic pressures, structural displacements and strains (in total 70 signals) have been measured under well determined initial and boundary conditions. The experiments have been simulated with FLUSTRIN, which solves the acoustic equations using the method of characteristics (fluid) and the finite element method (structure). The agreement between experiments and simulations is shown to be good: frequencies, amplitudes and wave phenomena are well predicted by the numerical simulations. It is demonstrated that an uncoupled water hammer computation would render unreliable and useless results. (author)

  20. Experimental validation of tape springs to be used as thin-walled space structures

    Science.gov (United States)

    Oberst, S.; Tuttle, S. L.; Griffin, D.; Lambert, A.; Boyce, R. R.

    2018-04-01

    With the advent of standardised launch geometries and off-the-shelf payloads, space programs utilising nano-satellite platforms are growing worldwide. Thin-walled, flexible and self-deployable structures are commonly used for antennae, instrument booms or solar panels owing to their lightweight, ideal packaging characteristics and near zero energy consumption. However their behaviour in space, in particular in Low Earth Orbits with continually changing environmental conditions, raises many questions. Accurate numerical models, which are often not available due to the difficulty of experimental testing under 1g-conditions, are needed to answer these questions. In this study, we present on-earth experimental validations, as a starting point to study the response of a tape spring as a representative of thin-walled flexible structures under static and vibrational loading. Material parameters of tape springs in a singly (straight, open cylinder) and a doubly curved design, are compared to each other by combining finite element calculations, with experimental laser vibrometry within a single and multi-stage model updating approach. While the determination of the Young's modulus is unproblematic, the damping is found to be inversely proportional to deployment length. With updated material properties the buckling instability margin is calculated using different slenderness ratios. Results indicate a high sensitivity of thin-walled structures to miniscule perturbations, which makes proper experimental testing a key requirement for stability prediction on thin-elastic space structures. The doubly curved tape spring provides closer agreement with experimental results than a straight tape spring design.

  1. Prediction of proton chemical shifts in RNA - Their use in structure refinement and validation

    International Nuclear Information System (INIS)

    Cromsigt, Jenny A.M.T.C.; Hilbers, Cees W.; Wijmenga, Sybren S.

    2001-01-01

    An analysis is presented of experimental versus calculated chemical shifts of the non-exchangeable protons for 28 RNA structures deposited in the Protein Data Bank, covering a wide range of structural building blocks. We have used existing models for ring-current and magnetic-anisotropy contributions to calculate the proton chemical shifts from the structures. Two different parameter sets were tried: (i) parameters derived by Ribas-Prado and Giessner-Prettre (GP set) [(1981) J. Mol. Struct.,76, 81-92.]; (ii) parameters derived by Case [(1995) J. Biomol. NMR, 6, 341-346]. Both sets lead to similar results. The detailed analysis was carried using the GP set. The root-mean-square-deviation between the predicted and observed chemical shifts of the complete database is 0.16 ppm with a Pearson correlation coefficient of 0.79. For protons in the usually well-defined A-helix environment these numbers are, 0.08 ppm and 0.96, respectively. As a result of this good correspondence, a reliable analysis could be made of the structural dependencies of the 1 H chemical shifts revealing their physical origin. For example, a down-field shift of either H2' or H3' or both indicates a high-syn/syn χ-angle. In an A-helix it is essentially the 5'-neighbor that affects the chemical shifts of H5, H6 and H8 protons. The H5, H6 and H8 resonances can therefore be assigned in an A-helix on the basis of their observed chemical shifts. In general, the chemical shifts were found to be quite sensitive to structural changes. We therefore propose that a comparison between calculated and observed 1 H chemical shifts is a good tool for validation and refinement of structures derived from NOEs and J-couplings

  2. Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing

    Science.gov (United States)

    Farrell, Kathryn; Oden, J. Tinsley

    2014-07-01

    methods through applications to representative atomic structures and we discuss extensions to the validation process for molecular models of polymer structures encountered in certain semiconductor nanomanufacturing processes. The powerful method of model plausibility as a means for selecting interaction potentials for coarse-grained models is discussed in connection with a coarse-grained hexane molecule. Discussions of how all-atom information is used to construct priors are contained in an appendix.

  3. Validation of a 2-D semi-coupled numerical model for fluid-structure-seabed interaction

    Science.gov (United States)

    Ye, Jianhong; Jeng, Dongsheng; Wang, Ren; Zhu, Changqi

    2013-10-01

    A 2-D semi-coupled model PORO-WSSI 2D (also be referred as FSSI-CAS 2D) for the Fluid-Structure-Seabed Interaction (FSSI) has been developed by employing RANS equations for wave motion in fluid domain, VARANS equations for porous flow in porous structures; and taking the dynamic Biot's equations (known as "u - p" approximation) for soil as the governing equations. The finite difference two-step projection method and the forward time difference method are adopted to solve the RANS, VARANS equations; and the finite element method is adopted to solve the "u - p" approximation. A data exchange port is developed to couple the RANS, VARANS equations and the dynamic Biot's equations together. The analytical solution proposed by Hsu and Jeng (1994) and some experiments conducted in wave flume or geotechnical centrifuge in which various waves involved are used to validate the developed semi-coupled numerical model. The sandy bed involved in these experiments is poro-elastic or poro-elastoplastic. The inclusion of the interaction between fluid, marine structures and poro-elastoplastic seabed foundation is a special point and highlight in this paper, which is essentially different with other previous coupled models The excellent agreement between the numerical results and the experiment data indicates that the developed coupled model is highly reliablefor the FSSI problem.

  4. Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models

    Science.gov (United States)

    Coppolino, Robert N.

    2018-01-01

    Responses to challenges associated with verification and validation (V&V) of Space Launch System (SLS) structural dynamics models are presented in this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA), which has gained acceptance by various principals in the NASA community, defines efficient and accurate FEM modal sensitivity models that are useful in test-analysis correlation and reconciliation and parametric uncertainty studies. (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976), developed to remedy difficulties encountered with the widely used Classical Guyan Reduction (CGR) method, are presented. MGR and HR are particularly relevant for estimation of "body dominant" target modes of shell-type SLS assemblies that have numerous "body", "breathing" and local component constituents. Realities associated with configuration features and "imperfections" cause "body" and "breathing" mode characteristics to mix resulting in a lack of clarity in the understanding and correlation of FEM- and test-derived modal data. (3) Mode Consolidation (MC) is a newly introduced procedure designed to effectively "de-feature" FEM and experimental modes of detailed structural shell assemblies for unambiguous estimation of "body" dominant target modes. Finally, (4) Experimental Mode Verification (EMV) is a procedure that addresses ambiguities associated with experimental modal analysis of complex structural systems. Specifically, EMV directly separates well-defined modal data from spurious and poorly excited modal data employing newly introduced graphical and coherence metrics.

  5. External validation of structure-biodegradation relationship (SBR) models for predicting the biodegradability of xenobiotics.

    Science.gov (United States)

    Devillers, J; Pandard, P; Richard, B

    2013-01-01

    Biodegradation is an important mechanism for eliminating xenobiotics by biotransforming them into simple organic and inorganic products. Faced with the ever growing number of chemicals available on the market, structure-biodegradation relationship (SBR) and quantitative structure-biodegradation relationship (QSBR) models are increasingly used as surrogates of the biodegradation tests. Such models have great potential for a quick and cheap estimation of the biodegradation potential of chemicals. The Estimation Programs Interface (EPI) Suite™ includes different models for predicting the potential aerobic biodegradability of organic substances. They are based on different endpoints, methodologies and/or statistical approaches. Among them, Biowin 5 and 6 appeared the most robust, being derived from the largest biodegradation database with results obtained only from the Ministry of International Trade and Industry (MITI) test. The aim of this study was to assess the predictive performances of these two models from a set of 356 chemicals extracted from notification dossiers including compatible biodegradation data. Another set of molecules with no more than four carbon atoms and substituted by various heteroatoms and/or functional groups was also embodied in the validation exercise. Comparisons were made with the predictions obtained with START (Structural Alerts for Reactivity in Toxtree). Biowin 5 and Biowin 6 gave satisfactorily prediction results except for the prediction of readily degradable chemicals. A consensus model built with Biowin 1 allowed the diminution of this tendency.

  6. Psychometrics and life history strategy: the structure and validity of the High K Strategy Scale.

    Science.gov (United States)

    Copping, Lee T; Campbell, Anne; Muncer, Steven

    2014-03-22

    In this paper, we critically review the conceptualization and implementation of psychological measures of life history strategy associated with Differential K theory. The High K Strategy Scale (HKSS: Giosan, 2006) was distributed to a large British sample (n = 809) with the aim of assessing its factor structure and construct validity in relation to theoretically relevant life history variables: age of puberty, age of first sexual encounter, and number of sexual partners. Exploratory and confirmatory factor analyses indicated that the HKSS in its current form did not show an adequate statistical fit to the data. Modifications to improve fit indicated four correlated factors (personal capital, environmental stability, environmental security, and social capital). Later puberty in women was positively associated with measures of the environment and personal capital. Among men, contrary to Differential K predictions but in line with female mate preferences, earlier sexual debut and more sexual partners were positively associated with more favorable environments and higher personal and social capital. We raise concerns about the use of psychometric indicators of lifestyle and personality as proxies for life history strategy when they have not been validated against objective measures derived from contemporary life history theory and when their status as causes, mediators, or correlates has not been investigated.

  7. Development and validation of a structured query language implementation of the Elixhauser comorbidity index.

    Science.gov (United States)

    Epstein, Richard H; Dexter, Franklin

    2017-07-01

    Comorbidity adjustment is often performed during outcomes and health care resource utilization research. Our goal was to develop an efficient algorithm in structured query language (SQL) to determine the Elixhauser comorbidity index. We wrote an SQL algorithm to calculate the Elixhauser comorbidities from Diagnosis Related Group and International Classification of Diseases (ICD) codes. Validation was by comparison to expected comorbidities from combinations of these codes and to the 2013 Nationwide Readmissions Database (NRD). The SQL algorithm matched perfectly with expected comorbidities for all combinations of ICD-9 or ICD-10, and Diagnosis Related Groups. Of 13 585 859 evaluable NRD records, the algorithm matched 100% of the listed comorbidities. Processing time was ∼0.05 ms/record. The SQL Elixhauser code was efficient and computationally identical to the SAS algorithm used for the NRD. This algorithm may be useful where preprocessing of large datasets in a relational database environment and comorbidity determination is desired before statistical analysis. A validated SQL procedure to calculate Elixhauser comorbidities and the van Walraven index from ICD-9 or ICD-10 discharge diagnosis codes has been published. © The Author 2017. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  8. EMOTIONAL CREATIVITY INVENTORY: FACTOR STRUCTURE, RELIABILITY AND VALIDITY IN A GEORGIAN-SPEAKING POPULATION

    Directory of Open Access Journals (Sweden)

    Khatuna Martsksvishvili

    2017-12-01

    Full Text Available The concept of emotional creativity is based on a social constructivist theory of emotion and refers to an individual’s ability to experience and express novel, sincere, and effective mixtures of emotions. The present research examines the psychometric properties of the Georgian version of Emotional Creativity Inventory (G-ECI; Averill, 1999. 834 individuals across five studies completed the G-ECI. Results from exploratory factor analysis indicate that the factor structure of the original ECI broadly replicates in the Georgian translation. The Cronbach’s alpha reliabilities of the G-ECI scales are mostly acceptable. There are significant gender differences. Examining the construct validity of G-ECI with other constructs (namely, with emotional intelligence, creativity and flow showed the expected relationships. In conclusion, the Georgian version of the emotional creativity inventory seems well suited for future research purposes.

  9. Structural validity of the Pittsburgh Sleep Quality Index in Chinese undergraduate students: A confirmatory factor analysis

    Directory of Open Access Journals (Sweden)

    Suran Guo

    2016-08-01

    Full Text Available The purpose of this study was to examine the structural validity of the Pittsburgh Sleep Quality Index (PSQI in Chinese undergraduate students. A cross-sectional questionnaire survey with 631 Chinese undergraduate students was conducted, and the questionnaire package included a measure of demographic characteristics, Pittsburgh Sleep Quality Index (PSQI, Chinese editions of Center for Epidemiologic Studies-Depression, State- Trait Anxiety Inventory, Rumination Response Scale, and Perceived Social Support Scale. Results showed that the item use of sleep medicine was not suitable for use with this population, that a two-factor model provided the best fit to the data as assessed through confirmatory factor analysis, and that other indices were consistently correlated with the sleep quality but not the sleep efficiency factor.

  10. [Evaluation of Significant Autobiographical Memories Scale: Design and structural validation at an exploratory level].

    Science.gov (United States)

    Lolich, María; Azzollini, Susana

    2016-11-01

    Personal memories are multimodal cognitive representations. Nowadays, psychometric instruments which aim to assess signifcant memories phenomenological features are scarce. Consequently, the Evaluation of Signifcant Autobiographical Memories Scale was constructed and structural validated at an exploratory level. A total of 404 individuals from Buenos Aires city (Argentina) participated in the research. Initially, an expert judgment and a pilot study administration were carried out. Next, a homogeneity and a principal components analysis were implemented. To assess the scale reliability, Cronbach's alphas coefficients were analyzed. The fnal version has 30 Likert response items gathered in 8 dimensions. Satisfactory psychometric proprieties were obtained - internal consistency of .892 and a total explained variance of 65.78%. The scale provides two main scores regarding the total quantity and intensity of the phenomenological components as well as a partial score per each dimension. It is stated that the test will prove to be useful in the research feld as well as in the clinical area.

  11. Dynamic Risk Assessment of Sexual Offenders: Validity and Dimensional Structure of the Stable-2007.

    Science.gov (United States)

    Etzler, Sonja; Eher, Reinhard; Rettenberger, Martin

    2018-02-01

    In this study, the predictive and incremental validity of the Stable-2007 beyond the Static-99 was evaluated in an updated sample of N = 638 adult male sexual offenders followed-up for an average of M = 8.2 years. Data were collected at the Federal Evaluation Center for Violent and Sexual Offenders (FECVSO) in Austria within a prospective-longitudinal research design. Scores and risk categories of the Static-99 (AUC = .721; p risk categories contributed incrementally to the prediction of sexual recidivism beyond the Static-99. Analyzing the dimensional structure of the Stable-2007 yielded three factors, named Antisociality, Sexual Deviance, and Hypersexuality. Antisociality and Sexual Deviance were significant predictors for sexual recidivism. Sexual Deviance was negatively associated with non-sexual violent recidivism. Comparisons with latent dimensions of other risk assessment instruments are made and implications for applied risk assessment are discussed.

  12. Factorial Structure and Preliminary Validation of the Schema Mode Inventory for Eating Disorders (SMI-ED).

    Science.gov (United States)

    Simpson, Susan G; Pietrabissa, Giada; Rossi, Alessandro; Seychell, Tahnee; Manzoni, Gian Mauro; Munro, Calum; Nesci, Julian B; Castelnuovo, Gianluca

    2018-01-01

    Objective: The aim of this study was to examine the psychometric properties and factorial structure of the Schema Mode Inventory for Eating Disorders (SMI-ED) in a disordered eating population. Method: 573 participants with disordered eating patterns as measured by the Eating Disorder Examination Questionnaire (EDE-Q) completed the 190-item adapted version of the Schema Mode Inventory (SMI). The new SMI-ED was developed by clinicians/researchers specializing in the treatment of eating disorders, through combining items from the original SMI with a set of additional questions specifically representative of the eating disorder population. Psychometric testing included Confirmatory Factor Analysis (CFA) and internal consistency (Cronbach's α). Multivariate Analyses of Covariance (MANCOVA) was also run to test statistical differences between the EDE-Q subscales on the SMI-ED modes, while controlling for possible confounding variables. Results: Factorial analysis confirmed an acceptable 16-related-factors solution for the SMI-ED, thus providing preliminary evidence for the adequate validity of the new measure based on internal structure. Concurrent validity was also established through moderate to high correlations on the modes most relevant to eating disorders with EDE-Q subscales. This study represents the first step in creating a psychometrically sound instrument for measuring schema modes in eating disorders, and provides greater insight into the relevant schema modes within this population. Conclusion: This research represents an important preliminary step toward understanding and labeling the schema mode model for this clinical group. Findings from the psychometric evaluation of SMI-ED suggest that this is a useful tool which may further assist in the measurement and conceptualization of schema modes in this population.

  13. Factorial Structure and Preliminary Validation of the Schema Mode Inventory for Eating Disorders (SMI-ED

    Directory of Open Access Journals (Sweden)

    Susan G. Simpson

    2018-04-01

    Full Text Available Objective: The aim of this study was to examine the psychometric properties and factorial structure of the Schema Mode Inventory for Eating Disorders (SMI-ED in a disordered eating population.Method: 573 participants with disordered eating patterns as measured by the Eating Disorder Examination Questionnaire (EDE-Q completed the 190-item adapted version of the Schema Mode Inventory (SMI. The new SMI-ED was developed by clinicians/researchers specializing in the treatment of eating disorders, through combining items from the original SMI with a set of additional questions specifically representative of the eating disorder population. Psychometric testing included Confirmatory Factor Analysis (CFA and internal consistency (Cronbach's α. Multivariate Analyses of Covariance (MANCOVA was also run to test statistical differences between the EDE-Q subscales on the SMI-ED modes, while controlling for possible confounding variables.Results: Factorial analysis confirmed an acceptable 16-related-factors solution for the SMI-ED, thus providing preliminary evidence for the adequate validity of the new measure based on internal structure. Concurrent validity was also established through moderate to high correlations on the modes most relevant to eating disorders with EDE-Q subscales. This study represents the first step in creating a psychometrically sound instrument for measuring schema modes in eating disorders, and provides greater insight into the relevant schema modes within this population.Conclusion: This research represents an important preliminary step toward understanding and labeling the schema mode model for this clinical group. Findings from the psychometric evaluation of SMI-ED suggest that this is a useful tool which may further assist in the measurement and conceptualization of schema modes in this population.

  14. Factorial Structure and Preliminary Validation of the Schema Mode Inventory for Eating Disorders (SMI-ED)

    Science.gov (United States)

    Simpson, Susan G.; Pietrabissa, Giada; Rossi, Alessandro; Seychell, Tahnee; Manzoni, Gian Mauro; Munro, Calum; Nesci, Julian B.; Castelnuovo, Gianluca

    2018-01-01

    Objective: The aim of this study was to examine the psychometric properties and factorial structure of the Schema Mode Inventory for Eating Disorders (SMI-ED) in a disordered eating population. Method: 573 participants with disordered eating patterns as measured by the Eating Disorder Examination Questionnaire (EDE-Q) completed the 190-item adapted version of the Schema Mode Inventory (SMI). The new SMI-ED was developed by clinicians/researchers specializing in the treatment of eating disorders, through combining items from the original SMI with a set of additional questions specifically representative of the eating disorder population. Psychometric testing included Confirmatory Factor Analysis (CFA) and internal consistency (Cronbach's α). Multivariate Analyses of Covariance (MANCOVA) was also run to test statistical differences between the EDE-Q subscales on the SMI-ED modes, while controlling for possible confounding variables. Results: Factorial analysis confirmed an acceptable 16-related-factors solution for the SMI-ED, thus providing preliminary evidence for the adequate validity of the new measure based on internal structure. Concurrent validity was also established through moderate to high correlations on the modes most relevant to eating disorders with EDE-Q subscales. This study represents the first step in creating a psychometrically sound instrument for measuring schema modes in eating disorders, and provides greater insight into the relevant schema modes within this population. Conclusion: This research represents an important preliminary step toward understanding and labeling the schema mode model for this clinical group. Findings from the psychometric evaluation of SMI-ED suggest that this is a useful tool which may further assist in the measurement and conceptualization of schema modes in this population. PMID:29740379

  15. Development and preliminary validation of the spondyloarthritis research consortium of Canada magnetic resonance imaging sacroiliac joint structural score

    DEFF Research Database (Denmark)

    Maksymowych, Walter P; Wichuk, Stephanie; Chiowchanwisawakit, Praveena

    2015-01-01

    on magnetic resonance imaging (MRI), the Spondyloarthritis Research Consortium of Canada (SPARCC) SIJ Structural Score (SSS). METHODS: The SSS method for assessment of structural lesions is based on T1-weighted spin echo MRI, validated lesion definitions, slice selection according to well-defined anatomical...... in scores, and was highest for fat metaplasia when both ICC and SDC values were compared. CONCLUSION: The new SPARCC MRI SSS method can detect structural changes in the SIJ with acceptable reliability over a 1-2-year timeframe, and should be further validated in patients with SpA....

  16. Structural Validation of a French Food Frequency Questionnaire of 94 Items.

    Science.gov (United States)

    Gazan, Rozenn; Vieux, Florent; Darmon, Nicole; Maillot, Matthieu

    2017-01-01

    Food frequency questionnaires (FFQs) are used to estimate the usual food and nutrient intakes over a period of time. Such estimates can suffer from measurement errors, either due to bias induced by respondent's answers or to errors induced by the structure of the questionnaire (e.g., using a limited number of food items and an aggregated food database with average portion sizes). The "structural validation" presented in this study aims to isolate and quantify the impact of the inherent structure of a FFQ on the estimation of food and nutrient intakes, independently of respondent's perception of the questionnaire. A semi-quantitative FFQ ( n  = 94 items, including 50 items with questions on portion sizes) and an associated aggregated food composition database (named the item-composition database) were developed, based on the self-reported weekly dietary records of 1918 adults (18-79 years-old) in the French Individual and National Dietary Survey 2 (INCA2), and the French CIQUAL 2013 food-composition database of all the foods ( n  = 1342 foods) declared as consumed in the population. Reference intakes of foods ("REF_FOOD") and nutrients ("REF_NUT") were calculated for each adult using the food-composition database and the amounts of foods self-reported in his/her dietary record. Then, answers to the FFQ were simulated for each adult based on his/her self-reported dietary record. "FFQ_FOOD" and "FFQ_NUT" intakes were estimated using the simulated answers and the item-composition database. Measurement errors (in %), spearman correlations and cross-classification were used to compare "REF_FOOD" with "FFQ_FOOD" and "REF_NUT" with "FFQ_NUT". Compared to "REF_NUT," "FFQ_NUT" total quantity and total energy intake were underestimated on average by 198 g/day and 666 kJ/day, respectively. "FFQ_FOOD" intakes were well estimated for starches, underestimated for most of the subgroups, and overestimated for some subgroups, in particular vegetables. Underestimation were

  17. Protein-protein interactions within photosystem II under photoprotection: the synergy between CP29 minor antenna, subunit S (PsbS) and zeaxanthin at all-atom resolution.

    Science.gov (United States)

    Daskalakis, Vangelis

    2018-05-07

    The assembly and disassembly of protein complexes within cells are crucial life-sustaining processes. In photosystem II (PSII) of higher plants, there is a delicate yet obscure balance between light harvesting and photo-protection under fluctuating light conditions, that involves protein-protein complexes. Recent breakthroughs in molecular dynamics (MD) simulations are combined with new approaches herein to provide structural and energetic insight into such a complex between the CP29 minor antenna and the PSII subunit S (PsbS). The microscopic model involves extensive sampling of bound and dissociated states at atomic resolution in the presence of photo-protective zeaxanthin (Zea), and reveals well defined protein-protein cross-sections. The complex is placed within PSII, and macroscopic connections are emerging (PsbS-CP29-CP24-CP47) along the energy transfer pathways from the antenna to the PSII core. These connections explain macroscopic observations in the literature, while the previously obscured atomic scale details are now revealed. The implications of these findings are discussed in the context of the Non-Photochemical Quenching (NPQ) of chlorophyll fluorescence, the down-regulatory mechanism of photosynthesis, that enables the protection of PSII against excess excitation load. Zea is found at the PsbS-CP29 cross-section and a pH-dependent equilibrium between PsbS dimer/monomers and the PsbS-CP29 dissociation/association is identified as the target for engineering tolerant plants with increased crop and biomass yields. Finally, the new MD based approaches can be used to probe protein-protein interactions in general, and the PSII structure provided can initiate large scale molecular simulations of the photosynthetic apparatus, under NPQ conditions.

  18. Factor analysis of the Mayo-Portland Adaptability Inventory: structure and validity.

    Science.gov (United States)

    Bohac, D L; Malec, J F; Moessner, A M

    1997-07-01

    Principal-components (PC) factor analysis of the Mayo-Portland Adaptability Inventory (MPAI) was conducted using a sample of outpatients (n = 189) with acquired brain injury (ABI) to evaluate whether outcome after ABI is multifactorial or unifactorial in nature. An eight-factor model was derived which explained 64-4% of the total variance. The eight factors were interpreted as representing Activities of Daily Living, Social Initiation, Cognition, Impaired-Self-awareness/Distress, Social Skills/ Support, Independence, Visuoperceptual, and Psychiatric, respectively. Validation of the Cognition factor was supported when factor scores were correlated with various neuropsychological measures. In addition, 117 patient self-rating total scores were used to evaluate the Impaired Self-awareness/Distress factor. An inverse relationship was observed, supporting this factor's ability to capture the two-dimensional phenomena of diminished self-awareness or enhanced emotional distress. A new subscale structure is suggested, that may allow greater clinical utility in understanding how ABI manifests in patients, and may provide clinicians with a better structure for implementing treatment strategies to address specific areas of impairment and disability for specific patients. Additionally, more precise measurement of treatment outcomes may be afforded by this reorganization.

  19. Psychometric properties and structural validity of the short version of the personality beliefs questionnaire (PBQ-SF)

    OpenAIRE

    Manrique Hernández, Rubén Darío; Universidad San Buenaventura; Moratto Vasquez, Nadia Semenova; Universidad CES

    2015-01-01

    The Personality Belief Questionnaire- Short Form (PBQ-SF) is an assessment instrument of personality beliefs based on the cognitive theory that states that these are characterized by a specific pattern of dysfunctional thoughts. The objective of this study was to establish the psychometric properties and structural validity of the PBQ-SF questionnaire in Colombian adults from 18 to 35 years old. To carry out the above and with permission of the author the validation process was initiated foll...

  20. Structural exploration for the refinement of anticancer matrix metalloproteinase-2 inhibitor designing approaches through robust validated multi-QSARs

    Science.gov (United States)

    Adhikari, Nilanjan; Amin, Sk. Abdul; Saha, Achintya; Jha, Tarun

    2018-03-01

    Matrix metalloproteinase-2 (MMP-2) is a promising pharmacological target for designing potential anticancer drugs. MMP-2 plays critical functions in apoptosis by cleaving the DNA repair enzyme namely poly (ADP-ribose) polymerase (PARP). Moreover, MMP-2 expression triggers the vascular endothelial growth factor (VEGF) having a positive influence on tumor size, invasion, and angiogenesis. Therefore, it is an urgent need to develop potential MMP-2 inhibitors without any toxicity but better pharmacokinetic property. In this article, robust validated multi-quantitative structure-activity relationship (QSAR) modeling approaches were attempted on a dataset of 222 MMP-2 inhibitors to explore the important structural and pharmacophoric requirements for higher MMP-2 inhibition. Different validated regression and classification-based QSARs, pharmacophore mapping and 3D-QSAR techniques were performed. These results were challenged and subjected to further validation to explain 24 in house MMP-2 inhibitors to judge the reliability of these models further. All these models were individually validated internally as well as externally and were supported and validated by each other. These results were further justified by molecular docking analysis. Modeling techniques adopted here not only helps to explore the necessary structural and pharmacophoric requirements but also for the overall validation and refinement techniques for designing potential MMP-2 inhibitors.

  1. The Validity, Reliability and Factorial Structure of the Turkish Version of the Tromso Social Intelligence Scale

    Science.gov (United States)

    Dogan, Tayfun; Cetin, Bayram

    2009-01-01

    The purpose of the present study was to investigate the reliability and validity of the Turkish version of the Tromso Social Intelligence Scale (TSIS) developed by Silvera, Martinussen, and Dahl (2001). 719 students from Sakarya University participated in the study. Construct validity and criterion related validity and reliability were assessed.…

  2. Binding modes and pathway of RHPS4 to human telomeric G-quadruplex and duplex DNA probed by all-atom molecular dynamics simulations with explicit solvent.

    Science.gov (United States)

    Mulholland, Kelly; Siddiquei, Farzana; Wu, Chun

    2017-07-19

    RHPS4, a potent binder to human telomeric DNA G-quadruplex, shows high efficacy in tumor cell growth inhibition. However, it's preferential binding to DNA G-quadruplex over DNA duplex (about 10 fold) remains to be improved toward its clinical application. A high resolution structure of the single-stranded telomeric DNA G-quadruplexes, or B-DNA duplex, in complex with RHPS4 is not available yet, and the binding nature of this ligand to these DNA forms remains to be elusive. In this study, we carried out 40 μs molecular dynamics binding simulations with a free ligand to decipher the binding pathway of RHPS4 to a DNA duplex and three G-quadruplex folders (parallel, antiparallel and hybrid) of the human telomeric DNA sequence. The most stable binding mode identified for the duplex, parallel, antiparallel and hybrid G-quadruplexes is an intercalation, bottom stacking, top intercalation and bottom intercalation mode, respectively. The intercalation mode with similar binding strength to both the duplex and the G-quadruplexes, explains the lack of binding selectivity of RHPS4 to the G-quadruplex form. Therefore, a ligand modification that destabilizes the duplex intercalation mode but stabilizes the G-quadruplex intercalation mode will improve the binding selectivity toward G-quadruplex. The intercalation mode of RHPS4 to both the duplex and the antiparallel and the hybrid G-quadruplex follows a base flipping-insertion mechanism rather than an open-insertion mechanism. The groove binding, the side binding and the intercalation with flipping out of base were observed to be intermediate states before the full intercalation state with paired bases.

  3. [Factor structure validity of the social capital scale used at baseline in the ELSA-Brasil study].

    Science.gov (United States)

    Souto, Ester Paiva; Vasconcelos, Ana Glória Godoi; Chor, Dora; Reichenheim, Michael E; Griep, Rosane Härter

    2016-07-21

    This study aims to analyze the factor structure of the Brazilian version of the Resource Generator (RG) scale, using baseline data from the Brazilian Longitudinal Health Study in Adults (ELSA-Brasil). Cross-validation was performed in three random subsamples. Exploratory factor analysis using exploratory structural equation models was conducted in the first two subsamples to diagnose the factor structure, and confirmatory factor analysis was used in the third to corroborate the model defined by the exploratory analyses. Based on the 31 initial items, the model with the best fit included 25 items distributed across three dimensions. They all presented satisfactory convergent validity (values greater than 0.50 for the extracted variance) and precision (values greater than 0.70 for compound reliability). All factor correlations were below 0.85, indicating full discriminative factor validity. The RG scale presents acceptable psychometric properties and can be used in populations with similar characteristics.

  4. Contribution of the JRC to test and validate innovation systems for earthquake protection and control of vibration of structures

    International Nuclear Information System (INIS)

    Renda, Vito

    2002-01-01

    The mission of JRC is to provide scientific and technical support for the conception, development and monitoring of EU policies. The task of IPSC is to provide cyber-security and fight against the fraud; natural, technological and economic risks; humanitarian security, non-proliferation and nuclear safeguards. The Structural mechanics laboratory supplies pseudo-dynamic testing of full/large scale models and structures. Earthquake simulation is provided by two complementary approaches: shaking table, and reaction wall. The main objectives of the large scale testing are: to calibrate analytical models suitable for different classes of structures; to validate rules of norms and standards; and to contribute to the development of innovative technologies for the protection of structures of both civil and architectural interest. Seismic isolation program deals with validation of the pseudo-dynamic method for testing large models of base isolated structures

  5. Concrete structures vulnerability under impact: characterization, modeling, and validation - Concrete slabs vulnerability under impact: characterization, modeling, and validation

    International Nuclear Information System (INIS)

    Xuan Dung Vu

    2013-01-01

    weak confinement pressure and a plasticity model which allows to reproduce the concrete behavior under strong confinement pressure. The identification of the model was done using the results of experimental tests. The improvement of this model, especially the plasticity part, focuses on three main points: taking into account the effect of the deviatoric stress in the calculation of the mean stress; better accounting for the effect of water using poro-mechanical law instead of mixing law, improvement of the coupling variable between the damage model and the elastoplastic model with consideration of the Lode angle. These improvements were then validated by comparing numerical results and impact tests. The improved model is capable of reproducing the behavior of concrete under different loading paths and at different levels of confinement pressure while taking into account the degree of saturation of concrete. (author) [fr

  6. Validation of an employee satisfaction model: A structural equation model approach

    Directory of Open Access Journals (Sweden)

    Ophillia Ledimo

    2015-01-01

    Full Text Available The purpose of this study was to validate an employee satisfaction model and to determine the relationships between the different dimensions of the concept, using the structural equation modelling approach (SEM. A cross-sectional quantitative survey design was used to collect data from a random sample of (n=759 permanent employees of a parastatal organisation. Data was collected using the Employee Satisfaction Survey (ESS to measure employee satisfaction dimensions. Following the steps of SEM analysis, the three domains and latent variables of employee satisfaction were specified as organisational strategy, policies and procedures, and outcomes. Confirmatory factor analysis of the latent variables was conducted, and the path coefficients of the latent variables of the employee satisfaction model indicated a satisfactory fit for all these variables. The goodness-of-fit measure of the model indicated both absolute and incremental goodness-of-fit; confirming the relationships between the latent and manifest variables. It also indicated that the latent variables, organisational strategy, policies and procedures, and outcomes, are the main indicators of employee satisfaction. This study adds to the knowledge base on employee satisfaction and makes recommendations for future research.

  7. Parents' and Adolescents' Perspectives on Parenting: Evaluating Conceptual Structure, Measurement Invariance, and Criterion Validity.

    Science.gov (United States)

    Janssens, Annelies; Goossens, Luc; Van Den Noortgate, Wim; Colpin, Hilde; Verschueren, Karine; Van Leeuwen, Karla

    2015-08-01

    Uncertainty persists regarding adequate measurement of parenting behavior during early adolescence. The present study aimed to clarify the conceptual structure of parenting by evaluating three different models that include support, psychological control, and various types of behavioral control (i.e., proactive, punitive, and harsh punitive control). Furthermore, we examined measurement invariance of parenting ratings by 1,111 Flemish adolescents from Grade 7 till 9, their mother, and father. Finally, criterion validity of parenting ratings was estimated in relation to adolescent problem behavior. Results supported a five-factor parenting model indicating multiple aspects of behavioral control, with punitive and harsh punitive control as more intrusive forms and proactive control as a more supportive form. Similar constructs were measured for adolescents, mothers, and fathers (i.e., configural and metric invariance), however on a different scale (i.e., scalar noninvariance). Future research and clinical practices should acknowledge these findings in order to fully grasp the parenting process. © The Author(s) 2014.

  8. Vocalist - an international programme for the validation of constraint based methodology in structural integrity

    International Nuclear Information System (INIS)

    Lidbury, D.; Bass, R.; Gilles, Ph.; Connors, D.; Eisele, U.; Keim, E.; Keinanen, H.; Marie, St.; Nagel, G.; Taylor, N.; Wadier, Y.

    2001-01-01

    The pattern of crack-tip stresses and strains causing plastic flow and fracture in components is different to that in test specimens. This gives rise to the so-called constraint effect. Crack-tip constraint in components is generally lower than in test specimens. Effective toughness is correspondingly higher. The fracture toughness measured on test specimens is thus likely to underestimate that exhibited by cracks in components. A 36-month programme was initiated in October 2000 as part of the Fifth Framework of the European Atomic Energy Community (EURATOM), with the objective of achieving (i) an improved defect assessment methodology for predicting safety margins; (ii) improved lifetime management arguments. The programme VOCALIST (Validation of Constraint Based Methodology in Structural Integrity) is one of a 'cluster' of Fifth Framework projects in the area of Plant Life Management (Nuclear Fission). VOCALIST is also an associated project of NESC (Network for Evaluating Steel Components). The present paper describes the aims and objectives of VOCALIST, its interactions with NESC, and gives details of its various Work Packages. (authors)

  9. Vocalist - an international programme for the validation of constraint based methodology in structural integrity

    Energy Technology Data Exchange (ETDEWEB)

    Lidbury, D. [AEA Technology, Consulting (United Kingdom); Bass, R. [Oak Ridge National Lab., TN (United States); Gilles, Ph. [FRAMATOME, 92 - Paris-La-Defence (France); Connors, D. [BNFL Magnox Generation (United Kingdom); Eisele, U. [Multiphoton Absorption, MPA, Stuttgart (Germany); Keim, E. [Framatome ANP GmbH (Germany); Keinanen, H. [VTT Energy, Espoo (Finland); Marie, St. [CEA Saclay, Dept. de Mecanique et de Technologie, 91 - Gif sur Yvette (France); Nagel, G. [E.ON Kernraft (Germany); Taylor, N. [Joint Research Center, JRC-IAM (Netherlands); Wadier, Y. [Electricite de France (EDF), 93 - Saint-Denis (France). Dept. de Radioprotection

    2001-07-01

    The pattern of crack-tip stresses and strains causing plastic flow and fracture in components is different to that in test specimens. This gives rise to the so-called constraint effect. Crack-tip constraint in components is generally lower than in test specimens. Effective toughness is correspondingly higher. The fracture toughness measured on test specimens is thus likely to underestimate that exhibited by cracks in components. A 36-month programme was initiated in October 2000 as part of the Fifth Framework of the European Atomic Energy Community (EURATOM), with the objective of achieving (i) an improved defect assessment methodology for predicting safety margins; (ii) improved lifetime management arguments. The programme VOCALIST (Validation of Constraint Based Methodology in Structural Integrity) is one of a 'cluster' of Fifth Framework projects in the area of Plant Life Management (Nuclear Fission). VOCALIST is also an associated project of NESC (Network for Evaluating Steel Components). The present paper describes the aims and objectives of VOCALIST, its interactions with NESC, and gives details of its various Work Packages. (authors)

  10. Reliability and Validity of Objective Structured Clinical Examination for Residents of Obstetrics and Gynecology at Kermanshah University of Medical Sciences

    Directory of Open Access Journals (Sweden)

    Nasrin Jalilian

    2012-11-01

    Full Text Available Introduction: Objective structured clinical examination (OSCE is used for the evaluation of the clinical competence in medicine for which it is essential to measure validity and reliability. This study aimed to investigate the validity and reliability of OSCE for residents of obstetrics and gynecology at Kermanshah University of Medical Sciences in 2011.Methods: A descriptive-correlation study was designed and the data of OSCE for obstetrics and gynecology were collected via learning behavior checklists in method stations and multiple choice questions in question stations. The data were analyzed through Pearson correlation coefficient and Cronbach's alpha, using SPSS software (version 16. To determine the criterion validity, correlation of OSCE scores with scores of resident promotion test, direct observation of procedural skills, and theoretical knowledge was determined; for reliability, however, Cronbach's alpha was used. Total sample consisted of 25 participants taking part in 14 stations. P value of less than 0.05 was considered as significant.Results: The mean OSCE scores was 22.66 (±6.85. Criterion validity of the stations with resident promotion theoretical test, first theoretical knowledge test, second theoretical knowledge, and direct observation of procedural skills (DOPS was 0.97, 0.74, 0.49, and 0.79, respectively. In question stations, criterion validity was 0.15, and total validity of OSCE was 0.77.Conclusion: Findings of the present study indicated acceptable validity and reliability of OSCE for residents of obstetrics and gynecology.

  11. Experimentally validated structural vibration frequencies’ prediction from frictional temperature signatures using numerical simulation: A case of laced cantilever beam-like structures

    Directory of Open Access Journals (Sweden)

    Stephen M Talai

    2016-12-01

    Full Text Available This article pertains to the prediction of structural vibration frequencies from frictional temperature evolution through numerical simulation. To achieve this, a finite element analysis was carried on AISI 304 steel cantilever beam-like structures coupled with a lacing wire using the commercial software ABAQUS/CAE. The coupled temperature–displacement transient analysis simulated the frictional thermal generation. Furthermore, an experimental analysis was carried out with infrared cameras capturing the interfacial thermal images while the beams were subjected to forced excitation, thus validating the finite element analysis results. The analysed vibration frequencies using a MATLAB fast Fourier transform algorithm confirmed the validity of its prediction from the frictional temperature time domain waveform. This finding has a great significance to the mechanical and aerospace engineering communities for the effective structural health monitoring of dynamic structures online using infrared thermography, thus reducing the downtime and maintenance cost, leading to increased efficiency.

  12. Structural validity of the Dutch-language version of the WAIS-III in a psychiatric sample

    NARCIS (Netherlands)

    Heijden, P. van der; Bos, P. van den; Mol, B.; Kessels, R.P.C.

    2013-01-01

    The Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV; Wechsler, 2008 ) no longer provides the "traditional" Verbal IQ and Performance IQ deviation scores. In the current study, we investigated the structural validity of these scores in the scale's predecessor, the WAIS-Third Edition

  13. Structural Validity of the Dutch-Language Version of the WAIS-III in a Psychiatric Sample

    NARCIS (Netherlands)

    Heijden, P.T. van der; Bos, P. van den; Mol, B.A.W.; Kessels, R.P.C.

    2013-01-01

    The Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV; Wechsler, 2008) no longer provides the traditional Verbal IQ and Performance IQ deviation scores. In the current study, we investigated the structural validity of these scores in the scale's predecessor, the WAIS-Third Edition (WAIS-III;

  14. Using Structural Equation Modeling to Validate Online Game Players' Motivations Relative to Self-Concept and Life Adaptation

    Science.gov (United States)

    Yang, Shu Ching; Huang, Chiao Ling

    2013-01-01

    This study aimed to validate a systematic instrument to measure online players' motivations for playing online games (MPOG) and examine how the interplay of differential motivations impacts young gamers' self-concept and life adaptation. Confirmatory factor analysis determined that a hierarchical model with a two-factor structure of…

  15. Convergence among Data Sources, Response Bias, and Reliability and Validity of a Structured Job Analysis Questionnaire.

    Science.gov (United States)

    Smith, Jack E.; Hakel, Milton D.

    1979-01-01

    Examined are questions pertinent to the use of the Position Analysis Questionnaire: Who can use the PAQ reliably and validly? Must one rely on trained job analysts? Can people having no direct contact with the job use the PAQ reliably and validly? Do response biases influence PAQ responses? (Author/KC)

  16. Adaptation of the Body Image after Breast Cancer Questionnaire in the Polish context: factorial structure and validity of the scale

    Directory of Open Access Journals (Sweden)

    Romuald Derbis

    2016-01-01

    Full Text Available Background Valid assessment of body image is salient in therapy and rehabilitation of women suffering from breast cancer. Adequate instruments are still lacking in this domain. To overcome this limitation two aims were formulated in the study. First, we tested the factorial structure of the Body Image after Breast Cancer Questionnaire (BIBCQ developed by Baxter (1998 in Canada, in the Polish context. Then, we tested the construct validity of the scale. The scale is based on a multidimensional concept of the body image of chronically ill individuals proposed by Vamos (1993. Participants and procedure A group of 270 women at the mean age of 55 (range of 23-81 with breast cancer who underwent conservation, mastectomy, or lumpectomy surgery was sampled in the Amazonki community. Results Confirmatory factor analysis was used to test the factorial structure of the instrument. To test the convergent validity, scales assessing body self, body image, self-esteem, and depression were used. Divergent validity was analyzed in the context of the social desirability construct. Discriminant validity was based on comparisons between women who had undergone lumpectomy or mastectomy surgery. The results showed that within two out of six subscales proposed by Baxter, two additional subscales had to be distinguished. However, some differences in comparisons with previous validation studies were also found. Conclusions The BIBCQ scale was found to be a valid multidimensional tool of body image assessment in the Polish context. The results are discussed in terms of cross-cultural differences in body image perception in breast cancer patients and guidelines for the scale’s implementation in the Polish context.

  17. Effective electron-density map improvement and structure validation on a Linux multi-CPU web cluster: The TB Structural Genomics Consortium Bias Removal Web Service.

    Science.gov (United States)

    Reddy, Vinod; Swanson, Stanley M; Segelke, Brent; Kantardjieff, Katherine A; Sacchettini, James C; Rupp, Bernhard

    2003-12-01

    Anticipating a continuing increase in the number of structures solved by molecular replacement in high-throughput crystallography and drug-discovery programs, a user-friendly web service for automated molecular replacement, map improvement, bias removal and real-space correlation structure validation has been implemented. The service is based on an efficient bias-removal protocol, Shake&wARP, and implemented using EPMR and the CCP4 suite of programs, combined with various shell scripts and Fortran90 routines. The service returns improved maps, converted data files and real-space correlation and B-factor plots. User data are uploaded through a web interface and the CPU-intensive iteration cycles are executed on a low-cost Linux multi-CPU cluster using the Condor job-queuing package. Examples of map improvement at various resolutions are provided and include model completion and reconstruction of absent parts, sequence correction, and ligand validation in drug-target structures.

  18. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

    International Nuclear Information System (INIS)

    Streek, Jacco van de; Neumann, Marcus A.

    2014-01-01

    The accuracy of 215 experimental organic crystal structures from powder diffraction data is validated against a dispersion-corrected density functional theory method. In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom

  19. Factor Structure and Convergent Validity of the Stress Index for Parents of Adolescents (SIPA) in Adolescents With ADHD.

    Science.gov (United States)

    Eadeh, Hana-May; Langberg, Joshua M; Molitor, Stephen J; Behrhorst, Katie; Smith, Zoe R; Evans, Steven W

    2018-02-01

    Parenting stress is common in families with an adolescent with attention-deficit/hyperactivity disorder (ADHD). The Stress Index for Parents of Adolescents (SIPA) was developed to assess parenting stress but has not been validated outside of the original development work. This study examined the factor structure and sources of convergent validity of the SIPA in a sample of adolescents diagnosed with ADHD ( M age = 12.3, N = 327) and their caregivers. Three first-order models, two bifactor models, and one higher order model were evaluated; none met overall model fit criteria but the first-order nine-factor model displayed the best fit. Convergent validity was also assessed and the SIPA adolescent domain was moderately correlated with measures of family impairment and conflict after accounting for ADHD symptom severity. Implications of these findings for use of the SIPA in ADHD samples are discussed along with directions for future research focused on parent stress and ADHD.

  20. A validated model for the 22-item Sino-Nasal Outcome Test subdomain structure in chronic rhinosinusitis.

    Science.gov (United States)

    Feng, Allen L; Wesely, Nicholas C; Hoehle, Lloyd P; Phillips, Katie M; Yamasaki, Alisa; Campbell, Adam P; Gregorio, Luciano L; Killeen, Thomas E; Caradonna, David S; Meier, Josh C; Gray, Stacey T; Sedaghat, Ahmad R

    2017-12-01

    Previous studies have identified subdomains of the 22-item Sino-Nasal Outcome Test (SNOT-22), reflecting distinct and largely independent categories of chronic rhinosinusitis (CRS) symptoms. However, no study has validated the subdomain structure of the SNOT-22. This study aims to validate the existence of underlying symptom subdomains of the SNOT-22 using confirmatory factor analysis (CFA) and to develop a subdomain model that practitioners and researchers can use to describe CRS symptomatology. A total of 800 patients with CRS were included into this cross-sectional study (400 CRS patients from Boston, MA, and 400 CRS patients from Reno, NV). Their SNOT-22 responses were analyzed using exploratory factor analysis (EFA) to determine the number of symptom subdomains. A CFA was performed to develop a validated measurement model for the underlying SNOT-22 subdomains along with various tests of validity and goodness of fit. EFA demonstrated 4 distinct factors reflecting: sleep, nasal, otologic/facial pain, and emotional symptoms (Cronbach's alpha, >0.7; Bartlett's test of sphericity, p Kaiser-Meyer-Olkin >0.90), independent of geographic locale. The corresponding CFA measurement model demonstrated excellent measures of fit (root mean square error of approximation, 0.95; Tucker-Lewis index, >0.95) and measures of construct validity (heterotrait-monotrait [HTMT] ratio, 0.7), again independent of geographic locale. The use of the 4-subdomain structure for SNOT-22 (reflecting sleep, nasal, otologic/facial pain, and emotional symptoms of CRS) was validated as the most appropriate to calculate SNOT-22 subdomain scores for patients from different geographic regions using CFA. © 2017 ARS-AAOA, LLC.

  1. Validation and implementation of sandwich structure bottom plate to rib weld joint in the base section of ITER Cryostat

    Energy Technology Data Exchange (ETDEWEB)

    Prajapati, Rajnikant, E-mail: rajnikant@iter-india.org [ITER-India, Institute For Plasma Research, A-29, GIDC Electronics Estate, Sector-25, Gandhinagar 382016 (India); Bhardwaj, Anil K.; Gupta, Girish; Joshi, Vaibhav; Patel, Mitul; Bhavsar, Jagrut; More, Vipul; Jindal, Mukesh; Bhattacharya, Avik; Jogi, Gaurav; Palaliya, Amit; Jha, Saroj; Pandey, Manish [ITER-India, Institute For Plasma Research, A-29, GIDC Electronics Estate, Sector-25, Gandhinagar 382016 (India); Jadhav, Pandurang; Desai, Hemal [Larsen & Toubro Limited, Heavy Engineering, Hazira Manufacturing Complex, Gujarat (India)

    2016-11-01

    Highlights: • ITER Cryostat base section sandwich structure bottom plate to rib weld joint is qualified through mock-up. • Established welding sequence was successfully implemented on all six sectors of cryostat base section. • Each layer liquid penetrant examination has been carried out for these weld joints and found satisfactory. - Abstract: Cryostat is a large stainless steel vacuum vessel providing vacuum environment to ITER machine components. The cryostat is ∼30 m in diameter and ∼30 m in height having variable thickness from 25 mm to 180 mm. Sandwich structure of cryostat base section withstands vacuum loading and limits the deformation under service conditions. Sandwich structure consists of top and bottom plates internally strengthened with radial and circular ribs. In current work, sandwich structure bottom plate to rib weld joint has been designed with full penetration joint as per ITER Vacuum Handbook requirement considering nondestructive examinations and welding feasibility. Since this joint was outside the scope of ASME Section VIII Div. 2, it was decided to validate through mock-up of bottom plate to rib joint. Welding sequence was established to control the distortion. Tensile test, macro-structural examination and layer by layer LPE were carried out for validation of this weld joint. However possibility of ultrasonic examination method was also investigated. The test results from the welded joint mock-up were found to confirm all code and specification requirements. The same was implemented in first sector (0–60°) of base section sandwich structure.

  2. Structural and incremental validity of the Wechsler Adult Intelligence Scale-Fourth Edition with a clinical sample.

    Science.gov (United States)

    Nelson, Jason M; Canivez, Gary L; Watkins, Marley W

    2013-06-01

    Structural and incremental validity of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV; Wechsler, 2008a) was examined with a sample of 300 individuals referred for evaluation at a university-based clinic. Confirmatory factor analysis indicated that the WAIS-IV structure was best represented by 4 first-order factors as well as a general intelligence factor in a direct hierarchical model. The general intelligence factor accounted for the most common and total variance among the subtests. Incremental validity analyses indicated that the Full Scale IQ (FSIQ) generally accounted for medium to large portions of academic achievement variance. For all measures of academic achievement, the first-order factors combined accounted for significant achievement variance beyond that accounted for by the FSIQ, but individual factor index scores contributed trivial amounts of achievement variance. Implications for interpreting WAIS-IV results are discussed. (PsycINFO Database Record (c) 2013 APA, all rights reserved).

  3. The DUNDRUM-1 structured professional judgment for triage to appropriate levels of therapeutic security: retrospective-cohort validation study.

    LENUS (Irish Health Repository)

    Flynn, Grainne

    2011-01-01

    The assessment of those presenting to prison in-reach and court diversion services and those referred for admission to mental health services is a triage decision, allocating the patient to the appropriate level of therapeutic security. This is a critical clinical decision. We set out to improve on unstructured clinical judgement. We collated qualitative information and devised an 11 item structured professional judgment instrument for this purpose then tested for validity.

  4. Toward validation of a structural approach to conceptualizing psychopathology: A special section of the Journal of Abnormal Psychology.

    Science.gov (United States)

    Krueger, Robert F; Tackett, Jennifer L; MacDonald, Angus

    2016-11-01

    Traditionally, psychopathology has been conceptualized in terms of polythetic categories derived from committee deliberations and enshrined in authoritative psychiatric nosologies-most notably the Diagnostic and Statistical Manual of Mental Disorders (DSM; American Psychiatric Association [APA], 2013). As the limitations of this form of classification have become evident, empirical data have been increasingly relied upon to investigate the structure of psychopathology. These efforts have borne fruit in terms of an increasingly consistent set of psychopathological constructs closely connected with similar personality constructs. However, the work of validating these constructs using convergent sources of data is an ongoing enterprise. This special section collects several new efforts to use structural approaches to study the validity of this empirically based organizational scheme for psychopathology. Inasmuch as a structural approach reflects the natural organization of psychopathology, it has great potential to facilitate comprehensive organization of information on the correlates of psychopathology, providing evidence for the convergent and discriminant validity of an empirical approach to classification. Here, we highlight several themes that emerge from this burgeoning literature. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  5. A Multiscale Finite Element Model Validation Method of Composite Cable-Stayed Bridge Based on Structural Health Monitoring System

    Directory of Open Access Journals (Sweden)

    Rumian Zhong

    2015-01-01

    Full Text Available A two-step response surface method for multiscale finite element model (FEM updating and validation is presented with respect to Guanhe Bridge, a composite cable-stayed bridge in the National Highway number G15, in China. Firstly, the state equations of both multiscale and single-scale FEM are established based on the basic equation in structural dynamic mechanics to update the multiscale coupling parameters and structural parameters. Secondly, based on the measured data from the structural health monitoring (SHM system, a Monte Carlo simulation is employed to analyze the uncertainty quantification and transmission, where the uncertainties of the multiscale FEM and measured data were considered. The results indicate that the relative errors between the calculated and measured frequencies are less than 2%, and the overlap ratio indexes of each modal frequency are larger than 80% without the average absolute value of relative errors. These demonstrate that the proposed method can be applied to validate the multiscale FEM, and the validated FEM can reflect the current conditions of the real bridge; thus it can be used as the basis for bridge health monitoring, damage prognosis (DP, and safety prognosis (SP.

  6. A Replication of the Internal Validity Structure of Three Major Teaching Rating Scales

    Science.gov (United States)

    Peters, Scott J.; Pereira, Nielsen

    2017-01-01

    Even as the importance of replication research has become more widely understood, the field of gifted education is almost completely devoid of replication studies. An area in which replication is a particular problem is in student identification research, since instrument validity is a necessary prerequisite for any sound psychometric decision. To…

  7. Proton affinities of anionic bases: Trends across the periodic table, structural effects, and DFT validation

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We have carried out an extensive exploration of the gas-phase basicity of archetypal anionic bases across the periodic system using the generalized gradient approximation of density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing proton

  8. Creating a Test Validated Structural Dynamic Finite Element Model of the Multi-Utility Technology Test Bed Aircraft

    Science.gov (United States)

    Pak, Chan-Gi; Truong, Samson S.

    2014-01-01

    Small modeling errors in the finite element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of Multi Utility Technology Test Bed, X-56A, aircraft is the flight demonstration of active flutter suppression, and therefore in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of X-56A. The ground vibration test validated structural dynamic finite element model of the X-56A is created in this study. The structural dynamic finite element model of the X-56A is improved using a model tuning tool. In this study, two different weight configurations of the X-56A have been improved in a single optimization run.

  9. Validation of Molecular Dynamics Simulations for Prediction of Three-Dimensional Structures of Small Proteins.

    Science.gov (United States)

    Kato, Koichi; Nakayoshi, Tomoki; Fukuyoshi, Shuichi; Kurimoto, Eiji; Oda, Akifumi

    2017-10-12

    Although various higher-order protein structure prediction methods have been developed, almost all of them were developed based on the three-dimensional (3D) structure information of known proteins. Here we predicted the short protein structures by molecular dynamics (MD) simulations in which only Newton's equations of motion were used and 3D structural information of known proteins was not required. To evaluate the ability of MD simulationto predict protein structures, we calculated seven short test protein (10-46 residues) in the denatured state and compared their predicted and experimental structures. The predicted structure for Trp-cage (20 residues) was close to the experimental structure by 200-ns MD simulation. For proteins shorter or longer than Trp-cage, root-mean square deviation values were larger than those for Trp-cage. However, secondary structures could be reproduced by MD simulations for proteins with 10-34 residues. Simulations by replica exchange MD were performed, but the results were similar to those from normal MD simulations. These results suggest that normal MD simulations can roughly predict short protein structures and 200-ns simulations are frequently sufficient for estimating the secondary structures of protein (approximately 20 residues). Structural prediction method using only fundamental physical laws are useful for investigating non-natural proteins, such as primitive proteins and artificial proteins for peptide-based drug delivery systems.

  10. Experimental validation of a structural damage detection method based on marginal Hilbert spectrum

    Science.gov (United States)

    Banerji, Srishti; Roy, Timir B.; Sabamehr, Ardalan; Bagchi, Ashutosh

    2017-04-01

    Structural Health Monitoring (SHM) using dynamic characteristics of structures is crucial for early damage detection. Damage detection can be performed by capturing and assessing structural responses. Instrumented structures are monitored by analyzing the responses recorded by deployed sensors in the form of signals. Signal processing is an important tool for the processing of the collected data to diagnose anomalies in structural behavior. The vibration signature of the structure varies with damage. In order to attain effective damage detection, preservation of non-linear and non-stationary features of real structural responses is important. Decomposition of the signals into Intrinsic Mode Functions (IMF) by Empirical Mode Decomposition (EMD) and application of Hilbert-Huang Transform (HHT) addresses the time-varying instantaneous properties of the structural response. The energy distribution among different vibration modes of the intact and damaged structure depicted by Marginal Hilbert Spectrum (MHS) detects location and severity of the damage. The present work investigates damage detection analytically and experimentally by employing MHS. The testing of this methodology for different damage scenarios of a frame structure resulted in its accurate damage identification. The sensitivity of Hilbert Spectral Analysis (HSA) is assessed with varying frequencies and damage locations by means of calculating Damage Indices (DI) from the Hilbert spectrum curves of the undamaged and damaged structures.

  11. Experimental validation of 3D printed material behaviors and their influence on the structural topology design

    Science.gov (United States)

    Yang, Kai Ke; Zhu, Ji Hong; Wang, Chuang; Jia, Dong Sheng; Song, Long Long; Zhang, Wei Hong

    2018-05-01

    The purpose of this paper is to investigate the structures achieved by topology optimization and their fabrications by 3D printing considering the particular features of material microstructures and macro mechanical performances. Combining Digital Image Correlation and Optical Microscope, this paper experimentally explored the anisotropies of stiffness and strength existing in the 3D printed polymer material using Stereolithography (SLA) and titanium material using Selective Laser Melting (SLM). The standard specimens and typical structures obtained by topology optimization were fabricated along different building directions. On the one hand, the experimental results of these SLA produced structures showed stable properties and obviously anisotropic rules in stiffness, ultimate strengths and places of fractures. Further structural designs were performed using topology optimization when the particular mechanical behaviors of SLA printed materials were considered, which resulted in better structural performances compared to the optimized designs using `ideal' isotropic material model. On the other hand, this paper tested the mechanical behaviors of SLM printed multiscale lattice structures which were fabricated using the same metal powder and the same machine. The structural stiffness values are generally similar while the strength behaviors show a difference, which are mainly due to the irregular surface quality of the tiny structural branches of the lattice. The above evidences clearly show that the consideration of the particular behaviors of 3D printed materials is therefore indispensable for structural design and optimization in order to improve the structural performance and strengthen their practical significance.

  12. Experimental validation of 3D printed material behaviors and their influence on the structural topology design

    Science.gov (United States)

    Yang, Kai Ke; Zhu, Ji Hong; Wang, Chuang; Jia, Dong Sheng; Song, Long Long; Zhang, Wei Hong

    2018-02-01

    The purpose of this paper is to investigate the structures achieved by topology optimization and their fabrications by 3D printing considering the particular features of material microstructures and macro mechanical performances. Combining Digital Image Correlation and Optical Microscope, this paper experimentally explored the anisotropies of stiffness and strength existing in the 3D printed polymer material using Stereolithography (SLA) and titanium material using Selective Laser Melting (SLM). The standard specimens and typical structures obtained by topology optimization were fabricated along different building directions. On the one hand, the experimental results of these SLA produced structures showed stable properties and obviously anisotropic rules in stiffness, ultimate strengths and places of fractures. Further structural designs were performed using topology optimization when the particular mechanical behaviors of SLA printed materials were considered, which resulted in better structural performances compared to the optimized designs using `ideal' isotropic material model. On the other hand, this paper tested the mechanical behaviors of SLM printed multiscale lattice structures which were fabricated using the same metal powder and the same machine. The structural stiffness values are generally similar while the strength behaviors show a difference, which are mainly due to the irregular surface quality of the tiny structural branches of the lattice. The above evidences clearly show that the consideration of the particular behaviors of 3D printed materials is therefore indispensable for structural design and optimization in order to improve the structural performance and strengthen their practical significance.

  13. The Iranian version of 12-item Short Form Health Survey (SF-12: factor structure, internal consistency and construct validity

    Directory of Open Access Journals (Sweden)

    Mousavi Sayed

    2009-09-01

    Full Text Available Abstract Background The 12-item Short Form Health Survey (SF-12 as a shorter alternative of the SF-36 is largely used in health outcomes surveys. The aim of this study was to validate the SF-12 in Iran. Methods A random sample of the general population aged 15 years and over living in Tehran, Iran completed the SF-12. Reliability was estimated using internal consistency and validity was assessed using known groups comparison and convergent validity. In addition, the factor structure of the questionnaire was extracted by performing both exploratory factor analysis (EFA and confirmatory factor analysis (CFA. Results: In all, 5587 individuals were studied (2721 male and 2866 female. The mean age and formal education of the respondents were 35.1 (SD = 15.4 and 10.2 (SD = 4.4 years respectively. The results showed satisfactory internal consistency for both summary measures, that are the Physical Component Summary (PCS and the Mental Component Summary (MCS; Cronbach's α for PCS-12 and MCS-12 was 0.73 and 0.72, respectively. Known-groups comparison showed that the SF-12 discriminated well between men and women and those who differed in age and educational status (P Conclusion In general the findings suggest that the SF-12 is a reliable and valid measure of health related quality of life among Iranian population. However, further studies are needed to establish stronger psychometric properties for this alternative form of the SF-36 Health Survey in Iran.

  14. Factor structure, reliability, and validity of the Levenson's Locus of Control Scale in Iranian infertile people.

    Science.gov (United States)

    Maroufizadeh, Saman; Omani Samani, Reza; Amini, Payam; Navid, Behnaz

    2016-09-01

    This study examined psychometric properties of the Levenson's Locus of Control Scale among Iranian infertile patients. In all, 312 infertile patients completed the Levenson's Locus of Control Scale and Hospital Anxiety and Depression Scale. The confirmatory factor analysis indicated that the original three-factor model of Levenson's Locus of Control Scale was adequate ( χ 2 / df = 2.139; goodness-of-fit index = 0.88; root mean square error of approximation = 0.061; and standardized root mean square residual = 0.076). The Cronbach's alpha of the subscales ranged from 0.56 to 0.67. The Levenson's Locus of Control Scale subscales significantly correlated with anxiety and depression, showing an acceptable convergent validity. In conclusion, the Levenson's Locus of Control Scale has adequate reliability and validity and can be used to measure locus of control orientation in Iranian infertile patients.

  15. Self-Compassion Scale: IRT Psychometric Analysis, Validation, and Factor Structure – Slovak Translation

    Directory of Open Access Journals (Sweden)

    Júlia Halamová

    2018-01-01

    Full Text Available The present study verifies the psychometric properties of the Slovak version of the Self-Compassion Scale through item response theory, factor-analysis, validity analyses and norm development. The surveyed sample consisted of 1,181 participants (34% men and 66% women with a mean age of 30.30 years (SD = 12.40. Two general factors (Self-compassionate responding and Self-uncompassionate responding were identified, whereas there was no support for a single general factor of the scale and six subscales. The results of the factor analysis were supported by an independent sample of 676 participants. Therefore, the use of total score for the whole scale would be inappropriate. In Slovak language the Self-Compassion Scale should be used in the form of two general subscales (Self-compassionate responding and Self-uncompassionate responding. In line with our theoretical assumptions, we obtained relatively high Spearman’s correlation coefficients between the Self-Compassion Scale and related external variables, demonstrating construct validity for the scale. To sum up, the Slovak translation of The Self-Compassion Scale is a reliable and valid instrument that measures Self-compassionate responding and Self-uncompassionate responding.

  16. Guessing unknown and disordered solvent molecules with squeeze in the structure validation platon

    International Nuclear Information System (INIS)

    Weng, S.

    2014-01-01

    This report describes the assignment of the nature and number of solvent molecules in the refinement of several solvated crystal structures without a prior knowledge of the solvent system used for crystallization for the cases when the solvent molecule cannot be properly modeled. The solvent molecules can be assigned even for twinned crystal structures. (author)

  17. Validation of Clay Modeling as a Learning Tool for the Periventricular Structures of the Human Brain

    Science.gov (United States)

    Akle, Veronica; Peña-Silva, Ricardo A.; Valencia, Diego M.; Rincón-Perez, Carlos W.

    2018-01-01

    Visualizing anatomical structures and functional processes in three dimensions (3D) are important skills for medical students. However, contemplating 3D structures mentally and interpreting biomedical images can be challenging. This study examines the impact of a new pedagogical approach to teaching neuroanatomy, specifically how building a…

  18. Crack Detection in Fibre Reinforced Plastic Structures Using Embedded Fibre Bragg Grating Sensors: Theory, Model Development and Experimental Validation

    DEFF Research Database (Denmark)

    Pereira, Gilmar Ferreira; Mikkelsen, Lars Pilgaard; McGugan, Malcolm

    2015-01-01

    properties. When applying this concept to different structures, sensor systems and damage types, a combination of damage mechanics, monitoring technology, and modelling is required. The primary objective of this article is to demonstrate such a combination. This article is divided in three main topics......: the damage mechanism (delamination of FRP), the structural health monitoring technology (fibre Bragg gratings to detect delamination), and the finite element method model of the structure that incorporates these concepts into a final and integrated damage-monitoring concept. A novel method for assessing...... by the end-user. Conjointly, a novel model for sensor output prediction (virtual sensor) was developed using this FBG sensor crack monitoring concept and implemented in a finite element method code. The monitoring method was demonstrated and validated using glass fibre double cantilever beam specimens...

  19. The factor structure and construct validity of the inventory of callous-unemotional traits in Chinese undergraduate students.

    Science.gov (United States)

    Wang, Meng-Cheng; Gao, Yu; Deng, Jiaxin; Lai, Hongyu; Deng, Qiaowen; Armour, Cherie

    2017-01-01

    The current study assesses the factor structure and construct validity of the self-reported Inventory of Callous-Unemotional Traits (ICU) in 637 Chinese community adults (mean age = 25.98, SD = 5.79). A series of theoretical models proposed in previous studies were tested through confirmatory factor analyses. Results indicated that a shortened form that consists of 11 items (ICU-11) to assess callousness and uncaring factors has excellent overall fit. Additionally, correlations with a wide range of external variables demonstrated that this shortened form has similar construct validity compared to the original ICU. In conclusion, our findings suggest that the ICU-11 may be a promising self-report tool that could be a good substitute for the original form to assess callous-uncaring traits in adults.

  20. Structural and construct validity of the Whiplash Disability Questionnaire in adults with acute whiplash-associated disorders

    DEFF Research Database (Denmark)

    Stupar, Maja; Côté, Pierre; Beaton, Dorcas E

    2015-01-01

    BACKGROUND CONTEXT: Few instruments are available to measure disability associated with whiplash-associated disorders (WAD). The Whiplash Disability Questionnaire (WDQ) was developed to measure disability resulting from WAD, but its validity is unknown for acute WAD. PURPOSE: The aim...... included insurance claimants who were aged 18 years or older and diagnosed with acute WAD Grades I to III. All participants completed the WDQ, a 13-item questionnaire scored from 0 (no disability) to 130 (complete disability). We assessed the factor structure of the WDQ and tested its construct validity...... against self-perceived recovery, neck pain (Numerical Rating Scale [NRS]), neck disability (Neck Disability Index [NDI] and Neck Bournemouth Questionnaire), health-related quality of life (36-Item Short Form Health Survey [SF-36]), and depressive symptoms (Center for Epidemiologic Studies Depression Scale...

  1. Psychometric Properties and Structural Validity of the Short Version of the Personality Beliefs Questionnaire (PBQ-SF

    Directory of Open Access Journals (Sweden)

    Rubén Darío Manrique Hernández

    2016-06-01

    Full Text Available The Personality Belief Questionnaire- Short Form (PBQ-SF is an assessment instrument of personality beliefs based on the cognitive theory that states that these are characterized by a specific pattern of dysfunctional thoughts. The objective of this study was to establish the psychometric properties and structural validity of the PBQ-SF questionnaire in Colombian adults from 18 to 35 years old. To carry out the above and with permission of the author the validation process was initiated following a thorough and rigorous process that led to a final version of the PBQ-SF applied to 1423 persons born in Colombia and living in nine Colombian cities. Analysis of internal consistency among the items (Cronbach´s alpha, confirmatory factor analysis and calculus of goodness of fit estimators were performed. It was found that the Internal consistency of the domains varied from 0,65 for avoidant disorder up to 0,83 for paranoid disorder.

  2. The factor structure and construct validity of the inventory of callous-unemotional traits in Chinese undergraduate students.

    Directory of Open Access Journals (Sweden)

    Meng-Cheng Wang

    Full Text Available The current study assesses the factor structure and construct validity of the self-reported Inventory of Callous-Unemotional Traits (ICU in 637 Chinese community adults (mean age = 25.98, SD = 5.79. A series of theoretical models proposed in previous studies were tested through confirmatory factor analyses. Results indicated that a shortened form that consists of 11 items (ICU-11 to assess callousness and uncaring factors has excellent overall fit. Additionally, correlations with a wide range of external variables demonstrated that this shortened form has similar construct validity compared to the original ICU. In conclusion, our findings suggest that the ICU-11 may be a promising self-report tool that could be a good substitute for the original form to assess callous-uncaring traits in adults.

  3. Validation of a numerical 3-D fluid-structure interaction model for a prosthetic valve based on experimental PIV measurements.

    Science.gov (United States)

    Guivier-Curien, Carine; Deplano, Valérie; Bertrand, Eric

    2009-10-01

    A numerical 3-D fluid-structure interaction (FSI) model of a prosthetic aortic valve was developed, based on a commercial computational fluid dynamics (CFD) software program using an Arbitrary Eulerian Lagrangian (ALE) formulation. To make sure of the validity of this numerical model, an equivalent experimental model accounting for both the geometrical features and the hydrodynamic conditions was also developed. The leaflet and the flow behaviours around the bileaflet valve were investigated numerically and experimentally by performing particle image velocimetry (PIV) measurements. Through quantitative and qualitative comparisons, it was shown that the leaflet behaviour and the velocity fields were similar in both models. The present study allows the validation of a fully coupled 3-D FSI numerical model. The promising numerical tool could be therefore used to investigate clinical issues involving the aortic valve.

  4. Is structured observation a valid technique to measure handwashing behavior? Use of acceleration sensors embedded in soap to assess reactivity to structured observation.

    Science.gov (United States)

    Ram, Pavani K; Halder, Amal K; Granger, Stewart P; Jones, Therese; Hall, Peter; Hitchcock, David; Wright, Richard; Nygren, Benjamin; Islam, M Sirajul; Molyneaux, John W; Luby, Stephen P

    2010-11-01

    Structured observation is often used to evaluate handwashing behavior. We assessed reactivity to structured observation in rural Bangladesh by distributing soap containing acceleration sensors and performing structured observation 4 days later. Sensors recorded the number of times soap was moved. In 45 participating households, the median number of sensor soap movements during the 5-hour time block on pre-observation days was 3.7 (range 0.3-10.6). During the structured observation, the median number of sensor soap movements was 5.0 (range 0-18.0), a 35% increase, P = 0.0004. Compared with the same 5-hour time block on pre-observation days, the number of sensor soap movements increased during structured observation by ≥ 20% in 62% of households, and by ≥ 100% in 22% of households. The increase in sensor soap movements during structured observation, compared with pre-observation days, indicates substantial reactivity to the presence of the observer. These findings call into question the validity of structured observation for measurement of handwashing behavior.

  5. Is Structured Observation a Valid Technique to Measure Handwashing Behavior? Use of Acceleration Sensors Embedded in Soap to Assess Reactivity to Structured Observation

    Science.gov (United States)

    Ram, Pavani K.; Halder, Amal K.; Granger, Stewart P.; Jones, Therese; Hall, Peter; Hitchcock, David; Wright, Richard; Nygren, Benjamin; Islam, M. Sirajul; Molyneaux, John W.; Luby, Stephen P.

    2010-01-01

    Structured observation is often used to evaluate handwashing behavior. We assessed reactivity to structured observation in rural Bangladesh by distributing soap containing acceleration sensors and performing structured observation 4 days later. Sensors recorded the number of times soap was moved. In 45 participating households, the median number of sensor soap movements during the 5-hour time block on pre-observation days was 3.7 (range 0.3–10.6). During the structured observation, the median number of sensor soap movements was 5.0 (range 0–18.0), a 35% increase, P = 0.0004. Compared with the same 5-hour time block on pre-observation days, the number of sensor soap movements increased during structured observation by ≥ 20% in 62% of households, and by ≥ 100% in 22% of households. The increase in sensor soap movements during structured observation, compared with pre-observation days, indicates substantial reactivity to the presence of the observer. These findings call into question the validity of structured observation for measurement of handwashing behavior. PMID:21036840

  6. Self-administered structured food record for measuring individual energy and nutrient intake in large cohorts: Design and validation.

    Science.gov (United States)

    García, Silvia M; González, Claudio; Rucci, Enzo; Ambrosino, Cintia; Vidal, Julia; Fantuzzi, Gabriel; Prestes, Mariana; Kronsbein, Peter

    2018-06-05

    Several instruments developed to assess dietary intake of groups or populations have strengths and weaknesses that affect their specific application. No self-administered, closed-ended dietary survey was previously used in Argentina to assess current food and nutrient intake on a daily basis. To design and validate a self-administered, structured food record (NutriQuid, NQ) representative of the adult Argentine population's food consumption pattern to measure individual energy and nutrient intake. Records were loaded onto a database using software that checks a regional nutrition information system (SARA program), automatically quantifying energy and nutrient intake. NQ validation included two phases: (1) NQ construct validity comparing records kept simultaneously by healthy volunteers (45-75 years) and a nutritionist who provided meals (reference), and (2) verification of whether NQ reflected target population consumption (calories and nutrients), week consumption differences, respondent acceptability, and ease of data entry/analysis. Data analysis included descriptive statistics, repeated measures ANOVA, intraclass correlation coefficient, nonparametric regression, and cross-classification into quintiles. The first validation (study group vs. reference) showed an underestimation (10%) of carbohydrate, fat, and energy intake. Second validation: 109 volunteers (91% response) completed the NQ for seven consecutive days. Record completion took about 9min/day, and data entry 3-6min. Mean calorie intake was 2240±119kcal/day (42% carbohydrates, 17% protein, and 41% fat). Intake significantly increased in the weekend. NQ is a simple and efficient tool to assess dietary intake in large samples. Copyright © 2018 SEEN y SED. Publicado por Elsevier España, S.L.U. All rights reserved.

  7. Structural and construct validity of the Whiplash Disability Questionnaire in adults with acute whiplash-associated disorders.

    Science.gov (United States)

    Stupar, Maja; Côté, Pierre; Beaton, Dorcas E; Boyle, Eleanor; Cassidy, J David

    2015-11-01

    Few instruments are available to measure disability associated with whiplash-associated disorders (WAD). The Whiplash Disability Questionnaire (WDQ) was developed to measure disability resulting from WAD, but its validity is unknown for acute WAD. The aim was to determine the structural and construct validity of the WDQ in individuals with acute WAD. This was a cohort study. Ontario adults with WAD were enrolled within 3 weeks of their motor vehicle collision. The outcome measure was the WDQ. We included insurance claimants who were aged 18 years or older and diagnosed with acute WAD Grades I to III. All participants completed the WDQ, a 13-item questionnaire scored from 0 (no disability) to 130 (complete disability). We assessed the factor structure of the WDQ and tested its construct validity against self-perceived recovery, neck pain (Numerical Rating Scale [NRS]), neck disability (Neck Disability Index [NDI] and Neck Bournemouth Questionnaire), health-related quality of life (36-Item Short Form Health Survey [SF-36]), and depressive symptoms (Center for Epidemiologic Studies Depression Scale [CES-D]). The mean age of the 130 participants was 42.1 years (standard deviation [SD]=13.2), and 70% were women. Twenty-six percent had WAD I, 73.1% had WAD II, and 0.8% had WAD III. Mean time since injury was 6.5 days (SD=4.9). The mean WDQ score was 49.8 (SD=29.1). Our analysis suggested that the WDQ includes two factors: daily activities and emotional status. This factor structure remained stable in sensitivity analyses (eg, zeros imputed for missing values, and the item with the most missing values or resulting in complex loading excluded). Strong correlations were found between the total WDQ score and the NDI, the Bournemouth questionnaire, the SF-36 physical function, and the NRS (for the neck, shoulder, mid and low back pain) satisfying a priori hypotheses. We found a priori hypothesized moderate correlations between the WDQ, and the CES-D and SF-36 mental function

  8. The Iranian version of 12-item Short Form Health Survey (SF-12): factor structure, internal consistency and construct validity.

    Science.gov (United States)

    Montazeri, Ali; Vahdaninia, Mariam; Mousavi, Sayed Javad; Omidvari, Speideh

    2009-09-16

    The 12-item Short Form Health Survey (SF-12) as a shorter alternative of the SF-36 is largely used in health outcomes surveys. The aim of this study was to validate the SF-12 in Iran. A random sample of the general population aged 15 years and over living in Tehran, Iran completed the SF-12. Reliability was estimated using internal consistency and validity was assessed using known groups comparison and convergent validity. In addition, the factor structure of the questionnaire was extracted by performing both exploratory factor analysis (EFA) and confirmatory factor analysis (CFA). In all, 5587 individuals were studied (2721 male and 2866 female). The mean age and formal education of the respondents were 35.1 (SD = 15.4) and 10.2 (SD = 4.4) years respectively. The results showed satisfactory internal consistency for both summary measures, that are the Physical Component Summary (PCS) and the Mental Component Summary (MCS); Cronbach's alpha for PCS-12 and MCS-12 was 0.73 and 0.72, respectively. Known-groups comparison showed that the SF-12 discriminated well between men and women and those who differed in age and educational status (P < 0.001). In addition, correlations between the SF-12 scales and single items showed that the physical functioning, role physical, bodily pain and general health subscales correlated higher with the PCS-12 score, while the vitality, social functioning, role emotional and mental health subscales more correlated with the MCS-12 score lending support to its good convergent validity. Finally the principal component analysis indicated a two-factor structure (physical and mental health) that jointly accounted for 57.8% of the variance. The confirmatory factory analysis also indicated a good fit to the data for the two-latent structure (physical and mental health). In general the findings suggest that the SF-12 is a reliable and valid measure of health related quality of life among Iranian population. However, further studies are needed to

  9. Structural validity and reliability of the Positive and Negative Affect Schedule (PANAS): evidence from a large Brazilian community sample.

    Science.gov (United States)

    Carvalho, Hudson W de; Andreoli, Sérgio B; Lara, Diogo R; Patrick, Christopher J; Quintana, Maria Inês; Bressan, Rodrigo A; Melo, Marcelo F de; Mari, Jair de J; Jorge, Miguel R

    2013-01-01

    Positive and negative affect are the two psychobiological-dispositional dimensions reflecting proneness to positive and negative activation that influence the extent to which individuals experience life events as joyful or as distressful. The Positive and Negative Affect Schedule (PANAS) is a structured questionnaire that provides independent indexes of positive and negative affect. This study aimed to validate a Brazilian interview-version of the PANAS by means of factor and internal consistency analysis. A representative community sample of 3,728 individuals residing in the cities of São Paulo and Rio de Janeiro, Brazil, voluntarily completed the PANAS. Exploratory structural equation model analysis was based on maximum likelihood estimation and reliability was calculated via Cronbach's alpha coefficient. Our results provide support for the hypothesis that the PANAS reliably measures two distinct dimensions of positive and negative affect. The structure and reliability of the Brazilian version of the PANAS are consistent with those of its original version. Taken together, these results attest the validity of the Brazilian adaptation of the instrument.

  10. Investigating structure and function in the healthy human brain: validity of acute versus chronic lesion-symptom mapping.

    Science.gov (United States)

    Karnath, Hans-Otto; Rennig, Johannes

    2017-07-01

    Modern voxel-based lesion-symptom mapping (VLSM) analyses techniques provide powerful tools to examine the relationship between structure and function of the healthy human brain. However, there is still uncertainty on the type of and the appropriate time point of imaging and of behavioral testing for such analyses. Here we tested the validity of the three most common combinations of structural imaging data and behavioral scores used in VLSM analyses. Given the established knowledge about the neural substrate of the primary motor system in humans, we asked the mundane question of where the motor system is represented in the normal human brain, analyzing individual arm motor function of 60 unselected stroke patients. Only the combination of acute behavioral scores and acute structural imaging precisely identified the principal brain area for the emergence of hemiparesis after stroke, i.e., the corticospinal tract (CST). In contrast, VLSM analyses based on chronic behavior-in combination with either chronic or acute imaging-required the exclusion of patients who had recovered from an initial paresis to reveal valid anatomical results. Thus, if the primary research aim of a VLSM lesion analysis is to uncover the neural substrates of a certain function in the healthy human brain and if no longitudinal designs with repeated evaluations are planned, the combination of acute imaging and behavior represents the ideal dataset.

  11. [Validation of the structure and resources of nosocomial infection control team in hospitals ascribed to VINCat program in Catalonia, Spain].

    Science.gov (United States)

    Limón, Enrique; Pujol, Miquel; Gudiol, Francesc

    2014-07-01

    The main objective of this study was to validate the structure of the infection control team (ICT) in the hospitals adhered to VINCat program and secondary objective was to establish the consistency of resources of each center with the requirements established by the program. Qualitative research consisting of an ethnographic study using participant observation during the years 2008-2010. The centers were stratified in three groups by complexity and beds. The instrument was a semistructured interview to members of the ICT. The transcription of the interview was sent to informants for validation. In November 2010 a questionnaire regarding human resources and number hours dedicated to the ICT was sent. During 2008-2010, 65 centers had been adhered to VINCat program. In 2010, the ICT of Group I hospitals had a mean of two physician, one in full-time and one nurse for every 230 beds. In Group II, one physician part-time and one nurse per 180 beds and in Group III a physician and a nurse for every 98 beds, both part-time. In 2010, all hospitals had a structured ICT, an operative infection committee, and a hospital member representing the center at the program as well as enough electronic resources. The hospitals participating in the program have now VINCat an adequate surveillance structure and meet the minimum technical and human resources required to provide high-quality data. However human resources are not guaranteed. Copyright © 2014. Published by Elsevier Espana.

  12. Adaptive pressure-controlled cellular structures for shape morphing: II. Numerical and experimental validation

    International Nuclear Information System (INIS)

    Luo, Quantian; Tong, Liyong

    2013-01-01

    This part presents finite element analysis to verify the present formulations on mechanics of the pressurized cellular structures derived in Part I and experimental testing for a pressurized cellular actuator to demonstrate feasibility and realization of the proposed pressurized cellular structures. Linear and nonlinear finite element analyses are implemented in a commercial finite element analysis package and the numerical results are compared with those of the novel formulations given in Part I. A pressurized cellular structure specimen with 3 cells is fabricated and tested. The fabricated 3-cell cellular structure is capable of yielding a free actuation strain of around 24%. The measured pressure-induced displacement and blocking force compare favorably with the numerical results predicted by the finite element analysis and analytical formulations. (paper)

  13. New tools and new ideas for HR practitioners. Structural and predictive validity of weighted satisfaction questionnaire

    Directory of Open Access Journals (Sweden)

    Lorenzo Revuelto Taboada

    2012-12-01

    Full Text Available One of the fundamental tasks for an Human Resource Management (HRM practitioner consists in designing a reward system that can be broadly understood and can influence the attitudes and, subsequently, the behavior of individuals to permit achievement of organizational objectives. To do so, appropriate tools are necessary to allow key actions to be identified in terms of motivating employees; thereby, avoiding opportunistic costs derived from allocating resources needed to close the gap in employee satisfaction, with regard to non-priority factors for workers in satisfying their own personal needs. This article, thus, presents a dual assessment scale consisting of 44 items, categorized into six dimensions, which firstly evaluates the importance of motivation and, secondly, the level of satisfaction with the current situation for each of the 44 factors considered. Using a sample of 801 individuals, we analyzedthe internal consistency, face validity, and predictive validity of the measuring scales, obtaining a series of results that were, to say the least, promising

  14. Validation of the factor structure of the adolescent dissociative experiences scale in a sample of trauma-exposed detained youth.

    Science.gov (United States)

    Kerig, Patricia K; Charak, Ruby; Chaplo, Shannon D; Bennett, Diana C; Armour, Cherie; Modrowski, Crosby A; McGee, Andrew B

    2016-09-01

    The inclusion of a dissociative subtype in the Diagnostic and Statistical Manual of Mental Disorders (5th ed.; DSM–5 ) criteria for the diagnosis of posttraumatic stress disorder (PTSD) has highlighted the need for valid and reliable measures of dissociative symptoms across developmental periods. The Adolescent Dissociative Experiences Scale (A-DES) is 1 of the few measures validated for young persons, but previous studies have yielded inconsistent results regarding its factor structure. Further, research to date on the A-DES has been based upon nonclinical samples of youth or those without a known history of trauma. To address these gaps in the literature, the present study investigated the factor structure and construct validity of the A-DES in a sample of highly trauma-exposed youth involved in the juvenile justice system. A sample of 784 youth (73.7% boys) recruited from a detention center completed self-report measures of trauma exposure and the A-DES, a subset of whom (n = 212) also completed a measure of PTSD symptoms. Confirmatory factor analyses revealed a best fitting 3-factor structure comprised of depersonalization or derealization, amnesia, and loss of conscious control, with configural and metric invariance across gender. Logistic regression analyses indicated that the depersonalization or derealization factor effectively distinguished between those youth who did and did not likely meet criteria for a diagnosis of PTSD as well as those with PTSD who did and did not likely meet criteria for the dissociative subtype. These results provide support for the multidimensionality of the construct of posttraumatic dissociation and contribute to the understanding of the dissociative subtype of PTSD among adolescents. (PsycINFO Database Record PsycINFO Database Record (c) 2016 APA, all rights reserved

  15. Multilevel Factor Structure and Concurrent Validity of the Teacher Version of the Authoritative School Climate Survey.

    Science.gov (United States)

    Huang, Francis L; Cornell, Dewey G; Konold, Timothy; Meyer, Joseph P; Lacey, Anna; Nekvasil, Erin K; Heilbrun, Anna; Shukla, Kathan D

    2015-12-01

    School climate is well recognized as an important influence on student behavior and adjustment to school, but there is a need for theory-guided measures that make use of teacher perspectives. Authoritative school climate theory hypothesizes that a positive school climate is characterized by high levels of disciplinary structure and student support. A teacher version of the Authoritative School Climate Survey (ASCS) was administered to a statewide sample of 9099 7th- and 8th-grade teachers from 366 schools. The study used exploratory and multilevel confirmatory factor analyses (MCFA) that accounted for the nested data structure and allowed for the modeling of the factor structures at 2 levels. Multilevel confirmatory factor analyses conducted on both an exploratory (N = 4422) and a confirmatory sample (N = 4677) showed good support for the factor structures investigated. Factor correlations at 2 levels indicated that schools with greater levels of disciplinary structure and student support had higher student engagement, less teasing and bullying, and lower student aggression toward teachers. The teacher version of the ASCS can be used to assess 2 key domains of school climate and associated measures of student engagement and aggression toward peers and teachers. © 2015, American School Health Association.

  16. Application and validation of the notch master curve in medium and high strength structural steels

    Energy Technology Data Exchange (ETDEWEB)

    Cicero, Sergio; Garcia, Tiberio [Universidad de Cantabria, Santander (Spain); Madrazo, Virginia [PCTCAN, Santander (Spain)

    2015-10-15

    This paper applies and validates the Notch master curve in two ferritic steels with medium (steel S460M) and high (steel S690Q) strength. The Notch master curve is an engineering tool that allows the fracture resistance of notched ferritic steels operating within their corresponding ductile-to-brittle transition zone to be estimated. It combines the Master curve and the Theory of critical distances in order to take into account the temperature and the notch effect respectively, assuming that both effects are independent. The results, derived from 168 fracture tests on notched specimens, demonstrate the capability of the Notch master curve for the prediction of the fracture resistance of medium and high strength ferritic steels operating within their ductile-to-brittle transition zone and containing notches.

  17. Simulation of High Velocity Impact on Composite Structures - Model Implementation and Validation

    Science.gov (United States)

    Schueler, Dominik; Toso-Pentecôte, Nathalie; Voggenreiter, Heinz

    2016-08-01

    High velocity impact on composite aircraft structures leads to the formation of flexural waves that can cause severe damage to the structure. Damage and failure can occur within the plies and/or in the resin rich interface layers between adjacent plies. In the present paper a modelling methodology is documented that captures intra- and inter-laminar damage and their interrelations by use of shell element layers representing sub-laminates that are connected with cohesive interface layers to simulate delamination. This approach allows the simulation of large structures while still capturing the governing damage mechanisms and their interactions. The paper describes numerical algorithms for the implementation of a Ladevèze continuum damage model for the ply and methods to derive input parameters for the cohesive zone model. By comparison with experimental results from gas gun impact tests the potential and limitations of the modelling approach are discussed.

  18. Latent structure and reliability analysis of the measure of body apperception: cross-validation for head and neck cancer patients.

    Science.gov (United States)

    Jean-Pierre, Pascal; Fundakowski, Christopher; Perez, Enrique; Jean-Pierre, Shadae E; Jean-Pierre, Ashley R; Melillo, Angelica B; Libby, Rachel; Sargi, Zoukaa

    2013-02-01

    Cancer and its treatments are associated with psychological distress that can negatively impact self-perception, psychosocial functioning, and quality of life. Patients with head and neck cancers (HNC) are particularly susceptible to psychological distress. This study involved a cross-validation of the Measure of Body Apperception (MBA) for HNC patients. One hundred and twenty-two English-fluent HNC patients between 20 and 88 years of age completed the MBA on a Likert scale ranging from "1 = disagree" to "4 = agree." We assessed the latent structure and internal consistency reliability of the MBA using Principal Components Analysis (PCA) and Cronbach's coefficient alpha (α), respectively. We determined convergent and divergent validities of the MBA using correlations with the Hospital Anxiety and Depression Scale (HADS), observer disfigurement rating, and patients' clinical and demographic variables. The PCA revealed a coherent set of items that explained 38 % of the variance. The Kaiser-Meyer-Olkin measure of sampling adequacy was 0.73 and the Bartlett's test of sphericity was statistically significant (χ (2) (28) = 253.64; p 0.05). The MBA is a valid and reliable screening measure of body apperception for HNC patients.

  19. The Smoking Consequences Questionnaire: Factor structure and predictive validity among Spanish-speaking Latino smokers in the United States.

    Science.gov (United States)

    Vidrine, Jennifer Irvin; Vidrine, Damon J; Costello, Tracy J; Mazas, Carlos; Cofta-Woerpel, Ludmila; Mejia, Luz Maria; Wetter, David W

    2009-11-01

    Much of the existing research on smoking outcome expectancies has been guided by the Smoking Consequences Questionnaire (SCQ ). Although the original version of the SCQ has been modified over time for use in different populations, none of the existing versions have been evaluated for use among Spanish-speaking Latino smokers in the United States. The present study evaluated the factor structure and predictive validity of the 3 previously validated versions of the SCQ--the original, the SCQ-Adult, and the SCQ-Spanish, which was developed with Spanish-speaking smokers in Spain--among Spanish-speaking Latino smokers in Texas. The SCQ-Spanish represented the least complex solution. Each of the SCQ-Spanish scales had good internal consistency, and the predictive validity of the SCQ-Spanish was partially supported. Nearly all the SCQ-Spanish scales predicted withdrawal severity even after controlling for demographics and dependence. Boredom Reduction predicted smoking relapse across the 5- and 12-week follow-up assessments in a multivariate model that also controlled for demographics and dependence. Our results support use of the SCQ-Spanish with Spanish-speaking Latino smokers in the United States.

  20. Protein Structure Validation and Refinement Using Chemical Shifts Derived from Quantum Mechanics

    DEFF Research Database (Denmark)

    Bratholm, Lars Andersen

    to within 3 A. Furthermore, a fast quantum mechanics based chemical shift predictor was developed together with methodology for using chemical shifts in structure simulations. The developed predictor was used for renement of several protein structures and for reducing the computational cost of quantum...... mechanics / molecular mechanics (QM/MM) computations of chemical shieldings. Several improvements to the predictor is ongoing, where among other things, kernel based machine learning techniques have successfully been used to improve the quantum mechanical level of theory used in the predictions....

  1. Validation of ultrasonography in detecting structural disease of the urogenital tract of the koala, Phascolarctos cinereus.

    Science.gov (United States)

    Marschner, C; Flanagan, C; Higgins, D P; Krockenberger, M B

    2014-05-01

    A retrospective review of case records of ultrasonography and necropsy outcomes of 62 koalas was used to investigate the accuracy of ultrasonography in assessing koala urogenital tract structural disease at the Port Macquarie Koala Hospital. The results showed high concordance, supporting ultrasonography as an effective tool for evaluating structural disease of the koala urogenital tract, most commonly seen with chlamydiosis. The study also illustrates the advances benefiting animal welfare that can be made by wildlife carer groups through using a scientific, evidence-based approach. © 2014 Australian Veterinary Association.

  2. Delaware School Climate Survey--Student: Its Factor Structure, Concurrent Validity, and Reliability

    Science.gov (United States)

    Bear, George G.; Gaskins, Clare; Blank, Jessica; Chen, Fang Fang

    2011-01-01

    The Delaware School Climate Survey-Student (DSCS-S) was developed to provide schools with a brief and psychometrically sound student survey for assessing school climate, particularly the dimensions of social support and structure. Confirmatory factor analyses, conducted on a sample of 11,780 students in 85 schools, showed that a bifactor model…

  3. The Relationship of Bureaucratic Structure to School Climate: An Exploratory Factor Analysis of Construct Validity

    Science.gov (United States)

    Lennon, Patricia A.

    2010-01-01

    This researcher examined the relationship of bureaucratic structure to school climate by means of an exploratory factor analysis of a measure of bureaucracy developed by Hoy and Sweetland (2000) and the four dimensional measure of climate developed by Hoy, Smith, and Sweetland (2002). Since there had been no other empirical studies whose authors…

  4. Selling oneself: construct and criterion-related validity of impression management in structured interviews

    NARCIS (Netherlands)

    Kleinmann, M.; Klehe, U.-C.

    2010-01-01

    Interviewee impression management has been a long-standing concern in the interview literature. Yet recent insights into the impact of impression management on interviewee performance in structured interviews suggest that interviewee impression management may be more than just a source of bias and a

  5. Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics

    DEFF Research Database (Denmark)

    Christensen, Anders Steen; Linnet, Troels Emtekær; Borg, Mikael

    2013-01-01

    We present the ProCS method for the rapid and accurate prediction of protein backbone amide proton chemical shifts - sensitive probes of the geometry of key hydrogen bonds that determine protein structure. ProCS is parameterized against quantum mechanical (QM) calculations and reproduces high level...

  6. Childhood Trauma Questionnaire: factor structure, measurement invariance, and validity across emotional disorders

    NARCIS (Netherlands)

    Spinhoven, P.; Penninx, B.W.; Hickendorff, M.; van Hemert, A.M.; Bernstein, D.P.; Elzinga, B.M.

    2014-01-01

    To study the psychometric properties of the Childhood Trauma Questionnaire-Short Form (CTQ-SF), we determined its dimensional structure, measurement invariance across presence of emotional disorders, the association of the CTQ-SF with an analogous interview-based measure (CTI) across presence of

  7. The Student Perception of University Support and Structure Scale: Development and Validation

    Science.gov (United States)

    Wintre, Maxine G.; Gates, Shawn K. E.; Pancer, W. Mark; Pratt, Michael S.; Polivy, Janet; Birnie-Lefcovitch, S.; Adams, Gerald

    2009-01-01

    A new scale, the Student Perception of University Support and Structure Scale (SPUSS), was developed for research on the transition to university. The scale was based on concepts derived from Baumrind's (1971) theory of parenting styles. Data were obtained from two separate cohorts of freshmen (n=759 and 397) attending six Canadian universities of…

  8. Multilevel Factor Structure and Concurrent Validity of the Teacher Version of the Authoritative School Climate Survey

    Science.gov (United States)

    Huang, Francis L.; Cornell, Dewey G.; Konold, Timothy; Meyer, Joseph P.; Lacey, Anna; Nekvasil, Erin K.; Heilbrun, Anna; Shukla, Kathan D.

    2015-01-01

    Background: School climate is well recognized as an important influence on student behavior and adjustment to school, but there is a need for theory-guided measures that make use of teacher perspectives. Authoritative school climate theory hypothesizes that a positive school climate is characterized by high levels of disciplinary structure and…

  9. Functional validation of Ca2+-binding residues from the crystal structure of the BK ion channel.

    Science.gov (United States)

    Kshatri, Aravind S; Gonzalez-Hernandez, Alberto J; Giraldez, Teresa

    2018-04-01

    BK channels are dually regulated by voltage and Ca 2+ , providing a cellular mechanism to couple electrical and chemical signalling. Intracellular Ca 2+ concentration is sensed by a large cytoplasmic region in the channel known as "gating ring", which is formed by four tandems of regulator of conductance for K + (RCK1 and RCK2) domains. The recent crystal structure of the full-length BK channel from Aplysia californica has provided new information about the residues involved in Ca 2+ coordination at the high-affinity binding sites located in the RCK1 and RCK2 domains, as well as their cooperativity. Some of these residues have not been previously studied in the human BK channel. In this work we have investigated, through site directed mutagenesis and electrophysiology, the effects of these residues on channel activation by voltage and Ca 2+ . Our results demonstrate that the side chains of two non-conserved residues proposed to coordinate Ca 2+ in the A. californica structure (G523 and E591) have no apparent functional role in the human BK Ca 2+ sensing mechanism. Consistent with the crystal structure, our data indicate that in the human channel the conserved residue R514 participates in Ca 2+ coordination in the RCK1 binding site. Additionally, this study provides functional evidence indicating that R514 also interacts with residues E902 and Y904 connected to the Ca 2+ binding site in RCK2. Interestingly, it has been proposed that this interaction may constitute a structural correlate underlying the cooperative interactions between the two high-affinity Ca 2+ binding sites regulating the Ca 2+ dependent gating of the BK channel. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. FEM validation of a double porosity elastic model for consolidation of structurally complex clayey soils

    Science.gov (United States)

    Callari, C.; Federico, F.

    2000-04-01

    Laboratory consolidation of structured clayey soils is analysed in this paper. The research is carried out by two different methods. The first one treats the soil as an isotropic homogeneous equivalent Double Porosity (DP) medium. The second method rests on the extensive application of the Finite Element Method (FEM) to combinations of different soils, composing 2D or fully 3D ordered structured media that schematically discretize the complex material. Two reference problems, representing typical situations of 1D laboratory consolidation of structured soils, are considered. For each problem, solution is obtained through integration of the equations governing the consolidation of the DP medium as well as via FEM applied to the ordered schemes composed of different materials. The presence of conventional experimental devices to ensure the drainage of the sample is taken into account through appropriate boundary conditions. Comparison of FEM results with theoretical results clearly points out the ability of the DP model to represent consolidation processes of structurally complex soils. Limits of applicability of the DP model may arise when the rate of fluid exchange between the two porous systems is represented through oversimplified relations. Results of computations, obtained having assigned reasonable values to the meso-structural and to the experimental apparatus parameters, point out that a partially efficient drainage apparatus strongly influences the distribution along the sample and the time evolution of the interstitial water pressure acting in both systems of pores. Data of consolidation tests in a Rowe's cell on samples of artificially fissured clays reported in the literature are compared with the analytical and numerical results showing a significant agreement.

  11. Damage tolerance modeling and validation of a wireless sensory composite panel for a structural health monitoring system

    Science.gov (United States)

    Talagani, Mohamad R.; Abdi, Frank; Saravanos, Dimitris; Chrysohoidis, Nikos; Nikbin, Kamran; Ragalini, Rose; Rodov, Irena

    2013-05-01

    The paper proposes the diagnostic and prognostic modeling and test validation of a Wireless Integrated Strain Monitoring and Simulation System (WISMOS). The effort verifies a hardware and web based software tool that is able to evaluate and optimize sensorized aerospace composite structures for the purpose of Structural Health Monitoring (SHM). The tool is an extension of an existing suite of an SHM system, based on a diagnostic-prognostic system (DPS) methodology. The goal of the extended SHM-DPS is to apply multi-scale nonlinear physics-based Progressive Failure analyses to the "as-is" structural configuration to determine residual strength, remaining service life, and future inspection intervals and maintenance procedures. The DPS solution meets the JTI Green Regional Aircraft (GRA) goals towards low weight, durable and reliable commercial aircraft. It will take advantage of the currently developed methodologies within the European Clean sky JTI project WISMOS, with the capability to transmit, store and process strain data from a network of wireless sensors (e.g. strain gages, FBGA) and utilize a DPS-based methodology, based on multi scale progressive failure analysis (MS-PFA), to determine structural health and to advice with respect to condition based inspection and maintenance. As part of the validation of the Diagnostic and prognostic system, Carbon/Epoxy ASTM coupons were fabricated and tested to extract the mechanical properties. Subsequently two composite stiffened panels were manufactured, instrumented and tested under compressive loading: 1) an undamaged stiffened buckling panel; and 2) a damaged stiffened buckling panel including an initial diamond cut. Next numerical Finite element models of the two panels were developed and analyzed under test conditions using Multi-Scale Progressive Failure Analysis (an extension of FEM) to evaluate the damage/fracture evolution process, as well as the identification of contributing failure modes. The comparisons

  12. Discriminant and concurrent validity of a simplified DSM-based structured diagnostic instrument for the assessment of autism spectrum disorders in youth and young adults

    Directory of Open Access Journals (Sweden)

    Joshi Gagan

    2011-12-01

    Full Text Available Abstract Background To evaluate the concurrent and discriminant validity of a brief DSM-based structured diagnostic interview for referred individuals with autism spectrum disorders (ASDs. Methods To test concurrent validity, we assessed the structured interview's agreement in 123 youth with the expert clinician assessment and the Social Responsiveness Scale (SRS. Discriminant validity was examined using 1563 clinic-referred youth. Results The structured diagnostic interview and SRS were highly sensitive indicators of the expert clinician assessment. Equally strong was the agreement between the structured interview and SRS. We found evidence for high specificity for the structured interview. Conclusions A simplified DSM-based ASD structured diagnostic interview could serve as a useful diagnostic aid in the assessment of subjects with ASDs in clinical and research settings.

  13. Structural biomechanics of the craniomaxillofacial skeleton under maximal masticatory loading: Inferences and critical analysis based on a validated computational model.

    Science.gov (United States)

    Pakdel, Amir R; Whyne, Cari M; Fialkov, Jeffrey A

    2017-06-01

    The trend towards optimizing stabilization of the craniomaxillofacial skeleton (CMFS) with the minimum amount of fixation required to achieve union, and away from maximizing rigidity, requires a quantitative understanding of craniomaxillofacial biomechanics. This study uses computational modeling to quantify the structural biomechanics of the CMFS under maximal physiologic masticatory loading. Using an experimentally validated subject-specific finite element (FE) model of the CMFS, the patterns of stress and strain distribution as a result of physiological masticatory loading were calculated. The trajectories of the stresses were plotted to delineate compressive and tensile regimes over the entire CMFS volume. The lateral maxilla was found to be the primary vertical buttress under maximal bite force loading, with much smaller involvement of the naso-maxillary buttress. There was no evidence that the pterygo-maxillary region is a buttressing structure, counter to classical buttress theory. The stresses at the zygomatic sutures suggest that two-point fixation of zygomatic complex fractures may be sufficient for fixation under bite force loading. The current experimentally validated biomechanical FE model of the CMFS is a practical tool for in silico optimization of current practice techniques and may be used as a foundation for the development of design criteria for future technologies for the treatment of CMFS injury and disease. Copyright © 2017 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

  14. Cluster analysis of novel isometric strength measures produces a valid and evidence-based classification structure for wheelchair track racing.

    Science.gov (United States)

    Connick, Mark J; Beckman, Emma; Vanlandewijck, Yves; Malone, Laurie A; Blomqvist, Sven; Tweedy, Sean M

    2017-11-25

    The Para athletics wheelchair-racing classification system employs best practice to ensure that classes comprise athletes whose impairments cause a comparable degree of activity limitation. However, decision-making is largely subjective and scientific evidence which reduces this subjectivity is required. To evaluate whether isometric strength tests were valid for the purposes of classifying wheelchair racers and whether cluster analysis of the strength measures produced a valid classification structure. Thirty-two international level, male wheelchair racers from classes T51-54 completed six isometric strength tests evaluating elbow extensors, shoulder flexors, trunk flexors and forearm pronators and two wheelchair performance tests-Top-Speed (0-15 m) and Top-Speed (absolute). Strength tests significantly correlated with wheelchair performance were included in a cluster analysis and the validity of the resulting clusters was assessed. All six strength tests correlated with performance (r=0.54-0.88). Cluster analysis yielded four clusters with reasonable overall structure (mean silhouette coefficient=0.58) and large intercluster strength differences. Six athletes (19%) were allocated to clusters that did not align with their current class. While the mean wheelchair racing performance of the resulting clusters was unequivocally hierarchical, the mean performance of current classes was not, with no difference between current classes T53 and T54. Cluster analysis of isometric strength tests produced classes comprising athletes who experienced a similar degree of activity limitation. The strength tests reported can provide the basis for a new, more transparent, less subjective wheelchair racing classification system, pending replication of these findings in a larger, representative sample. This paper also provides guidance for development of evidence-based systems in other Para sports. © Article author(s) (or their employer(s) unless otherwise stated in the text of

  15. Structural damage identification in wind turbine blades using piezoelectric active sensing with ultrasonic validation

    Energy Technology Data Exchange (ETDEWEB)

    Claytor, Thomas N [Los Alamos National Laboratory; Ammerman, Curtt N [Los Alamos National Laboratory; Park, Gyu Hae [Los Alamos National Laboratory; Farinholt, Kevin M [Los Alamos National Laboratory; Farrar, Charles R [Los Alamos National Laboratory; Atterbury, Marie K [Los Alamos National Laboratory

    2010-01-01

    This paper gives a brief overview of a new project at LANL in structural damage identification for wind turbines. This project makes use of modeling capabilities and sensing technology to understand realistic blade loading on large turbine blades, with the goal of developing the technology needed to automatically detect early damage. Several structural health monitoring (SHM) techniques using piezoelectric active materials are being investigated for the development of wireless, low power sensors that interrogate sections of the wind turbine blade using Lamb wave propagation data, frequency response functions (FRFs), and time-series analysis methods. The modeling and sensor research will be compared with extensive experimental testing, including wind tunnel experiments, load and fatigue tests, and ultrasonic scans - on small- to mid-scale turbine blades. Furthermore, this study will investigate the effect of local damage on the global response of the blade by monitoring low-frequency response changes.

  16. Validation of spectral methods for the seismic analysis of multi-supported structures

    International Nuclear Information System (INIS)

    Viola, B.

    1999-01-01

    There are many methodologies for the seismic analysis of buildings. When a seism occurs, structures such piping systems in nuclear power plants are subjected to motions that may be different at each support point. Therefore it is necessary to develop methods that take into account the multi-supported effect. In a first time, a bibliography analysis on the different methods that exist has been carried out. The aim was to find a particular method applicable to the study of piping systems. The second step of this work consisted in developing a program that may be used to test and make comparisons on different selected methods. So spectral methods have the advantage to give an estimation of the maximum values for strain in the structure, in reduced calculation time. The time history analysis is used as the reference for the tests. (author)

  17. Experiments to Populate and Validate a Processing Model for Polyurethane Foam: Additional Data for Structural Foams

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Rekha R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Celina, Mathias C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Giron, Nicholas Henry [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Long, Kevin Nicholas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Russick, Edward M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-01-01

    We are developing computational models to help understand manufacturing processes, final properties and aging of structural foam, polyurethane PMDI. Th e resulting model predictions of density and cure gradients from the manufacturing process will be used as input to foam heat transfer and mechanical models. BKC 44306 PMDI-10 and BKC 44307 PMDI-18 are the most prevalent foams used in structural parts. Experiments needed to parameterize models of the reaction kinetics and the equations of motion during the foam blowing stages were described for BKC 44306 PMDI-10 in the first of this report series (Mondy et al. 2014). BKC 44307 PMDI-18 is a new foam that will be used to make relatively dense structural supports via over packing. It uses a different catalyst than those in the BKC 44306 family of foams; hence, we expect that the reaction kineti cs models must be modified. Here we detail the experiments needed to characteriz e the reaction kinetics of BKC 44307 PMDI-18 and suggest parameters for the model based on these experiments. In additi on, the second part of this report describes data taken to provide input to the preliminary nonlinear visco elastic structural response model developed for BKC 44306 PMDI-10 foam. We show that the standard cu re schedule used by KCP does not fully cure the material, and, upon temperature elevation above 150°C, oxidation or decomposition reactions occur that alter the composition of the foam. These findings suggest that achieving a fully cured foam part with this formulation may be not be possible through therma l curing. As such, visco elastic characterization procedures developed for curing thermosets can provide only approximate material properties, since the state of the material continuously evolves during tests.

  18. Factor Structure and Validation of the Dimensional Assessment of Personality Questionnaire (DAPQ

    Directory of Open Access Journals (Sweden)

    Dino Krupić

    2015-12-01

    Full Text Available The last decade was extremely dynamic in the field of personality disorder. The extensive research has resulted with significant changes in conceptualization and assessment of personality psychopathology. DSM 5 has introduced a hybrid diagnostic model of personality disorders, which leads toward implementing dimensional instead of categorical approach to personality disorders. There are many questionnaires aimed to measure dimensions of personality psychopathology. However, they contain a large number of items, which may present a methodological problem in conducting research on large samples. Hence, the aim of this study is to present development of a short questionnaire aimed to measure main dimensions of personality psychopathology. The questionnaire, named Dimensional Assessment of Personality Traits Questionnaire (DAPTQ, contains 62 items distributed into 5 main scales; Negative Emotionality, Detachment, Compulsivity, Psychoticism and Antagonism, and two additional scales Grandiosity and Attention Seeking. Study was conducted on the sample of 456 high school students from Osijek and Koprivnica. The DAPTQ, YPI, LEXI - 70 and Ryff Scales of Psychological Well-Being were administered. Results indicate good psychometric properties, namely content, construct and convergent validity and reliability, of all scales of the DAPTQ. This paper discusses some measurement issues concerning personality psychopathology in adolescents' population and the ways in which they could be overcome.

  19. Factorial structure and convergent and discriminant validity of the E (Empathy) scale.

    Science.gov (United States)

    Tran, Ulrich S; Laireiter, Anton-Rupert; Schmitt, David P; Neuner, Christine; Leibetseder, Max; Szente-Voracek, Sara Leyla; Voracek, Martin

    2013-10-01

    The Empathy (E) scale has been proposed as a theoretically and psychometrically more satisfying alternative to existing self-report measures of empathy. Its four scales (facets) cover both components (cognitive vs. emotional) and both reality statuses (fictitious vs. real-life) of empathy in pairwise combinations. Confirmatory factor analyses of the E-scale in an Austrian community sample (N = 794) suggested that one prior assumption, namely the mutual orthogonality of these facets, may partly need revision; particularly, the E-scale facets seemed to reflect more strongly differences in the reality statuses than in the components of empathy. Utilizing numerous informative psychological traits, the scale's convergent and discriminant validity were examined. E-scale scores were consistently predicted by sex-related and relationship-related constructs and measures of antisocial attitudes and behavior. Among the Big Five personality dimensions, openness emerged as a major positive correlate of empathy. Sex and age were demographic correlates of E-scale scores (higher in women and the younger). Findings were discussed with regards to the definition and measurement of empathy.

  20. Structure-borne noise of railway composite bridge: Numerical simulation and experimental validation

    Science.gov (United States)

    Li, Xiaozhen; Liu, Quanmin; Pei, Shiling; Song, Lizhong; Zhang, Xun

    2015-09-01

    In order to investigate the characteristics of the noise from steel-concrete composite bridges under high-speed train loading, a model used to predict the bridge-borne noise is established and validated through a field experiment. The numerical model for noise prediction is developed based on the combination of spatial train-track-bridge coupled vibration theory and Statistical Energy Analysis (SEA). Firstly, train-track-bridge coupled vibration is adopted to obtain the velocity time history of the bridge deck vibration. Then, the velocity time history is transferred into frequency domain through FFT to serve as the vibratory energy of SEA deck subsystems. Finally, the transmission of the vibratory energy is obtained by solving the energy balance equations of SEA, and the sound radiation is computed using the vibro-acoustic theory. The numerically computed noise level is verified by a field measurement. It is determined that the dominant frequency of steel-concrete composite bridge-borne noise is 20-1000 Hz. The noise from the bottom flange of steel longitudinal girder is less than other components in the whole frequency bands, while the noise from web of steel longitudinal girder is dominant in high frequency range above 315 Hz. The noise from concrete deck dominates in low-frequency domain ranges from 80 Hz to 160 Hz.

  1. Validation of network communicability metrics for the analysis of brain structural networks.

    Directory of Open Access Journals (Sweden)

    Jennifer Andreotti

    Full Text Available Computational network analysis provides new methods to analyze the brain's structural organization based on diffusion imaging tractography data. Networks are characterized by global and local metrics that have recently given promising insights into diagnosis and the further understanding of psychiatric and neurologic disorders. Most of these metrics are based on the idea that information in a network flows along the shortest paths. In contrast to this notion, communicability is a broader measure of connectivity which assumes that information could flow along all possible paths between two nodes. In our work, the features of network metrics related to communicability were explored for the first time in the healthy structural brain network. In addition, the sensitivity of such metrics was analysed using simulated lesions to specific nodes and network connections. Results showed advantages of communicability over conventional metrics in detecting densely connected nodes as well as subsets of nodes vulnerable to lesions. In addition, communicability centrality was shown to be widely affected by the lesions and the changes were negatively correlated with the distance from lesion site. In summary, our analysis suggests that communicability metrics that may provide an insight into the integrative properties of the structural brain network and that these metrics may be useful for the analysis of brain networks in the presence of lesions. Nevertheless, the interpretation of communicability is not straightforward; hence these metrics should be used as a supplement to the more standard connectivity network metrics.

  2. General method to unravel ancient population structures through surnames, final validation on Italian data.

    Science.gov (United States)

    Boattini, Alessio; Lisa, Antonella; Fiorani, Ornella; Zei, Gianna; Pettener, Davide; Manni, Franz

    2012-06-01

    We analyze the geographic location of 77,451 different Italian surnames (17,579,891 individuals) obtained from the lists of telephone subscribers of the year 1993. By using a specific neural network analysis (Self-Organizing Maps, SOMs), we automatically identify the geographic origin of 49,117 different surnames. To validate the methodology, we compare the results to a study, previously conducted, on the same database, with accurate supervised methods. By comparing the results, we find an overlap of 97%, meaning that the SOMs methodology is highly reliable and well traces back the geographic origin of surnames at the time of their introduction (Late Middle Ages/Renaissance in Italy). SOMs results enables one to distinguish monophyletic surnames from polyphyletic ones, that is surnames having had a single geographic and historic origin from those that started to be in use, with an identical spelling, in different locations (respectively, 76.06% and 21.05% of the total). As we are interested in geographic origins, polyphyletic surnames are excluded from further analyses. By comparing the present location of each monophyletic surname to its inferred geographic origin in late Middle Ages/Renaissance, we measure the extent of the migrations having occurred in Italy since that time. We find that the percentage of individuals presently living in the very area where their surname started to be in use centuries ago is extremely variable (ranging from 22.77% to 77.86% according to the province), thus meaning that self-assessed regional identities seldom correspond to the "autochthony" they imply. For example the upper part of the Thyrennian coast (Northern Latium, Tuscany) has a strong identity but few "autochthonous" inhabitants (∼28%) having been a passageway from the North to the South of Italy.

  3. Validation of the dynamic structural integrity of a nuclear piping component using static inelastic modelling technique

    International Nuclear Information System (INIS)

    Leonard, J.W.

    1975-01-01

    This work is concerned with the evaluation of a quasi-static method as applied to a swing check valve designed to provide emergency shut-off capability subsequent to a postulated break in a steam line. The impact analysis of swinging disk upon the valve seat is an asymmetric problem in dynamic elastoplasticity with potentially large displacements and strains resulting from the impact. To perform a quasi-static analysis for this component the disk and seat region of the valve was isolated from the piping system by special boundary elements and an elastic-plastic finite element model was generated assuming axisymmetric solid ring elements. An equivalent static axisymmetric incremental load system was used to approximate the nonsymmetric initial velocity of impact. Subsequent to the nonlinear incremental finite element analysis by a standard computer software package (MARC-CDC program), a special post-processing program was employed to calculate the incremental sum of external work due to the defined load system. Equating this external work to the initial kinetic energy of impact, parametric curves for displacements, stresses, and strains were obtained as functions of various levels of kinetic energy imparted to the valve at closure. To verify the conservative nature of the assumptions made in the quasi-static model, a comparison was made with a time-dependent, nonlinear, axisymmetric, elastic-plastic finite difference simulation. Another standard computer software package (PISCES-2DL) was used for this dynamic simulation. For a check-point value of initial impact kinetic energy, correlation between the quasi-static finite element and dynamic finite difference analyses is presented. Validations of the assumptions made in the quasi-static analysis and of the results obtained are discussed in detail

  4. Social relationship difficulties in autism and reactive attachment disorder: Improving diagnostic validity through structured assessment.

    Science.gov (United States)

    Davidson, Claire; O'Hare, Anne; Mactaggart, Fiona; Green, Jonathan; Young, David; Gillberg, Christopher; Minnis, Helen

    2015-05-01

    Autism Spectrum Disorder (ASD) versus Reactive Attachment Disorder (RAD) is a common diagnostic challenge for clinicians due to overlapping difficulties with social relationships. RAD is associated with neglect or maltreatment whereas ASD is not: accurate differential diagnosis is therefore critical. Very little research has investigated the relationship between the two, and it is unknown if standardised measures are able to discriminate between ASD and RAD. The current study aimed to address these issues. Fifty eight children with ASD, and no history of maltreatment, were group matched on age with 67 children with RAD. Group profiles on multi-informant measures of RAD were investigated and group differences explored. Discriminant function analysis determined assessment features that best discriminated between the two groups. Although, according to parent report, children with ASD presented with significantly fewer indiscriminate friendliness behaviours compared to the RAD group (p<0.001), 36 children with ASD appeared to meet core RAD criteria. However, structured observation clearly demonstrated that features were indicative of ASD and not RAD for all but 1 of these 36 children. Children with RAD and children with ASD may demonstrate similar social relationship difficulties but there appears to be a difference in the social quality of the interactions between the groups. In most cases it was possible to differentiate between children with ASD and children with RAD via structured observation. Nevertheless, for a small proportion of children with ASD, particularly those whose difficulties may be more subtle, our current standardised measures, including structured observation, may not be effective in differentiating RAD from ASD. Copyright © 2015. Published by Elsevier Ltd.

  5. Structural Validation of a French Food Frequency Questionnaire of 94 Items

    Directory of Open Access Journals (Sweden)

    Rozenn Gazan

    2017-12-01

    Full Text Available BackgroundFood frequency questionnaires (FFQs are used to estimate the usual food and nutrient intakes over a period of time. Such estimates can suffer from measurement errors, either due to bias induced by respondent’s answers or to errors induced by the structure of the questionnaire (e.g., using a limited number of food items and an aggregated food database with average portion sizes. The “structural validation” presented in this study aims to isolate and quantify the impact of the inherent structure of a FFQ on the estimation of food and nutrient intakes, independently of respondent’s perception of the questionnaire.MethodsA semi-quantitative FFQ (n = 94 items, including 50 items with questions on portion sizes and an associated aggregated food composition database (named the item-composition database were developed, based on the self-reported weekly dietary records of 1918 adults (18–79 years-old in the French Individual and National Dietary Survey 2 (INCA2, and the French CIQUAL 2013 food-composition database of all the foods (n = 1342 foods declared as consumed in the population. Reference intakes of foods (“REF_FOOD” and nutrients (“REF_NUT” were calculated for each adult using the food-composition database and the amounts of foods self-reported in his/her dietary record. Then, answers to the FFQ were simulated for each adult based on his/her self-reported dietary record. “FFQ_FOOD” and “FFQ_NUT” intakes were estimated using the simulated answers and the item-composition database. Measurement errors (in %, spearman correlations and cross-classification were used to compare “REF_FOOD” with “FFQ_FOOD” and “REF_NUT” with “FFQ_NUT”.ResultsCompared to “REF_NUT,” “FFQ_NUT” total quantity and total energy intake were underestimated on average by 198 g/day and 666 kJ/day, respectively. “FFQ_FOOD” intakes were well estimated for starches, underestimated for most of the subgroups, and

  6. Defining distinct negative beliefs about uncertainty: validating the factor structure of the Intolerance of Uncertainty Scale.

    Science.gov (United States)

    Sexton, Kathryn A; Dugas, Michel J

    2009-06-01

    This study examined the factor structure of the English version of the Intolerance of Uncertainty Scale (IUS; French version: M. H. Freeston, J. Rhéaume, H. Letarte, M. J. Dugas, & R. Ladouceur, 1994; English version: K. Buhr & M. J. Dugas, 2002) using a substantially larger sample than has been used in previous studies. Nonclinical undergraduate students and adults from the community (M age = 23.74 years, SD = 6.36; 73.0% female and 27.0% male) who participated in 16 studies in the Anxiety Disorders Laboratory at Concordia University in Montreal, Canada were randomly assigned to 2 datasets. Exploratory factor analysis with the 1st sample (n = 1,230) identified 2 factors: the beliefs that "uncertainty has negative behavioral and self-referent implications" and that "uncertainty is unfair and spoils everything." This 2-factor structure provided a good fit to the data (Bentler-Bonett normed fit index = .96, comparative fit index = .97, standardized root-mean residual = .05, root-mean-square error of approximation = .07) upon confirmatory factor analysis with the 2nd sample (n = 1,221). Both factors showed similarly high correlations with pathological worry, and Factor 1 showed stronger correlations with generalized anxiety disorder analogue status, trait anxiety, somatic anxiety, and depressive symptomatology. (PsycINFO Database Record (c) 2009 APA, all rights reserved).

  7. Analysis of foot structural damage in rheumatoid arthritis: clinical evaluation by validated measures and serological correlations

    Directory of Open Access Journals (Sweden)

    E. Bartoloni Bocci

    2011-06-01

    Full Text Available Objective: To examine foot involvement in rheumatoid arthritis (RA and to characterize structural alterations in patients with anti-cyclic citrullinated peptide (CCP antibody-positive and -negative disease. Methods: Seventy-eight patients with RA with foot pain were consecutively enrolled. The Manchester Hallux Valgus (MHV rating scale was used to evaluate the hallux valgus deformity degree. The Foot Posture Index (FPI6, a novel, foot-specific outcome measure, was adopted in order to quantify variation in the position of the foot. The findings were correlated with disease duration and presence or absence of anti-CCP antibodies. Results: About 84.6% patients had different degrees of hallux valgus and 65.4% subjects had a pronated foot. These two foot alterations were prevalently found in patients with long-standing disease and circulating anti-CCP antibodies. On the contrary, RA patients without anti-CCP and early disease essentially displayed a supinated foot without relevant hallux valgus deformity. Conclusion: Our findings allowed to identify different anatomic foot alterations in RA patients according to disease duration and negative prognostic factors such as anti-CCP antibodies. Our findings support the role of an accurate analysis of foot structural damage and may suggest the usefulness of a correct plantar orthosis prescription also in early phases of the disease.

  8. The validity and structure of culture-level personality scores: data from ratings of young adolescents.

    Science.gov (United States)

    McCrae, Robert R; Terracciano, Antonio; De Fruyt, Filip; De Bolle, Marleen; Gelfand, Michele J; Costa, Paul T

    2010-06-01

    We examined properties of culture-level personality traits in ratings of targets (N=5,109) ages 12 to 17 in 24 cultures. Aggregate scores were generalizable across gender, age, and relationship groups and showed convergence with culture-level scores from previous studies of self-reports and observer ratings of adults, but they were unrelated to national character stereotypes. Trait profiles also showed cross-study agreement within most cultures, 8 of which had not previously been studied. Multidimensional scaling showed that Western and non-Western cultures clustered along a dimension related to Extraversion. A culture-level factor analysis replicated earlier findings of a broad Extraversion factor but generally resembled the factor structure found in individuals. Continued analysis of aggregate personality scores is warranted.

  9. Validation of Quantitative Structure-Activity Relationship (QSAR Model for Photosensitizer Activity Prediction

    Directory of Open Access Journals (Sweden)

    Sharifuddin M. Zain

    2011-11-01

    Full Text Available Photodynamic therapy is a relatively new treatment method for cancer which utilizes a combination of oxygen, a photosensitizer and light to generate reactive singlet oxygen that eradicates tumors via direct cell-killing, vasculature damage and engagement of the immune system. Most of photosensitizers that are in clinical and pre-clinical assessments, or those that are already approved for clinical use, are mainly based on cyclic tetrapyrroles. In an attempt to discover new effective photosensitizers, we report the use of the quantitative structure-activity relationship (QSAR method to develop a model that could correlate the structural features of cyclic tetrapyrrole-based compounds with their photodynamic therapy (PDT activity. In this study, a set of 36 porphyrin derivatives was used in the model development where 24 of these compounds were in the training set and the remaining 12 compounds were in the test set. The development of the QSAR model involved the use of the multiple linear regression analysis (MLRA method. Based on the method, r2 value, r2 (CV value and r2 prediction value of 0.87, 0.71 and 0.70 were obtained. The QSAR model was also employed to predict the experimental compounds in an external test set. This external test set comprises 20 porphyrin-based compounds with experimental IC50 values ranging from 0.39 µM to 7.04 µM. Thus the model showed good correlative and predictive ability, with a predictive correlation coefficient (r2 prediction for external test set of 0.52. The developed QSAR model was used to discover some compounds as new lead photosensitizers from this external test set.

  10. The Feeding Practices and Structure Questionnaire (FPSQ-28): A parsimonious version validated for longitudinal use from 2 to 5 years.

    Science.gov (United States)

    Jansen, Elena; Williams, Kate E; Mallan, Kimberley M; Nicholson, Jan M; Daniels, Lynne A

    2016-05-01

    Prospective studies and intervention evaluations that examine change over time assume that measurement tools measure the same construct at each occasion. In the area of parent-child feeding practices, longitudinal measurement properties of the questionnaires used are rarely verified. To ascertain that measured change in feeding practices reflects true change rather than change in the assessment, structure, or conceptualisation of the constructs over time, this study examined longitudinal measurement invariance of the Feeding Practices and Structure Questionnaire (FPSQ) subscales (9 constructs; 40 items) across 3 time points. Mothers participating in the NOURISH trial reported their feeding practices when children were aged 2, 3.7, and 5 years (N = 404). Confirmatory Factor Analysis (CFA) within a structural equation modelling framework was used. Comparisons of initial cross-sectional models followed by longitudinal modelling of subscales, resulted in the removal of 12 items, including two redundant or poorly performing subscales. The resulting 28-item FPSQ-28 comprised 7 multi-item subscales: Reward for Behaviour, Reward for Eating, Persuasive Feeding, Overt Restriction, Covert Restriction, Structured Meal Setting and Structured Meal Timing. All subscales showed good fit over 3 time points and each displayed at least partial scalar (thresholds equal) longitudinal measurement invariance. We recommend the use of a separate single item indicator to assess the family meal setting. This is the first study to examine longitudinal measurement invariance in a feeding practices questionnaire. Invariance was established, indicating that the subscales of the shortened FPSQ-28 can be used with mothers to validly assess change in 7 feeding constructs in samples of children aged 2-5 years of age. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Structural validity of the Maslach Burnout Inventory and influence of depressive symptoms in banking workplace: Unfastening the occupational conundrum.

    Science.gov (United States)

    Valente, Maria do Socorro da Silva; Wang, Yuan-Pang; Menezes, Paulo Rossi

    2018-06-04

    Burnout and mental disorders have been reported in the financial industry. This study aims to examine the structural validity of the Maslach Burnout Inventory (MBI) and to investigate the connection between the dimensions of burnout and depressive symptoms in a sample of 1046 bank employees from North Brazil who completed the MBI and the Patient Health Questionnaire-9 (PHQ-9. Exploratory factor analysis (EFA) and confirmatory factor analysis (CFA) were used to cross-check the factorial structure of the MBI. One-way analysis of variance and correlation analysis were applied to elucidate the relationship between burnout and depressive symptoms. Both 3-factor and 4-factor oblique solutions were plausible EFA models of the burnout syndrome. Results of CFA supported the 19-item 4-factor structure as the best fitting model to data, with two exhaustion factors ("exhausted" and "strained"), depersonalization, and personal accomplishment. The PHQ-9 total score and individual score of depressive items were significantly correlated with all MBI dimensions, notably with the emotional exhaustion dimension. The moderate-to-high correlation observed between burnout and depression suggest the potential utility of the MBI for evaluating burnout among bank employees as well as to point out the need to evaluate systematically the burnout and depressive symptoms given to their potential association. Copyright © 2018. Published by Elsevier B.V.

  12. An SEM Assessment of the Internal Structure and Predictive Validity of the Abbreviated Early Adolescent HOME Inventory.

    Science.gov (United States)

    Green, Samuel B; Pennar, Amy L; Bradley, Robert H

    2018-05-01

    The Home Observation for Measurement of the Environment (HOME) Inventory is designed to assess the quality and quantity of support, stimulation, and structure provided to children in the home environment. HOME has been widely used for research and applied purposes. We focused on an abbreviated version of the Early Adolescent HOME (EA-HOME-A) that was administered to 15-year-old adolescents and their parents ( N = 958) as part of the NICHD (National Institute of Child Health and Human Development) Study of Early Child Care and Youth Development. Our study had two objectives. First, we hypothesized and tested a bifactor model that specified a general factor in support of the use of the HOME total score and group factors for subsets of items in support of the content domain scores. Second, we applied structural equation modeling to relate the EA-HOME-A factors to outcome factors assessing maladaptive behaviors, autonomy, self-control, and cognitive-academic performance. The results supported the construct validity of the EA-HOME-A with respect to its internal structure as well as its correlates.

  13. Design and laboratory validation of a structural element instrumented with multiplexed interferometric fiber optic sensors

    Science.gov (United States)

    Zonta, Daniele; Pozzi, Matteo; Wu, Huayong; Inaudi, Daniele

    2008-03-01

    This paper introduces a concept of smart structural elements for the real-time condition monitoring of bridges. These are prefabricated reinforced concrete elements embedding a permanent sensing system and capable of self-diagnosis when in operation. The real-time assessment is automatically controlled by a numerical algorithm founded on Bayesian logic: the method assigns a probability to each possible damage scenario, and estimates the statistical distribution of the damage parameters involved (such as location and extent). To verify the effectiveness of the technology, we produced and tested in the laboratory a reduced-scale smart beam prototype. The specimen is 3.8 m long and has cross-section 0.3 by 0.5m, and has been prestressed using a Dywidag bar, in such a way as to control the preload level. The sensor system includes a multiplexed version of SOFO interferometric sensors mounted on a composite bar, along with a number of traditional metal-foil strain gauges. The method allowed clear recognition of increasing fault states, simulated on the beam by gradually reducing the prestress level.

  14. Validation of a structured questionnaire for COPD and prevalence of COPD in rural area of Mysore: A pilot study

    Directory of Open Access Journals (Sweden)

    Mahesh P

    2009-01-01

    Full Text Available Background: The prevalence of chronic obstructive pulmonary disease (COPD is increasing in India and there is a need to study the prevalence of COPD, particularly in the rural areas, which may be most affected due to their lifestyle. Materials and Methods: First stage: Validation of the questionnaire-105 consecutive patients underwent administration of the structured questionnaire and spirometry was used as a gold standard for the diagnosis of COPD. Second stage: Adults above 40 years (n = 900 in two villages of Mysore district were administered with the validated questionnaire, Knowledge and Attitude questionnaire and Fagerstorm questionnaire, to assess nicotine dependency. Results: The questionnaire was found to have a sensitivity of 62.5% and specificity of 87.6% to diagnose COPD. Of the total 900 adults surveyed (Males: 453, Females: 447, the total prevalence of COPD was 7.1%. Males had a higher prevalence (11.1% compared to females (4.5%. The prevalence of smoking was very high among men at 71.9% and all the women were nonsmokers. The prevalence of COPD was 14.7% in smokers, 19.3% had mild to moderate nicotine dependency and 12.8% were highly dependent. Of the women exposed to regular biomass fuels, the prevalence of COPD was 3.9%, which increased to 4.8% on addition of regular passive smoking. In smoking, male gender and age were significantly associated with COPD ( P < 0.05. Conclusion: The structured questionnaire is a useful tool for the screening of COPD in field studies. Smoking and biomass fuel exposure are important risk factors for COPD.

  15. Validation of a structured questionnaire for COPD and prevalence of COPD in rural area of Mysore: A pilot study.

    Science.gov (United States)

    Mahesh, P A; Jayaraj, B S; Prahlad, S T; Chaya, S K; Prabhakar, A K; Agarwal, A N; Jindal, S K

    2009-07-01

    The prevalence of chronic obstructive pulmonary disease (COPD) is increasing in India and there is a need to study the prevalence of COPD, particularly in the rural areas, which may be most affected due to their lifestyle. FIRST STAGE: Validation of the questionnaire-105 consecutive patients underwent administration of the structured questionnaire and spirometry was used as a gold standard for the diagnosis of COPD. Second stage: Adults above 40 years (n = 900) in two villages of Mysore district were administered with the validated questionnaire, Knowledge and Attitude questionnaire and Fagerstorm questionnaire, to assess nicotine dependency. The questionnaire was found to have a sensitivity of 62.5% and specificity of 87.6% to diagnose COPD. Of the total 900 adults surveyed (Males: 453, Females: 447), the total prevalence of COPD was 7.1%. Males had a higher prevalence (11.1%) compared to females (4.5%). The prevalence of smoking was very high among men at 71.9% and all the women were nonsmokers. The prevalence of COPD was 14.7% in smokers, 19.3% had mild to moderate nicotine dependency and 12.8% were highly dependent. Of the women exposed to regular biomass fuels, the prevalence of COPD was 3.9%, which increased to 4.8% on addition of regular passive smoking. In smoking, male gender and age were significantly associated with COPD (P < 0.05). The structured questionnaire is a useful tool for the screening of COPD in field studies. Smoking and biomass fuel exposure are important risk factors for COPD.

  16. Validation of Material Models For Automotive Carbon Fiber Composite Structures Via Physical And Crash Testing (VMM Composites Project)

    Energy Technology Data Exchange (ETDEWEB)

    Coppola, Anthony [General Motors Company, Flint, MI (United States); Faruque, Omar [Ford Motor Company, Dearborn, MI (United States); Truskin, James F [FCA US LLC, Auburn Hills, MI (United States); Board, Derek [Ford Motor Company, Dearborn, MI (United States); Jones, Martin [Ford Motor Company, Dearborn, MI (United States); Tao, Jian [FCA US LLC, Auburn Hills, MI (United States); Chen, Yijung [Ford Motor Company, Dearborn, MI (United States); Mehta, Manish [M-Tech International LLC, Dubai (United Arab Emirates)

    2017-09-27

    As automotive fuel economy requirements increase, the push for reducing overall vehicle weight will likely include the consideration of materials that have not previously been part of mainstream vehicle design and manufacturing, including carbon fiber composites. Vehicle manufacturers currently rely on computer-aided engineering (CAE) methods as part of the design and development process, so going forward, the ability to accurately and predictably model carbon fiber composites will be necessary. If composites are to be used for structural components, this need applies to both, crash and quasi-static modeling. This final report covers the results of a five-year, $6.89M, 50% cost-shared research project between Department of Energy (DOE) and the US Advanced Materials Partnership (USAMP) under Cooperative Agreement DE-EE-0005661 known as “Validation of Material Models for Automotive Carbon Fiber Composite Structures Via Physical and Crash Testing (VMM).” The objective of the VMM Composites Project was to validate and assess the ability of physics-based material models to predict crash performance of automotive primary load-carrying carbon fiber composite structures. Simulation material models that were evaluated included micro-mechanics based meso-scale models developed by the University of Michigan (UM) and micro-plane models by Northwestern University (NWU) under previous collaborations with the DOE and Automotive Composites Consortium/USAMP, as well as five commercial crash codes: LS-DYNA, RADIOSS, VPS/PAM-CRASH, Abaqus, and GENOA-MCQ. CAE predictions obtained from seven organizations were compared with experimental results from quasi-static testing and dynamic crash testing of a thermoset carbon fiber composite front-bumper and crush-can (FBCC) system gathered under multiple loading conditions. This FBCC design was developed to demonstrate progressive crush, virtual simulation, tooling, fabrication, assembly, non-destructive evaluation and crash testing

  17. Validation of seismic soil-structure interaction analysis methods: EPRI [Electric Power Research Institute]/NRC [Nuclear Regulatory Commission] cooperation in Lotung, Taiwan, experiments

    International Nuclear Information System (INIS)

    Kot, C.A.; Srinivasan, M.G.; Hsieh, B.J.; Tang, Y.K.; Kassawara, R.P.

    1986-01-01

    The cooperative program between NRC/ANL and EPRI on the validation of soil-structure interaction analysis methods with actual seismic response data is described. A large scale-model of a containment building has been built by EPRI/Taipower in a highly seismic region of Taiwan. Vibration tests were performed, first on the basemat before the superstructure was built and then on the completed structure. Since its completion, the structure has experienced many earthquakes. The site and structural response to these earthquakes have been recorded with field (surface and downhole) and structural instrumentation. The validation program involves blind predictions of site and structural response during vibration tests and a selected seismic event, and subsequent comparison between the predictions and measurements. The predictive calculations are in progress. The results of the correlation are expected to lead to the evaluation of the methods as to their conservatisms and sensitivities

  18. The Nature of Coping in Treatment for Marijuana Dependence: Latent Structure and Validation of the Coping Strategies Scale

    Science.gov (United States)

    Litt, Mark D.; Kadden, Ronald M; Tennen, Howard

    2012-01-01

    The Coping Strategies Scale (CSS) was designed to assess adaptive changes in substance-use specific coping that result from treatment. The present study sought to examine the latent structure of the CSS in the hope that it might shed light on the coping processes of drug users, and guide the development of a brief version of the CSS. Respondents on the CSS were 751 men and women treated in three clinical trials for marijuana dependence. Posttreatment CSS data were analyzed to determine the nature of coping responses in patients who have been trained to use specific strategies to deal with substance use disorders. Exploratory factor analysis yielded two factors, categorized as problem-focused and emotion-focused coping, but confirmatory factor analysis did not support this structure. When infrequently endorsed items were removed, however, confirmatory factor analysis revealed a good fit to the data. Contrary to expectations, practical strategies that often form the basis for coping skills training, such as avoiding those who smoke, were not frequently endorsed. Problem focused items reflected cognitive commitments to change. Emotion-focused items included cognitive reinterpretations of emotions, to help manage emotional reactions. Brief versions of the CSS based on these factors showed good convergent and discriminant validity. The CSS, and the brief versions of the CSS, may prove useful in future treatment trials to evaluate effects of treatment on coping skills acquisition and utilization in substance dependent individuals. PMID:22082345

  19. Numerical and Experimental Validation of the Optimization Methodologies for a Wing-Tip Structure Equipped with Conventional and Morphing Ailerons =

    Science.gov (United States)

    Koreanschi, Andreea

    In order to answer the problem of 'how to reduce the aerospace industry's environment footprint?' new morphing technologies were developed. These technologies were aimed at reducing the aircraft's fuel consumption through reduction of the wing drag. The morphing concept used in the present research consists of replacing the conventional aluminium upper surface of the wing with a flexible composite skin for morphing abilities. For the ATR-42 'Morphing wing' project, the wing models were manufactured entirely from composite materials and the morphing region was optimized for flexibility. In this project two rigid wing models and an active morphing wing model were designed, manufactured and wind tunnel tested. For the CRIAQ MDO 505 project, a full scale wing-tip equipped with two types of ailerons, conventional and morphing, was designed, optimized, manufactured, bench and wind tunnel tested. The morphing concept was applied on a real wing internal structure and incorporated aerodynamic, structural and control constraints specific to a multidisciplinary approach. Numerical optimization, aerodynamic analysis and experimental validation were performed for both the CRIAQ MDO 505 full scale wing-tip demonstrator and the ATR-42 reduced scale wing models. In order to improve the aerodynamic performances of the ATR-42 and CRIAQ MDO 505 wing airfoils, three global optimization algorithms were developed, tested and compared. The three algorithms were: the genetic algorithm, the artificial bee colony and the gradient descent. The algorithms were coupled with the two-dimensional aerodynamic solver XFoil. XFoil is known for its rapid convergence, robustness and use of the semi-empirical e n method for determining the position of the flow transition from laminar to turbulent. Based on the performance comparison between the algorithms, the genetic algorithm was chosen for the optimization of the ATR-42 and CRIAQ MDO 505 wing airfoils. The optimization algorithm was improved during

  20. Control Structure Impact on the Flying Performance of the Multi-Rotor VTOL Platform - Design, Analysis and Experimental Validation

    Directory of Open Access Journals (Sweden)

    Roman Czyba

    2013-01-01

    Full Text Available The aim of this research is to examine the different control strategies for the unmanned aerial vehicles (UAV. The control task is formulated as an angular stabilization of the four rotor platform, and also as a tracking problem of chosen state variables. The PID algorithm has been considered in three structures in respect of the optimal control signal applied to the actuators. For better performance of the quadrotor in hover mode the cascade control system has been proposed. The simulation results of attitude control with different PID controller architectures are presented, and confirm the effectiveness of the proposed control structure and theoretical expectations. Moreover, the design and the practical realization of the control architecture on the experimental aerial vehicle are described. The fast prototyping method together with Matlab/Simulink software and DAQ hardware are used for both evolution and validation of control algorithms. The capacity of the attitude stabilization system is important in the development process of more advanced functionality of autonomous flying vehicles; therefore it needs to be highlighted and taken into careful consideration.

  1. Validity of active fault identification through magnetic anomalous using earthquake mechanism, microgravity and topography structure analysis in Cisolok area

    Science.gov (United States)

    Setyonegoro, Wiko; Kurniawan, Telly; Ahadi, Suaidi; Rohadi, Supriyanto; Hardy, Thomas; Prayogo, Angga S.

    2017-07-01

    Research was conducted to determine the value of the magnetic anomalies to identify anomalous value standard fault, down or up with the type of Meratus trending northeast-southwest Cisolok, Sukabumi. Data collection was performed by setting the measurement grid at intervals of 5 meters distance measurement using a Precision Proton Magnetometer (PPM) -GSM-19T. To identification the active fault using magnetic is needed another parameter. The purpose of this study is to identification active fault using magnetic Anomaly in related with subsurface structure through the validation analysis of earthquake mechanism, microgravity and with Topography Structure in Java Island. Qualitative interpretation is done by analyzing the residual anomaly that has been reduced to the pole while the quantitative interpretation is done by analyzing the pattern of residual anomalies through computation. The results of quantitative interpretation, an anomalous value reduction to the pole magnetic field is at -700 nT to 700 nT while the results of the qualitative interpretation of the modeling of the path AA', BB' and CC' shows the magnetic anomaly at coordinates liquefaction resources with a value of 1028.04, 1416.21, - 1565, -1686.91. The measurement results obtained in Cisolok magnetic anomalies that indicate a high content of alumina (Al) and iron (Fe) which be identified appears through the fault gap towards the northeast through Rajamandala Lembang Fault related to the mechanism in the form of a normal fault with slip rate of 2 mm / year.

  2. SU-E-J-52: Validation of 3D Structure Projection Onto 2D DRR in Commercial Treatment Planning Systems.

    Science.gov (United States)

    Zhang, L; Court, L; Balter, P; Dong, L

    2012-06-01

    The use of structure overlay on setup DRRs can aid the image alignment procedure for daily image-guided setup procedures. However, the accuracy of a 3D region-of-interest (ROI) projected on a 2D digitally reconstructed radiograph (DRR) has rarely been evaluated quantitatively. The goal of this study is to test the accuracy of two commercial treatment planning systems (TPS) in producing overlay structures on setup DRRs. We designed a novel method to identify landmarks which were on the boundary of the projected ROI on a DRR. The 3D ROIvolume is composed of a stack of 2D curves. We first mathematically project each 2D curve onto a beams-eye-view (BEV) plane. Next, we detectthe boundary points of the projected curves. Those boundary points serve aslandmarks. Finally, we project the binary mask of the 3D ROI volume using ray tracing method onto the BEV plane. This projected binary mask is used to exclude the false landmarks. Once those landmarks are detected, wecompute the distance between the landmarks and ROI outlines from the TPS. We applied our validation method to 13 ROIs from a lung patient and 4 simulated ROIs on 2 BEV DRRs for two different TPS (Eclipse and Pinnacle). Average distance between the landmarks and ROIoutlines was 0.5mm for both Eclipse and Pinnacle approaches, which is close to the pixel resolution of the DRR. The maximum distance andaverage maximum distance was 2mm and 1 mm, respectively, for both TPS.The maximum distance occurred at points where the ROI curve has a sharpchange between slices. The accuracy of Eclipse and Pinnacle ROI projection method seems to be acceptable to within 1mm althoughprojection error can be as large as 2mm when structure shape has a sharp variation from one slice to the next. © 2012 American Association of Physicists in Medicine.

  3. Validation of a structured training and assessment curriculum for technical skill acquisition in minimally invasive surgery: a randomized controlled trial.

    Science.gov (United States)

    Palter, Vanessa N; Orzech, Neil; Reznick, Richard K; Grantcharov, Teodor P

    2013-02-01

    : To develop and validate an ex vivo comprehensive curriculum for a basic laparoscopic procedure. : Although simulators have been well validated as tools to teach technical skills, their integration into comprehensive curricula is lacking. Moreover, neither the effect of ex vivo training on learning curves in the operating room (OR), nor the effect on nontechnical proficiency has been investigated. : This randomized single-blinded prospective trial allocated 20 surgical trainees to a structured training and assessment curriculum (STAC) group or conventional residency training. The STAC consisted of case-based learning, proficiency-based virtual reality training, laparoscopic box training, and OR participation. After completion of the intervention, all participants performed 5 sequential laparoscopic cholecystectomies in the OR. The primary outcome measure was the difference in technical performance between the 2 groups during the first laparoscopic cholecystectomy. Secondary outcome measures included differences with respect to learning curves in the OR, technical proficiency of each sequential laparoscopic cholecystectomy, and nontechnical skills. : Residents in the STAC group outperformed residents in the conventional group in the first (P = 0.004), second (P = 0.036), third (P = 0.021), and fourth (P = 0.023) laparoscopic cholecystectomies. The conventional group demonstrated a significant learning curve in the OR (P = 0.015) in contrast to the STAC group (P = 0.032). Residents in the STAC group also had significantly higher nontechnical skills (P = 0.027). : Participating in the STAC shifted the learning curve for a basic laparoscopic procedure from the operating room into the simulation laboratory. STAC-trained residents had superior technical proficiency in the OR and nontechnical skills compared with conventionally trained residents. (The study registration ID is NCT01560494.).

  4. A Validation Study of the Rank-Preserving Structural Failure Time Model: Confidence Intervals and Unique, Multiple, and Erroneous Solutions.

    Science.gov (United States)

    Ouwens, Mario; Hauch, Ole; Franzén, Stefan

    2018-05-01

    The rank-preserving structural failure time model (RPSFTM) is used for health technology assessment submissions to adjust for switching patients from reference to investigational treatment in cancer trials. It uses counterfactual survival (survival when only reference treatment would have been used) and assumes that, at randomization, the counterfactual survival distribution for the investigational and reference arms is identical. Previous validation reports have assumed that patients in the investigational treatment arm stay on therapy throughout the study period. To evaluate the validity of the RPSFTM at various levels of crossover in situations in which patients are taken off the investigational drug in the investigational arm. The RPSFTM was applied to simulated datasets differing in percentage of patients switching, time of switching, underlying acceleration factor, and number of patients, using exponential distributions for the time on investigational and reference treatment. There were multiple scenarios in which two solutions were found: one corresponding to identical counterfactual distributions, and the other to two different crossing counterfactual distributions. The same was found for the hazard ratio (HR). Unique solutions were observed only when switching patients were on investigational treatment for <40% of the time that patients in the investigational arm were on treatment. Distributions other than exponential could have been used for time on treatment. An HR equal to 1 is a necessary but not always sufficient condition to indicate acceleration factors associated with equal counterfactual survival. Further assessment to distinguish crossing counterfactual curves from equal counterfactual curves is especially needed when the time that switchers stay on investigational treatment is relatively long compared to the time direct starters stay on investigational treatment.

  5. Structure and validity of sluggish cognitive tempo using an expanded item pool in children with attention-deficit/hyperactivity disorder.

    Science.gov (United States)

    McBurnett, Keith; Villodas, Miguel; Burns, G Leonard; Hinshaw, Stephen P; Beaulieu, Allyson; Pfiffner, Linda J

    2014-01-01

    We evaluated the latent structure and validity of an expanded pool of Sluggish Cognitive Tempo (SCT) items. An experimental rating scale with 44 candidate SCT items was administered to parents and teachers of 165 children in grades 2-5 (ages 7-11) recruited for a randomized clinical trial of a psychosocial intervention for Attention-Deficit/Hyperactivity Disorder, Predominantly Inattentive Type. Exploratory factor analyses (EFA) were used to extract items with high loadings (>0.59) on primary factors of SCT and low cross-loadings (0.30 or lower) on other SCT factors and on the Inattention factor of ADHD. Items were required to meet these criteria for both informants. This procedure reduced the pool to 15 items. Generally, items representing slowness and low initiative failed these criteria. SCT factors (termed Daydreaming, Working Memory Problems, and Sleepy/Tired) showed good convergent and discriminant validity in EFA and in a confirmatory model with ADHD factors. Simultaneous regressions of impairment and comorbidity on SCT and ADHD factors found that Daydreams was associated with global impairment, and Sleepy/Tired was associated with organizational problems and depression ratings, across both informants. For teachers, Daydreams also predicted ODD (inversely); Sleepy/Tired also predicted poor academic behavior, low social skills, and problem social behavior; and Working Memory Problems predicted organizational problems and anxiety. When depression, rather than ADHD, was included among the predictors, the only SCT-related associations rendered insignificant were the teacher-reported associations of Daydreams with ODD; Working Memory Problems with anxiety, and Sleepy/Tired with poor social skills. SCT appears to be meaningfully associated with impairment, even when controlling for depression. Common behaviors resembling Working Memory problems may represent a previously undescribed factor of SCT.

  6. Validation of a structured interview for telephone assessment of the modified Rankin Scale in Brazilian stroke patients.

    Science.gov (United States)

    Baggio, Jussara A O; Santos-Pontelli, Taiza E G; Cougo-Pinto, Pedro T; Camilo, Millene; Silva, Nathalia F; Antunes, Paula; Machado, Laura; Leite, João P; Pontes-Neto, Octavio M

    2014-01-01

    The modified Rankin Scale (mRS) is a commonly used scale to assess the functional outcome after stroke. Several studies on mRS showed good reliability, feasibility, and interrater agreement of this scale using a face-to-face assessment. However, telephone assessment is a more time-efficient way to obtain an mRS grade than a face-to-face interview. The aim of this study was to validate the telephone assessment of mRS among the Portuguese using a structured interview in a sample of Brazilian stroke patients. We evaluated 50 stroke outpatients twice. The first interview was face-to-face and the second was made by telephone and the time between the two assessments ranged between 7 and 14 days. Four certified raters evaluated the patients using a structured interview based on a questionnaire previously published in the literature. Raters were blinded for the Rankin score given by the other rater. For both assessments, the rater could also interview a caregiver if necessary. The patients' mean age was 62.8 ± 14.7, mean number of years of study 5.2 ± 3.4, 52% were males, 55.2% of patients needed a caregiver's help to answer the questions. The majority of caregivers were female (85%), mean age 49.1 ± 15, and mean number of years of study 8.3 ± 3.4. Perfect agreement between the telephone and face-to-face assessments was obtained for 27 (54%) patients, corresponding to an unweighted Kappa of 0.44 (95% CI 0.27-0.61) and a weighted Kappa of 0.89. The median of telephone assessment mRS was 3.5 (interquartile range = 2-4) and of face-to-face assessment was 4 (interquartile range = 2-5). There was no difference between the two assessments (Wilcoxon test, p = 0.35). Despite the low education level of our sample, the telephone assessment of functional impairment of stroke patients using a translated and culturally adapted Brazilian Portuguese version of the mRS showed good validity and reliability. Therefore, the telephone assessment of mRS can be used in clinical practice and

  7. Validation of the Penn Inventory of Scrupulosity (PIOS) in scrupulous and nonscrupulous patients: Revision of factor structure and psychometrics.

    Science.gov (United States)

    Huppert, Jonathan D; Fradkin, Isaac

    2016-06-01

    Scrupulosity, or obsessive-compulsive symptoms related to religiosity or religion, is a common presentation of obsessive compulsive disorder (OCD), and it is important to elucidate its phenomenology and measurement. Today, the most widespread questionnaire for the assessment of scrupulosity is the Penn Inventory of Scrupulosity (PIOS). The current study examines the psychometric properties of the PIOS in outpatient, treatment-seeking patients. Results of a confirmatory factor analysis suggested an unsatisfactory fit for previously suggested factor structures. A follow-up exploratory factor analysis suggested that a bifactor model was the most suitable solution. In addition, the scores of the PIOS and its revised subscales were found to have moderate-good concurrent validity; however, its scores discriminated poorly between patients with scrupulous obsessions and patients with OCD and other repugnant obsessions. Group differences and receiver operating characteristics (ROC) analyses both indicated that the PIOS is more suitable in discriminating scrupulous obsessions in Christian patients but not in other religious groups (i.e., Jews, nonreligious patients). Additional analyses revealed that the co-occurrence of scrupulous and other repugnant obsessions is also moderated by religious affiliation. These results raise questions in terms of grouping scrupulosity with other repugnant obsessions and suggest for the need of culturally sensitive instruments of scrupulosity. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  8. Validity of the independent-processes approximation for resonance structures in electron-ion scattering cross sections

    International Nuclear Information System (INIS)

    Badnell, N.R.; Pindzola, M.S.; Griffin, D.C.

    1991-01-01

    The total inelastic cross section for electron-ion scattering may be found in the independent-processes approximation by adding the resonant cross section to the nonresonant background cross section. We study the validity of this approximation for electron excitation of multiply charged ions. The resonant-excitation cross section is calculated independently using distorted waves for various Li-like and Na-like ions using (N+1)-electron atomic-structure methods previously developed for the calculation of dielectronic-recombination cross sections. To check the effects of interference between the two scattering processes, we also carry out detailed close-coupling calculations for the same atomic ions using the R-matrix method. For low ionization stages, interference effects manifest themselves sometimes as strong window features in the close-coupling cross section, which are not present in the independent-processes cross section. For higher ionization stages, however, the resonance features found in the independent-processes approximation are found to be in good agreement with the close-coupling results

  9. Emotional Responses to Suicidal Patients: Factor Structure, Construct, and Predictive Validity of the Therapist Response Questionnaire-Suicide Form

    Directory of Open Access Journals (Sweden)

    Shira Barzilay

    2018-04-01

    3-factor structure. It demonstrates construct validity for assessing distinct suicide-related countertransference to psychiatric outpatients. Mental health professionals’ emotional responses to their patients are concurrently indicative and prospectively predictive of suicidal thoughts and behaviors. Thus, the TRQ-SF is a useful tool for the study of countertransference in the treatment of suicidal patients and may help clinicians make diagnostic and therapeutic use of their own responses to improve assessment and intervention for individual suicidal patients.

  10. Emotional Responses to Suicidal Patients: Factor Structure, Construct, and Predictive Validity of the Therapist Response Questionnaire-Suicide Form.

    Science.gov (United States)

    Barzilay, Shira; Yaseen, Zimri S; Hawes, Mariah; Gorman, Bernard; Altman, Rachel; Foster, Adriana; Apter, Alan; Rosenfield, Paul; Galynker, Igor

    2018-01-01

    Mental health professionals have a pivotal role in suicide prevention. However, they also often have intense emotional responses, or countertransference, during encounters with suicidal patients. Previous studies of the Therapist Response Questionnaire-Suicide Form (TRQ-SF), a brief novel measure aimed at probing a distinct set of suicide-related emotional responses to patients found it to be predictive of near-term suicidal behavior among high suicide-risk inpatients. The purpose of this study was to validate the TRQ-SF in a general outpatient clinic setting. Adult psychiatric outpatients ( N  = 346) and their treating mental health professionals ( N  = 48) completed self-report assessments following their first clinic meeting. Clinician measures included the TRQ-SF, general emotional states and traits, therapeutic alliance, and assessment of patient suicide risk. Patient suicidal outcomes and symptom severity were assessed at intake and one-month follow-up. Following confirmatory factor analysis of the TRQ-SF, factor scores were examined for relationships with clinician and patient measures and suicidal outcomes. Factor analysis of the TRQ-SF confirmed three dimensions: (1) affiliation, (2) distress, and (3) hope. The three factors also loaded onto a single general factor of negative emotional response toward the patient that demonstrated good internal reliability. The TRQ-SF scores were associated with measures of clinician state anger and anxiety and therapeutic alliance, independently of clinician personality traits after controlling for the state- and patient-specific measures. The total score and three subscales were associated in both concurrent and predictive ways with patient suicidal outcomes, depression severity, and clinicians' judgment of patient suicide risk, but not with global symptom severity, thus indicating specifically suicide-related responses. The TRQ-SF is a brief and reliable measure with a 3-factor structure. It demonstrates

  11. Making the Transition from Diagnosis to Treatment-Planning: Validity, Reliability and Factor Structure of the Autism Spectrum Disorder Behaviour Checklist

    Science.gov (United States)

    Bitsika, Vicki; Sharpley, Christopher F.

    2018-01-01

    The validity, reliability and factor structure of the Autism Spectrum Disorder Behaviour Checklist-Revised (ASDBC-R) were measured in a sample of 140 boys with Autism Spectrum Disorder (ASD) aged between 6 and 18 years. Internal consistency (Cronbach's alpha) was satisfactory and the ASDBC-R significantly correlated with the Social Responsiveness…

  12. Modeling validation to structural flaws in the foundations of oil tanks; Validacao de modelagem para estudo de alteracoes estruturais em fundacoes de tanques de petroleo

    Energy Technology Data Exchange (ETDEWEB)

    Couto, Larissa Goncalves; Leite, Sandro Passos, E-mail: leite_sp@ig.com.br [Fundacao Tecnico-Educacional Souza Marques, Rio de Janeiro, RJ (Brazil). Faculdade de Engenharia; Pereira, Walsan Wagner [Instituto de Radioprotecao e Dosimetria, (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2014-07-01

    This paper presents the modeling of an experiment used to study the application of backscattered neutrons in the identification of structural flaws in the foundations of oil tanks. This modeling was a preliminary validation procedure of the method of calculation, performed with the radiation transport code MCNP, to study the application of backscattered neutrons as inspection tool. (author)

  13. Validation of a Quasi-Linear Numerical Model of a Pitching Wave Energy Converter in Close Proximity to a Fixed Structure

    DEFF Research Database (Denmark)

    López, Maria del Pilar Heras; Thomas, Sarah; Kramer, Morten Mejlhede

    2017-01-01

    attempting to validate a numerical model of a WEC using a variety of scaled physical tests in a waveflume. The technology used as a case study in this paper is a pitching WEC in close proximity to a fixed structure. Challenges are presented relating to waveflume effects and obtaining accurate physical input...

  14. Multilevel Factor Structure, Concurrent Validity, and Test-Retest Reliability of the High School Teacher Version of the Authoritative School Climate Survey

    Science.gov (United States)

    Huang, Francis L.; Cornell, Dewey G.

    2016-01-01

    Although school climate has long been recognized as an important factor in the school improvement process, there are few psychometrically supported measures based on teacher perspectives. The current study replicated and extended the factor structure, concurrent validity, and test-retest reliability of the teacher version of the Authoritative…

  15. The Theory of Planned Behavior (TPB) and Pre-Service Teachers' Technology Acceptance: A Validation Study Using Structural Equation Modeling

    Science.gov (United States)

    Teo, Timothy; Tan, Lynde

    2012-01-01

    This study applies the theory of planned behavior (TPB), a theory that is commonly used in commercial settings, to the educational context to explain pre-service teachers' technology acceptance. It is also interested in examining its validity when used for this purpose. It has found evidence that the TPB is a valid model to explain pre-service…

  16. Validation of geometric measurements of the left atrium and pulmonary veins for analysis of reverse structural remodeling following ablation therapy

    Science.gov (United States)

    Rettmann, M. E.; Holmes, D. R., III; Gunawan, M. S.; Ge, X.; Karwoski, R. A.; Breen, J. F.; Packer, D. L.; Robb, R. A.

    2012-03-01

    Geometric analysis of the left atrium and pulmonary veins is important for studying reverse structural remodeling following cardiac ablation therapy. It has been shown that the left atrium decreases in volume and the pulmonary vein ostia decrease in diameter following ablation therapy. Most analysis techniques, however, require laborious manual tracing of image cross-sections. Pulmonary vein diameters are typically measured at the junction between the left atrium and pulmonary veins, called the pulmonary vein ostia, with manually drawn lines on volume renderings or on image cross-sections. In this work, we describe a technique for making semi-automatic measurements of the left atrium and pulmonary vein ostial diameters from high resolution CT scans and multi-phase datasets. The left atrium and pulmonary veins are segmented from a CT volume using a 3D volume approach and cut planes are interactively positioned to separate the pulmonary veins from the body of the left atrium. The cut plane is also used to compute the pulmonary vein ostial diameter. Validation experiments are presented which demonstrate the ability to repeatedly measure left atrial volume and pulmonary vein diameters from high resolution CT scans, as well as the feasibility of this approach for analyzing dynamic, multi-phase datasets. In the high resolution CT scans the left atrial volume measurements show high repeatability with approximately 4% intra-rater repeatability and 8% inter-rater repeatability. Intra- and inter-rater repeatability for pulmonary vein diameter measurements range from approximately 2 to 4 mm. For the multi-phase CT datasets, differences in left atrial volumes between a standard slice-by-slice approach and the proposed 3D volume approach are small, with percent differences on the order of 3% to 6%.

  17. Development and validation of a bedside risk score for MRSA among patients hospitalized with complicated skin and skin structure infections

    Directory of Open Access Journals (Sweden)

    Zilberberg Marya D

    2012-07-01

    Full Text Available Abstract Background Methicillin-resistant Staphylococcus aureus (MRSA is a frequent cause of complicated skin and skin structure infections (cSSSI. Patients with MRSA require different empiric treatment than those with non-MRSA infections, yet no accurate tools exist to aid in stratifying the risk for a MRSA cSSSI. We sought to develop a simple bedside decision rule to tailor empiric coverage more accurately. Methods We conducted a large multicenter (N=62 hospitals retrospective cohort study in a US-based database between April 2005 and March 2009. All adult initial admissions with ICD-9-CM codes specific to cSSSI were included. Patients admitted with MRSA vs. non-MRSA were compared with regard to baseline demographic, clinical and hospital characteristics. We developed and validated a model to predict the risk of MRSA, and compared its performance via sensitivity, specificity and other classification statistics to the healthcare-associated (HCA infection risk factors. Results Of the 7,183 patients with cSSSI, 2,387 (33.2% had MRSA. Factors discriminating MRSA from non-MRSA were age, African-American race, no evidence of diabetes mellitus, cancer or renal dysfunction, and prior history of cardiac dysrhythmia. The score ranging from 0 to 8 points exhibited a consistent dose–response relationship. A MRSA score of 5 or higher was superior to the HCA classification in all characteristics, while that of 4 or higher was superior on all metrics except specificity. Conclusions MRSA is present in 1/3 of all hospitalized cSSSI. A simple bedside risk score can help discriminate the risk for MRSA vs. other pathogens with improved accuracy compared to the HCA definition.

  18. Extended criteria and predictors in college admission: Exploring the structure of study success and investigating the validity of domain knowledge

    Directory of Open Access Journals (Sweden)

    OLGA KUNINA

    2007-06-01

    Full Text Available The utility of aptitude tests and intelligence measures in the prediction of the success in college is one of the empirically best supported results in ability research. However, the structure of the criterion “study success” has not been appropriately investigated so far. Moreover, it remains unclear which aspect of intelligence – fluid intelligence or crystallized intelligence – has the major impact on the prediction. In three studies we have investigated the dimensionality of the criterion achievements as well as the relative contributions of competing ability predictors. In the first study, the dimensionality of college grades was explored in a sample of 629 alumni. A measurement model with two correlated latent factors distinguishing undergraduate college grades on the one hand from graduate college grades on the other hand had the best fit to the data. In the second study, a group of 179 graduate students completed a Psychology knowledge test and provided available college grades in undergraduate studies. A model separating a general latent factor for Psychology knowledge from a nested method factor for college grades, and a second nested factor for “experimental orientation” had the best fit to the data. In the third study the predictive power of domain specific knowledge tests in Mathematics, English, and Biology was investigated. A sample of 387 undergraduate students in this prospective study additionally completed a compilation of fluid intelligence tests. The results of this study indicate as expected that: a ability measures are incrementally predictive over school grades in predicting exam grades; and b that knowledge tests from relevant domains were incrementally predictive over fluid intelligence. The results of these studies suggest that criteria for college admission tests deserve and warrant more attention, and that domain specific ability indicators can contribute to the predictive validity of established

  19. Factor Structure and Initial Validation of a Multidimensional Measure of Difficulties in the Regulation of Positive Emotions: The DERS-Positive.

    Science.gov (United States)

    Weiss, Nicole H; Gratz, Kim L; Lavender, Jason M

    2015-05-01

    Emotion regulation difficulties are a transdiagnostic construct relevant to numerous clinical difficulties. Although the Difficulties in Emotion Regulation Scale (DERS) is a multidimensional measure of maladaptive ways of responding to emotions, it focuses on difficulties with the regulation of negative emotions and does not assess emotion dysregulation in the form of problematic responding to positive emotions. The aim of this study was to develop and validate a measure of clinically relevant difficulties in the regulation of positive emotions (DERS-Positive). Findings revealed a three-factor structure and supported the internal consistency and construct validity of the total and subscale scores. © The Author(s) 2015.

  20. The ADHD rating scale-IV preschool version: Factor structure, reliability, validity, and standardisation in a Danish community sample

    DEFF Research Database (Denmark)

    Lysdal Alexandre, Julie; Lange, Anne-Mette; Bilenberg, Niels

    2018-01-01

    Background: ADHD is a debilitating disorder with symptoms often appearing in early childhood. To facilitate early identification, developmentally appropriate and validated assessment tools for the preschool-age are needed. Aims: The current study aims to examine the psychometric properties...

  1. Neighbourhood social and built environment factors and falls in community-dwelling canadian older adults: A validation study and exploration of structural confounding

    Directory of Open Access Journals (Sweden)

    Afshin Vafaei

    2016-12-01

    Full Text Available Older persons are vulnerable to the ill effects of their social and built environment due to age-related limitations in mobility and bio-psychological vulnerability. Falls are common in older adults and result from complex interactions between individual, social, and contextual determinants. We addressed two methodological issues of neighbourhood-health and social epidemiological studies in this analysis: (1 validity of measures of neighbourhood contexts, and (2 structural confounding resulting from social sorting mechanisms. Baseline data from International Mobility in Aging Study were used. Samples included community-dwelling Canadians older than 65 living in Kingston (Ontario and St-Hyacinthe (Quebec. We performed factor analysis and ecometric analysis to assess the validity of measures of neighbourhood social capital, socioeconomic status, and the built environment and stratified tabular analyses to explore structural confounding. The scales all demonstrated good psychometric and ecometric properties. There was an evidence of the existence of structural confounding in this sample of Canadian older adults as some combinations of strata for the three neighbourhood measures had no population. This limits causal inference in studying relationships between neighbourhood factors and falls and should be taken into account in aetiological aging research. Keywords: Ecometric analysis, Falls, Social and built environment, Neighbourhoods, Older adults, Social Capital, Structural confounding, Validity

  2. The DUNDRUM-1 structured professional judgment for triage to appropriate levels of therapeutic security: retrospective-cohort validation study

    Directory of Open Access Journals (Sweden)

    O'Neill Conor

    2011-03-01

    Full Text Available Abstract Background The assessment of those presenting to prison in-reach and court diversion services and those referred for admission to mental health services is a triage decision, allocating the patient to the appropriate level of therapeutic security. This is a critical clinical decision. We set out to improve on unstructured clinical judgement. We collated qualitative information and devised an 11 item structured professional judgment instrument for this purpose then tested for validity. Methods All those assessed following screening over a three month period at a busy remand committals prison (n = 246 were rated in a retrospective cohort design blind to outcome. Similarly, all those admitted to a mental health service from the same prison in-reach service over an overlapping two year period were rated blind to outcome (n = 100. Results The 11 item scale had good internal consistency (Cronbach's alpha = 0.95 and inter-rater reliability. The scale score did not correlate with the HCR-20 'historical' score. For the three month sample, the receiver operating characteristic area under the curve (AUC for those admitted to hospital was 0.893 (95% confidence interval 0.843 to 0.943. For the two year sample, AUC distinguished at each level between those admitted to open wards, low secure units or a medium/high secure service. Open wards v low secure units AUC = 0.805 (95% CI 0.680 to 0.930; low secure v medium/high secure AUC = 0.866, (95% CI 0.784 to 0.949. Item to outcome correlations were significant for all 11 items. Conclusions The DUNDRUM-1 triage security scale and its items performed to criterion levels when tested against the real world outcome. This instrument can be used to ensure consistency in decision making when deciding who to admit to secure forensic hospitals. It can also be used to benchmark admission thresholds between services and jurisdictions. In this study we found some divergence between assessed need and actual placement

  3. The DUNDRUM-1 structured professional judgment for triage to appropriate levels of therapeutic security: retrospective-cohort validation study

    Science.gov (United States)

    2011-01-01

    Background The assessment of those presenting to prison in-reach and court diversion services and those referred for admission to mental health services is a triage decision, allocating the patient to the appropriate level of therapeutic security. This is a critical clinical decision. We set out to improve on unstructured clinical judgement. We collated qualitative information and devised an 11 item structured professional judgment instrument for this purpose then tested for validity. Methods All those assessed following screening over a three month period at a busy remand committals prison (n = 246) were rated in a retrospective cohort design blind to outcome. Similarly, all those admitted to a mental health service from the same prison in-reach service over an overlapping two year period were rated blind to outcome (n = 100). Results The 11 item scale had good internal consistency (Cronbach's alpha = 0.95) and inter-rater reliability. The scale score did not correlate with the HCR-20 'historical' score. For the three month sample, the receiver operating characteristic area under the curve (AUC) for those admitted to hospital was 0.893 (95% confidence interval 0.843 to 0.943). For the two year sample, AUC distinguished at each level between those admitted to open wards, low secure units or a medium/high secure service. Open wards v low secure units AUC = 0.805 (95% CI 0.680 to 0.930); low secure v medium/high secure AUC = 0.866, (95% CI 0.784 to 0.949). Item to outcome correlations were significant for all 11 items. Conclusions The DUNDRUM-1 triage security scale and its items performed to criterion levels when tested against the real world outcome. This instrument can be used to ensure consistency in decision making when deciding who to admit to secure forensic hospitals. It can also be used to benchmark admission thresholds between services and jurisdictions. In this study we found some divergence between assessed need and actual placement. This provides fertile

  4. Partial validation of a French version of the ADHD-rating scale IV on a French population of children with ADHD and epilepsy. Factorial structure, reliability, and responsiveness.

    Science.gov (United States)

    Mercier, Catherine; Roche, Sylvain; Gaillard, Ségolène; Kassai, Behrouz; Arzimanoglou, Alexis; Herbillon, Vania; Roy, Pascal; Rheims, Sylvain

    2016-05-01

    Attention deficit hyperactivity disorder (ADHD) is a well-known comorbidity in children with epilepsy. In English-speaking countries, the scores of the original ADHD-rating scale IV are currently used as main outcomes in various clinical trials in children with epilepsy. In French-speaking countries, several French versions are in use though none has been fully validated yet. We sought here for a partial validation of a French version of the ADHD-RS IV regarding construct validity, internal consistency (i.e., scale reliability), item reliability, and responsiveness in a group of French children with ADHD and epilepsy. The study involved 167 children aged 6-15years in 10 French neuropediatric units. The factorial structure and item reliability were assessed with a confirmatory factorial analysis for ordered categorical variables. The dimensions' internal consistency was assessed with Guttman's lambda 6 coefficient. The responsiveness was assessed by the change in score under methylphenidate and in comparison with a control group. The results confirmed the original two-dimensional factorial structure (inattention, hyperactivity/impulsivity) and showed a satisfactory reliability of most items, a good dimension internal consistency, and a good responsiveness of the total score and the two subscores. The studied French version of the ADHD-RS IV is thus validated regarding construct validity, reliability, and responsiveness. It can now be used in French-speaking countries in clinical trials of treatments involving children with ADHD and epilepsy. The full validation requires further investigations. Copyright © 2016 Elsevier Inc. All rights reserved.

  5. STRUCTURE AND VALIDATION OF A CONTEXTUAL QUALITY OF LIFE SCALE FOR PEOPLE WITH INTELLECTUAL DISABILITIES IN SOCIAL SERVICES: AN ORGANIZATION-ORIENTED MEASURE FROM AN EXTERNAL PERSPECTIVE

    Directory of Open Access Journals (Sweden)

    Carolina Moliner

    2013-09-01

    Full Text Available The aim of this study is to develop and validate a scale on the Quality of Life (QoL of people with intellectual disabilities as assessed by family members (external perspective. The instrument measures improvement in QoL due to actions by organizations delivering services to individuals with intellectual disabilities (organization-oriented measure. In order to design the items for the scale, focus groups were set up with professionals dedicated to attending to individuals with intellectual disabilities. An initial scale of 20 items was constructed by consensus. A total of 1195 family members answered the questionnaire. In order to assess the structure of the scale, EFA recommended deleting 3 overlapping items. The final scale consisted of 17 items (α=95 and was composed of four main dimensions: self-determination (SD, social inclusion (SI, rights (RI and overall improvement (OI, which explained 74.83% of the variance. Finally, the consistency and validity were assessed. Convergent validity and discriminant validity were satisfactory. Moreover, CFA confirmed the structure of the scale. Main conclusions, limitations and practical implications are discussed.

  6. Validation of a novel duplex ultrasound objective structured assessment of technical skills (DUOSATS) for arterial stenosis detection.

    Science.gov (United States)

    Jaffer, U; Singh, P; Pandey, V A; Aslam, M; Standfield, N J

    2014-01-01

    Duplex ultrasound facilitates bedside diagnosis and hence timely patient care. Its uptake has been hampered by training and accreditation issues. We have developed an assessment tool for Duplex arterial stenosis measurement for both simulator and patient based training. A novel assessment tool: duplex ultrasound assessment of technical skills was developed. A modified duplex ultrasound assessment of technical skills was used for simulator training. Novice, intermediate experience and expert users of duplex ultrasound were invited to participate. Participants viewed an instructional video and were allowed ample time to familiarize with the equipment. Participants' attempts were recorded and independently assessed by four experts using the modified duplex ultrasound assessment of technical skills. 'Global' assessment was also done on a four point Likert scale. Content, construct and concurrent validity as well as reliability were evaluated. Content and construct validity as well as reliability were demonstrated. The simulator had good satisfaction rating from participants: median 4; range 3-5. Receiver operator characteristic analysis has established a cut point of 22/ 34 and 25/ 40 were most appropriate for simulator and patient based assessment respectively. We have validated a novel assessment tool for duplex arterial stenosis detection. Further work is underway to establish transference validity of simulator training to improved skill in scanning patients. We have developed and validated duplex ultrasound assessment of technical skills for simulator training.

  7. Validation of a novel venous duplex ultrasound objective structured assessment of technical skills for the assessment of venous reflux.

    Science.gov (United States)

    Jaffer, Usman; Normahani, Pasha; Lackenby, Kimberly; Aslam, Mohammed; Standfield, Nigel J

    2015-01-01

    Duplex ultrasound measurement of reflux time is central to the diagnosis of venous incompetence. We have developed an assessment tool for Duplex measurement of venous reflux for both simulator and patient-based training. A novel assessment tool, Venous Duplex Ultrasound Assessment of Technical Skills (V-DUOSATS), was developed. A modified DUOSATS was used for simulator training. Participants of varying skill level were invited to viewed an instructional video and were allowed ample time to familiarize with the Duplex equipment. Attempts made by the participants were recorded and independently assessed by 3 expert assessors and 5 novice assessors using the modified V-DUOSATS. "Global" assessment was also done by expert assessors on a 4-point Likert scale. Content, construct, and concurrent validities as well as reliability were evaluated. Content and construct validity as well as reliability were demonstrated. Receiver operator characteristic analysis-established cut points of 19/22 and 21/30 were most appropriate for simulator and patient-based assessment, respectively. We have validated a novel assessment tool for Duplex venous reflux measurement. Further work is required to establish transference validity of simulator training to improve skill in scanning patients. We have developed and validated V-DUOSATS for simulator training. Copyright © 2015 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

  8. Magnetic Decoupling Design and Experimental Validation of a Radial-Radial Flux Compound-Structure Permanent-Magnet Synchronous Machine for HEVs

    Directory of Open Access Journals (Sweden)

    Zhiyi Song

    2012-10-01

    Full Text Available The radial-radial flux compound-structure permanent-magnet synchronous machine (CS-PMSM, integrated by two concentrically arranged permanent-magnet electric machines, is an electromagnetic power-splitting device for hybrid electric vehicles (HEVs. As the two electric machines share a rotor as structural and magnetic common part, their magnetic paths are coupled, leading to possible mutual magnetic-field interference and complex control. In this paper, a design method to ensure magnetic decoupling with minimum yoke thickness of the common rotor is investigated. A prototype machine is designed based on the proposed method, and the feasibility of magnetic decoupling and independent control is validated by experimental tests of mutual influence. The CS-PMSM is tested by a designed driving cycle, and functions to act as starter motor, generator and to help the internal combustion engine (ICE operate at optimum efficiency are validated.

  9. The Impact of Structural Break(s on the Validity of Purchasing Power Parity in Turkey: Evidence from Zivot-Andrews and Lagrange Multiplier Unit Root Tests

    Directory of Open Access Journals (Sweden)

    Hakan Kum

    2012-01-01

    Full Text Available This study examines the validity of the purchasing power parity (PPP in Turkey for annual data from 1953 to 2009. While results from both the ADF unit root and the DF-GLS unit root test indicate mixed results, PPP holds for Turkey with the presence of structural breaks which are obtained by Zivot and Andrews and Lagrange Multiplier unit root tests.

  10. The feeding practices and structure questionnaire: construction and initial validation in a sample of Australian first-time mothers and their 2-year olds.

    Science.gov (United States)

    Jansen, Elena; Mallan, Kimberley M; Nicholson, Jan M; Daniels, Lynne A

    2014-06-04

    Early feeding practices lay the foundation for children's eating habits and weight gain. Questionnaires are available to assess parental feeding but overlapping and inconsistent items, subscales and terminology limit conceptual clarity and between study comparisons. Our aim was to consolidate a range of existing items into a parsimonious and conceptually robust questionnaire for assessing feeding practices with very young children (review 10 factors were specified. Of these, 9 factors (40 items) showed acceptable model fit and internal reliability (Cronbach's α: 0.61-0.89). Four factors reflected non-responsive feeding practices: 'Distrust in Appetite', 'Reward for Behaviour', 'Reward for Eating', and 'Persuasive Feeding'. Five factors reflected structure of the meal environment and limits: 'Structured Meal Setting', 'Structured Meal Timing', 'Family Meal Setting', 'Overt Restriction' and 'Covert Restriction'. Feeding practices generally showed the expected pattern of associations with child eating behaviours but none with weight. The Feeding Practices and Structure Questionnaire (FPSQ) provides a new reliable and valid measure of parental feeding practices, specifically maternal responsiveness to children's hunger/satiety signals facilitated by routine and structure in feeding. Further validation in more diverse samples is required.

  11. Screening ADHD Problems in the Sports Behavior Checklist: Factor Structure, Convergent and Divergent Validity, and Group Differences

    Science.gov (United States)

    Clendenin, Aaron A.; Businelle, Michael S.; Kelley, Mary Lou

    2005-01-01

    The Sports Behavior Checklist (SBC) is subjected to a principal components analysis, and subscales are correlated with subscales of the Conners' Revised Parent Form and the Social Skills Rating System. Both of these analyses are conducted to determine the construct validity of the instrument. A subsample of lower socioeconomic status individuals…

  12. Factor Structure of the Schalock and Keith Quality of Life Questionnaire (QOL-Q): Validation on Mexican and Spanish Samples

    Science.gov (United States)

    Caballo, C.; Crespo, M.; Jenaro, C.; Verdugo, M. A.; Martinez, J. L.

    2005-01-01

    Background: The Quality of Life Questionnaire (QOL-Q) is used widely to evaluate the quality of life of persons with intellectual disability (ID). Its validity for use with Spanish-speaking cultures has been demonstrated for individuals with visual disabilities, but not for those with physical or intellectual disabilities. Such was the purpose of…

  13. Psychosocial Adjustment to Illness Scale: Factor structure, reliability, and validity assessment in a sample of Greek breast cancer patients.

    Science.gov (United States)

    Kolokotroni, Philippa; Anagnostopoulos, Fotios; Missitzis, Ioannis

    2017-07-01

    The study and measurement of psychosocial adjustment is important for evaluating patients' well-being, and assessing the illness's course, treatment's success, and patients' recovery. In this study, internal consistency reliability and construct validity of the Greek version of the Psychosocial Adjustment to Illness Scale-Self-Report (PAIS-SR) were examined. Demographic and psychosocial data were collected from a sample of 243 women with breast cancer, recruited from September 2011 to December 2012. With some exceptions in specific items, the original conceptually-derived PAIS-SR subscales emerged in a seven-factor solution. Social Environment, Job and Household Duties, and Psychological Distress accounted for more of the total variance than other subscales. PAIS-SR showed good internal consistency reliability, with Cronbach's alpha coefficients >0.62. Correlations of PAIS-SR domains with measures of quality of life and posttraumatic stress symptoms supported the convergent validity of the PAIS-SR and its significance for cancer research. The Greek version of the PAIS-SR has acceptable internal consistency reliability and construct validity, as well as satisfactory convergent validity. Results provide some suggestions for the development of programs to evaluate adjustment status and implement psychosocial interventions among breast cancer survivors.

  14. Structural Validity of the MACI Psychopathy and Narcissism Scales: Evidence of Multidimensionality and Implications for Use in Research and Screening

    Science.gov (United States)

    Penney, Stephanie R.; Moretti, Marlene M.; Da Silva, Kimberley S.

    2008-01-01

    This study investigated the psychometric properties and predictive validity of three self-report scales (the Psychopathy Content Scale, the Psychopathy-16 scale, and the Egotistic scale) derived from the Millon Adolescent Clinical Inventory (MACI) to screen for the presence of psychopathic and narcissistic personality characteristics. Exploratory…

  15. The Iranian Version of the Exercise Self-Efficacy Scale (ESES): Factor Structure, Internal Consistency and Construct Validity

    Science.gov (United States)

    Noroozi, Azita; Ghofranipour, Fazlollah; Heydarnia, Ali Reza; Nabipour, Iraj; Tahmasebi, Rahim; Tavafian, Sedighe Sadat

    2011-01-01

    Purpose: The exercise self-efficacy scale (ESES) is largely used among diabetic patients to enhance exercise behaviour. However, the Iranian version of ESES was not available. The aim of this study was to validate ESES in this country. Method: Data were collected from 348 women who referred to a diabetes institute in Iran through convenience…

  16. Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation

    NARCIS (Netherlands)

    Swart, M.; Rosler, E.; Bickelhaupt, F.M.

    2006-01-01

    We have carried out an extensive exploration of the gas-phase basicity of archetypal neutral bases across the periodic system using the generalized gradient approximation (GGA) of the density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing

  17. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).

    Science.gov (United States)

    van de Streek, Jacco; Neumann, Marcus A

    2014-12-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom.

  18. Structure of solid monolayers and multilayers of n-hexane on graphite

    Indian Academy of Sciences (India)

    Unknown

    We present all-atom molecular dynamics simulations of n-hexane on the ... cluster of n-hexane molecules on graphite, using the all-atom interaction model. ... We do not include such molecules in our analyses of the structure factor and other.

  19. The feeding practices and structure questionnaire: construction and initial validation in a sample of Australian first-time mothers and their 2-year olds

    Science.gov (United States)

    2014-01-01

    Background Early feeding practices lay the foundation for children’s eating habits and weight gain. Questionnaires are available to assess parental feeding but overlapping and inconsistent items, subscales and terminology limit conceptual clarity and between study comparisons. Our aim was to consolidate a range of existing items into a parsimonious and conceptually robust questionnaire for assessing feeding practices with very young children (years). Methods Data were from 462 mothers and children (age 21–27 months) from the NOURISH trial. Items from five questionnaires and two study-specific items were submitted to a priori item selection, allocation and verification, before theoretically-derived factors were tested using Confirmatory Factor Analysis. Construct validity of the new factors was examined by correlating these with child eating behaviours and weight. Results Following expert review 10 factors were specified. Of these, 9 factors (40 items) showed acceptable model fit and internal reliability (Cronbach’s α: 0.61-0.89). Four factors reflected non-responsive feeding practices: ‘Distrust in Appetite’, ‘Reward for Behaviour’, ‘Reward for Eating’, and ‘Persuasive Feeding’. Five factors reflected structure of the meal environment and limits: ‘Structured Meal Setting’, ‘Structured Meal Timing’, ‘Family Meal Setting’, ‘Overt Restriction’ and ‘Covert Restriction’. Feeding practices generally showed the expected pattern of associations with child eating behaviours but none with weight. Conclusion The Feeding Practices and Structure Questionnaire (FPSQ) provides a new reliable and valid measure of parental feeding practices, specifically maternal responsiveness to children’s hunger/satiety signals facilitated by routine and structure in feeding. Further validation in more diverse samples is required. PMID:24898364

  20. Cross-Cultural Adaptation of the Profile Fitness Mapping Neck Questionnaire to Brazilian Portuguese: Internal Consistency, Reliability, and Construct and Structural Validity.

    Science.gov (United States)

    Ferreira, Mariana Cândido; Björklund, Martin; Dach, Fabiola; Chaves, Thais Cristina

    The purpose of this study was to adapt and evaluate the psychometric properties of the ProFitMap-neck to Brazilian Portuguese. The cross-cultural adaptation consisted of 5 stages, and 180 female patients with chronic neck pain participated in the study. A subsample (n = 30) answered the pretest, and another subsample (n = 100) answered the questionnaire a second time. Internal consistency, test-retest reliability, and construct validity (hypothesis testing and structural validity) were estimated. For construct validity, the scores of the questionnaire were correlated with the Neck Disability Index (NDI), and the Hospital Anxiety and Depression Scale (HADS), the Tampa Scale of Kinesiophobia (TSK), and the 36-item Short-Form Health Survey (SF-36). Internal consistency was determined by adequate Cronbach's α values (α > 0.70). Strong reliability was identified by high intraclass correlation coefficients (ICC > 0.75). Construct validity was identified by moderate and strong correlations of the Br-ProFitMap-neck with total NDI score (-0.56 50%, Kaiser-Meyer-Olkin index > 0.50, eigenvalue > 1, and factor loadings > 0.2. Br-ProFitMap-neck had adequate psychometric properties and can be used in clinical settings, as well as research, in patients with chronic neck pain. Copyright © 2017. Published by Elsevier Inc.

  1. Direct-contact condensers for open-cycle OTEC applications: Model validation with fresh water experiments for structured packings

    Energy Technology Data Exchange (ETDEWEB)

    Bharathan, D.; Parsons, B.K.; Althof, J.A.

    1988-10-01

    The objective of the reported work was to develop analytical methods for evaluating the design and performance of advanced high-performance heat exchangers for use in open-cycle thermal energy conversion (OC-OTEC) systems. This report describes the progress made on validating a one-dimensional, steady-state analytical computer of fresh water experiments. The condenser model represents the state of the art in direct-contact heat exchange for condensation for OC-OTEC applications. This is expected to provide a basis for optimizing OC-OTEC plant configurations. Using the model, we examined two condenser geometries, a cocurrent and a countercurrent configuration. This report provides detailed validation results for important condenser parameters for cocurrent and countercurrent flows. Based on the comparisons and uncertainty overlap between the experimental data and predictions, the model is shown to predict critical condenser performance parameters with an uncertainty acceptable for general engineering design and performance evaluations. 33 refs., 69 figs., 38 tabs.

  2. The Psychometric Properties of the Center for Epidemiologic Studies Depression Scale in Chinese Primary Care Patients: Factor Structure, Construct Validity, Reliability, Sensitivity and Responsiveness.

    Science.gov (United States)

    Chin, Weng Yee; Choi, Edmond P H; Chan, Kit T Y; Wong, Carlos K H

    2015-01-01

    The Center for Epidemiologic Studies Depression Scale (CES-D) is a commonly used instrument to measure depressive symptomatology. Despite this, the evidence for its psychometric properties remains poorly established in Chinese populations. The aim of this study was to validate the use of the CES-D in Chinese primary care patients by examining factor structure, construct validity, reliability, sensitivity and responsiveness. The psychometric properties were assessed amongst a sample of 3686 Chinese adult primary care patients in Hong Kong. Three competing factor structure models were examined using confirmatory factor analysis. The original CES-D four-structure model had adequate fit, however the data was better fit into a bi-factor model. For the internal construct validity, corrected item-total correlations were 0.4 for most items. The convergent validity was assessed by examining the correlations between the CES-D, the Patient Health Questionnaire 9 (PHQ-9) and the Short Form-12 Health Survey (version 2) Mental Component Summary (SF-12 v2 MCS). The CES-D had a strong correlation with the PHQ-9 (coefficient: 0.78) and SF-12 v2 MCS (coefficient: -0.75). Internal consistency was assessed by McDonald's omega hierarchical (ωH). The ωH value for the general depression factor was 0.855. The ωH values for "somatic", "depressed affect", "positive affect" and "interpersonal problems" were 0.434, 0.038, 0.738 and 0.730, respectively. For the two-week test-retest reliability, the intraclass correlation coefficient was 0.91. The CES-D was sensitive in detecting differences between known groups, with the AUC >0.7. Internal responsiveness of the CES-D to detect positive and negative changes was satisfactory (with p value 0.2). The CES-D was externally responsive, with the AUC>0.7. The CES-D appears to be a valid, reliable, sensitive and responsive instrument for screening and monitoring depressive symptoms in adult Chinese primary care patients. In its original four

  3. The Psychometric Properties of the Center for Epidemiologic Studies Depression Scale in Chinese Primary Care Patients: Factor Structure, Construct Validity, Reliability, Sensitivity and Responsiveness.

    Directory of Open Access Journals (Sweden)

    Weng Yee Chin

    Full Text Available The Center for Epidemiologic Studies Depression Scale (CES-D is a commonly used instrument to measure depressive symptomatology. Despite this, the evidence for its psychometric properties remains poorly established in Chinese populations. The aim of this study was to validate the use of the CES-D in Chinese primary care patients by examining factor structure, construct validity, reliability, sensitivity and responsiveness.The psychometric properties were assessed amongst a sample of 3686 Chinese adult primary care patients in Hong Kong. Three competing factor structure models were examined using confirmatory factor analysis. The original CES-D four-structure model had adequate fit, however the data was better fit into a bi-factor model. For the internal construct validity, corrected item-total correlations were 0.4 for most items. The convergent validity was assessed by examining the correlations between the CES-D, the Patient Health Questionnaire 9 (PHQ-9 and the Short Form-12 Health Survey (version 2 Mental Component Summary (SF-12 v2 MCS. The CES-D had a strong correlation with the PHQ-9 (coefficient: 0.78 and SF-12 v2 MCS (coefficient: -0.75. Internal consistency was assessed by McDonald's omega hierarchical (ωH. The ωH value for the general depression factor was 0.855. The ωH values for "somatic", "depressed affect", "positive affect" and "interpersonal problems" were 0.434, 0.038, 0.738 and 0.730, respectively. For the two-week test-retest reliability, the intraclass correlation coefficient was 0.91. The CES-D was sensitive in detecting differences between known groups, with the AUC >0.7. Internal responsiveness of the CES-D to detect positive and negative changes was satisfactory (with p value 0.2. The CES-D was externally responsive, with the AUC>0.7.The CES-D appears to be a valid, reliable, sensitive and responsive instrument for screening and monitoring depressive symptoms in adult Chinese primary care patients. In its original

  4. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

    DEFF Research Database (Denmark)

    van de Streek, Jacco; Neumann, Marcus A

    2014-01-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published...

  5. xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures.

    Science.gov (United States)

    McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

    2014-09-01

    X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of D-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

  6. Validating the cross-cultural factor structure and invariance property of the Insomnia Severity Index: evidence based on ordinal EFA and CFA.

    Science.gov (United States)

    Chen, Po-Yi; Yang, Chien-Ming; Morin, Charles M

    2015-05-01

    The purpose of this study is to examine the factor structure of the Insomnia Severity Index (ISI) across samples recruited from different countries. We tried to identify the most appropriate factor model for the ISI and further examined the measurement invariance property of the ISI across samples from different countries. Our analyses included one data set collected from a Taiwanese sample and two data sets obtained from samples in Hong Kong and Canada. The data set collected in Taiwan was analyzed with ordinal exploratory factor analysis (EFA) to obtain the appropriate factor model for the ISI. After that, we conducted a series of confirmatory factor analyses (CFAs), which is a special case of the structural equation model (SEM) that concerns the parameters in the measurement model, to the statistics collected in Canada and Hong Kong. The purposes of these CFA were to cross-validate the result obtained from EFA and further examine the cross-cultural measurement invariance of the ISI. The three-factor model outperforms other models in terms of global fit indices in Taiwan's population. Its external validity is also supported by confirmatory factor analyses. Furthermore, the measurement invariance analyses show that the strong invariance property between the samples from different cultures holds, providing evidence that the ISI results obtained in different cultures are comparable. The factorial validity of the ISI is stable in different populations. More importantly, its invariance property across cultures suggests that the ISI is a valid measure of the insomnia severity construct across countries. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Factor Structure, Validity, Reliability and Normalization of the Adult Attention Deficit/Hyperactivity Disorder Scale in Iranian Sample

    Directory of Open Access Journals (Sweden)

    Nafiseh Tabatabaei

    2016-08-01

    Full Text Available Background and Objectives: Researches on attention deficit and hyperactivity disorder indicated that this common disorder would not be resolved with age and continues into adulthood. This study was carried out with the objective of validation and normalization of diagnostic scale of adult attention deficit/hyperactivity disorder scale in Iranian sample. Methods: This study was performed as a psychometric study on the patients (1400 to 1600 cases referred to two psychiatry and neurology clinics in Tehran in the autumn and winter of 2014. Among these patients, 301 persons were selected by purposeful non-random sampling according to the sample size formula based on ratio or two-value variable (patient and non-patient and related questionnaire was administered to them. Cronbach's alpha, Spearman- Brown, and Guttmann’s coefficients was used to evaluate concurrent validity and reliability and exploratory and confirmatory factor analysis in order to assess the construct validity. Results: In this study, Cronbach's alpha of the total scale was 0.88 and for the subscales of inattention, hyperactivity, and impulsivity were 0.82, 0.72, 0.67, respectively. The correlation coefficients between the mentioned scale and adult attention deficit/hyperactivity questionnaire (Wender Utah was obtained 0.59, and between the subscales and the Wender Utah questionnaire, were 0.56, 0.49, and 0.40, respectively, which all three were significant (p<0/01. Confirmatory factor analysis results showed that this scale has three factors and two goodness-of-fit indices. Conclusion: The results of this study revealed that specialists can diagnose and treat the patients using this diagnostic scale.

  8. Factor Structure and Predictive Validity of a Homework Motivation Measure for Use With Middle School Students With Attention-Deficit/Hyperactivity Disorder (ADHD).

    Science.gov (United States)

    Langberg, Joshua M; Smith, Zoe R; Dvorsky, Melissa R; Molitor, Stephen J; Bourchtein, Elizaveta; Eddy, Laura D; Eadeh, Hana-May; Oddo, Lauren E

    2017-08-31

    Many students with attention-deficit/hyperactivity disorder (ADHD) exhibit deficits in motivation to pursue long-term goals. Students with ADHD have particular difficulty with motivation to complete homework-related tasks and often fail to complete assignments. Although these problems are common and may impact academic performance, no homework-motivation measures have been validated for use with students with ADHD. The primary goal of the present study was to evaluate the factor structure and predictive validity of a homework-motivation measure based upon the expectancy-value theory of achievement motivation. A sample of 285 middle school students with ADHD completed the measure, and confirmatory factor analysis was used to evaluate the proposed factor structure and associations with parent and teacher ratings of homework performance. A 2-factor structure emerged, and model fit was excellent. Further, student-rated ability-expectancy beliefs demonstrated significant associations with parent-rated homework problems and performance and with teacher-rated homework performance and percentage of assignments turned in above and beyond ADHD symptoms. Future directions for studying the importance of motivation in students with ADHD are provided, with particular attention to the role that reward sensitivity may play in motivation. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  9. Quantitative Structure-Use Relationship Model thresholds for Model Validation, Domain of Applicability, and Candidate Alternative Selection

    Data.gov (United States)

    U.S. Environmental Protection Agency — This file contains value of the model training set confusion matrix, domain of applicability evaluation based on training set to predicted chemicals structural...

  10. Testing of the OMERACT 8 draft validation criteria for a soluble biomarker reflecting structural damage in rheumatoid arthritis: a systematic literature search on 5 candidate biomarkers

    DEFF Research Database (Denmark)

    Syversen, Silje W; Landewe, Robert; van der Heijde, Désirée

    2009-01-01

    OBJECTIVE: To test the OMERACT 8 draft validation criteria for soluble biomarkers by assessing the strength of literature evidence in support of 5 candidate biomarkers. METHODS: A systematic literature search was conducted on the 5 soluble biomarkers RANKL, osteoprotegerin (OPG), matrix...... metalloprotease (MMP-3), urine C-telopeptide of types I and II collagen (U-CTX-I and U CTX-II), focusing on the 14 OMERACT 8 criteria. Two electronic voting exercises were conducted to address: (1) strength of evidence for each biomarker as reflecting structural damage according to each individual criterion...

  11. Validation by numerical simulation of the behaviour of protective structures of machinery cabins subjected to standardized shocks

    Science.gov (United States)

    Dumitrache, P.; Goanţă, A. M.

    2017-08-01

    The ability of the cabins to insure the operator protection in the case of the shock loading that appears at the roll-over of the machine or when the cab is struck by the falling objects, it’s one of the most important performance criterions that it must comply by the machines and the mobile equipments. The experimental method provides the most accurate information on the behaviour of protective structures, but generates high costs due to experimental installations and structures which may be compromised during the experiments. In these circumstances, numerical simulation of the actual problem (mechanical shock applied to a strength structure) is a perfectly viable alternative, given that the hardware and software current performances provides the necessary support to obtain results with an acceptable level of accuracy. In this context, the paper proposes using FEA platforms for virtual testing of the actual strength structures of the cabins using their finite element models based on 3D models generated in CAD environments. In addition to the economic advantage above mentioned, although the results obtained by simulation using the finite element method are affected by a number of simplifying assumptions, the adequate modelling of the phenomenon can be a successful support in the design process of structures to meet safety performance criteria imposed by current standards. In the first section of the paper is presented the general context of the security performance requirements imposed by current standards on the cabins strength structures. The following section of the paper is dedicated to the peculiarities of finite element modelling in problems that impose simulation of the behaviour of structures subjected to shock loading. The final section of the paper is dedicated to a case study and to the future objectives.

  12. Measuring self-concept among African-Americans: validating the factor structure of the self-perception profile for adolescents.

    Science.gov (United States)

    Powell-Young, Yolanda M; Spruill, Ida J

    2011-12-01

    The purpose of this investigation was to examine the reliability and factor structure of the Harter Self-Perception Profile for Adolescents (SPPA) with African-Americans. While the SPPA has demonstrated strong psychometric properties with European-Americans, limited information exists with African-Americans. Three hundred and ten (N = 310) female adolescents, from 14 through 18 years of age, completed the SPPA. Estimations of internal consistency reliability with Cronbach's alpha (alpha), item suitability with Pearson (gamma) correlations, and evaluation of factor structure fit utilizing principle axis extraction with oblimin (oblique) rotation were conducted. When compared with Harter's normative data, psychometric properties of the SPPA varied significantly with the current sample. Findings suggested cautious interpretation of data generated with demographically similar cohorts. Further study is warranted to ascertain the factor structure that is most relevant for use with African-American adolescents.

  13. Factor structure, reliability, and validity of the Japanese version of the Hoarding Rating Scale-Self-Report (HRS-SR-J

    Directory of Open Access Journals (Sweden)

    Tsuchiyagaito A

    2017-05-01

    Full Text Available Aki Tsuchiyagaito,1–3 Satoshi Horiuchi,4 Toko Igarashi,5 Yoshiya Kawanori,4 Yoshiyuki Hirano,1,3 Hirooki Yabe,2 Akiko Nakagawa1,3 1Research Center for Child Mental Development, Chiba University, Chiba, 2Department of Neuropsychiatry, Fukushima Medical University, Fukushima, 3United Graduate School of Child Development, Osaka University, Kanazawa University, Hamamatsu University School of Medicine, Chiba University and University of Fukui, Osaka, 4Faculty of Social Welfare, Iwate Prefectural University, Iwate, 5Graduate School of Education, Joetsu University of Education, Niigata, Japan Background: The Hoarding Rating Scale-Self-Report (HRS-SR is a five-item scale that assesses the symptoms of hoarding. These symptoms include excessive acquisition, difficulty in discarding, and excessive clutter that causes distress. We conducted three studies to examine the factor structure, reliability, and validity of the Japanese version of the HRS-SR (HRS-SR-J. Methods: Study 1 examined its reliability; 193 college students and 320 adolescents and adults completed the HRS-SR-J and, of the college students, 32 took it again 2 weeks later. Study 2 aimed to confirm that its scores in a sample of 210 adolescents and adults are independent of social desirability. Study 3 aimed to validate the HRS-SR-J in the aspects of convergent and discriminant validity in a sample of 550 adults. Results: The HRS-SR-J showed good internal consistency and 2-week test–retest reliability. Based on the nonsignificant correlations between the HRS-SR-J and social desirability, the HRS-SR-J was not strongly affected by social desirability. In addition, it also had a good convergent validity with the Japanese version of the Saving Inventory-Revised (SI-R-J and the hoarding subscale of the Obsessive-Compulsive Inventory, while having a significantly weaker correlation with the five subscales of the Obsessive-Compulsive Inventory, except for the hoarding subscale. In addition, the

  14. Complementary numerical–experimental benchmarking for shape optimization and validation of structures subjected to wave and current forces

    DEFF Research Database (Denmark)

    Markus, D.; Ferri, Francesco; Wüchner, R.

    2015-01-01

    A new benchmark problem is proposed and evaluated targeting fluid related shape optimization problems, motivated by design related ocean engineering tasks. The analyzed test geometry is a bottom mounted, polygonal structure in a channel flow. The aim of the study is to analyze the effect of shape...

  15. Validation of Accelerometer-Based Energy Expenditure Prediction Models in Structured and Simulated Free-Living Settings

    Science.gov (United States)

    Montoye, Alexander H. K.; Conger, Scott A.; Connolly, Christopher P.; Imboden, Mary T.; Nelson, M. Benjamin; Bock, Josh M.; Kaminsky, Leonard A.

    2017-01-01

    This study compared accuracy of energy expenditure (EE) prediction models from accelerometer data collected in structured and simulated free-living settings. Twenty-four adults (mean age 45.8 years, 50% female) performed two sessions of 11 to 21 activities, wearing four ActiGraph GT9X Link activity monitors (right hip, ankle, both wrists) and a…

  16. Validity Generalization of the WISC-R Factor Structure with 10 1/2-Year-Old Children.

    Science.gov (United States)

    Shiek, David A.; Miller, John E.

    1978-01-01

    Investigated robustness of the Wechsler Intelligence Scale for Children-Revised (WISC-R) factor structure. Comparisons of the loadings obtained with generalization sample and 10 1/2-year-old national standardization sample suggest high degree of similarity in composition, magnitude, and pattern. Findings highly support robustness of WISC-R's…

  17. Validation of the Factor Structure of the Positive Life Assets Scale for High School Students in Thailand

    Science.gov (United States)

    Tripathi, Suriyadeo

    2018-01-01

    The aim of the present study was to determine the factor structure of the Positive Life Assets Scale (PLAS), a new measure to identify both internal and external life assets among high school students in Thailand, and to further examine the usefulness of the PLAS for a comprehensive, developmental, and strengths-based school and community…

  18. Detection of Q-Matrix Misspecification Using Two Criteria for Validation of Cognitive Structures under the Least Squares Distance Model

    Science.gov (United States)

    Romero, Sonia J.; Ordoñez, Xavier G.; Ponsoda, Vincente; Revuelta, Javier

    2014-01-01

    Cognitive Diagnostic Models (CDMs) aim to provide information about the degree to which individuals have mastered specific attributes that underlie the success of these individuals on test items. The Q-matrix is a key element in the application of CDMs, because contains links item-attributes representing the cognitive structure proposed for solve…

  19. A validation of the Experiences in Close Relationships-Relationship Structures scale (ECR-RS) in adolescents

    DEFF Research Database (Denmark)

    Donbaek, Dagmar Feddern; Elklit, Ask

    2014-01-01

    structures in adults and, hence, moves beyond the traditional focus on romantic relationships. The present article explored the psychometric abilities of the ECR-RS across parental and best friend domains in a sample of 15 to 18-year-olds (n = 1999). Two oblique factors were revealed across domains...

  20. Reliability, factor structure, and validity of the German version of the Trauma Symptom Checklist for Children in a sample of adolescents

    Science.gov (United States)

    Matulis, Simone; Loos, Laura; Langguth, Nadine; Schreiber, Franziska; Gutermann, Jana; Gawrilow, Caterina; Steil, Regina

    2015-01-01

    Background The Trauma Symptom Checklist for Children (TSC-C) is the most widely used self-report scale to assess trauma-related symptoms in children and adolescents on six clinical scales. The purpose of the present study was to develop a German version of the TSC-C and to investigate its psychometric properties, such as factor structure, reliability, and validity, in a sample of German adolescents. Method A normative sample of N=583 and a clinical sample of N=41 adolescents with a history of physical or sexual abuse aged between 13 and 21 years participated in the study. Results The Confirmatory Factor Analysis on the six-factor model (anger, anxiety, depression, dissociation, posttraumatic stress, and sexual concerns with the subdimensions preoccupation and distress) revealed acceptable to good fit statistics in the normative sample. One item had to be excluded from the German version of the TSC-C because the factor loading was too low. All clinical scales presented acceptable to good reliability, with Cronbach's α's ranging from .80 to .86 in the normative sample and from .72 to .87 in the clinical sample. Concurrent validity was also demonstrated by the high correlations between the TSC-C scales and instruments measuring similar psychopathology. TSC-C scores reliably differentiated between adolescents with trauma history and those without trauma history, indicating discriminative validity. Conclusions In conclusion, the German version of the TSC-C is a reliable and valid instrument for assessing trauma-related symptoms on six different scales in adolescents aged between 13 and 21 years. PMID:26498182

  1. The Eating Disorder Assessment for DSM-5 (EDA-5): Development and Validation of a Structured Interview for Feeding and Eating Disorders

    Science.gov (United States)

    Sysko, Robyn; Glasofer, Deborah R.; Hildebrandt, Tom; Klimek, Patrycja; Mitchell, James E.; Berg, Kelly C.; Peterson, Carol B.; Wonderlich, Stephen A.; Walsh, B. Timothy

    2016-01-01

    Objective Existing measures for DSM-IV eating disorder diagnoses have notable limitations, and there are important differences between DSM-IV and DSM-5 feeding and eating disorders. This study developed and validated a new semi-structured interview, the Eating Disorders Assessment for DSM-5 (EDA-5). Method Two studies evaluated the utility of the EDA-5. Study 1 compared the diagnostic validity of the EDA-5 to the Eating Disorder Examination (EDE) and evaluated the test-retest reliability of the new measure. Study 2 compared the diagnostic validity of an EDA-5 electronic application (“app”) to clinician interview and self-report assessments. Results In Study 1, the kappa for EDE and EDA-5 eating disorder diagnoses was 0.74 across all diagnoses (n= 64), with a range of κ=0.65 for Other Specified Feeding or Eating Disorder (OSFED)/Unspecified Feeding or Eating Disorder (USFED) to κ=0.90 for Binge Eating Disorder (BED). The EDA-5 test-retest kappa coefficient was 0.87 across diagnoses. For Study 2, clinical interview versus “app” conditions revealed a kappa of 0.83 for all eating disorder diagnoses (n=71). Across individual diagnostic categories, kappas ranged from 0.56 for OSFED/USFED to 0.94 for BN. Discussion High rates of agreement were found between diagnoses by EDA-5 and the EDE, and EDA-5 and clinical interviews. As this study supports the validity of the EDA-5 to generate DSM-5 eating disorders and the reliability of these diagnoses, the EDA-5 may be an option for the assessment of Anorexia Nervosa, Bulimia Nervosa, and BED. Additional research is needed to evaluate the utility of the EDA-5 in assessing DSM-5 feeding disorders. PMID:25639562

  2. Postpartum Bonding Disorder: Factor Structure, Validity, Reliability and a Model Comparison of the Postnatal Bonding Questionnaire in Japanese Mothers of Infants

    Directory of Open Access Journals (Sweden)

    Yukiko Ohashi

    2016-08-01

    Full Text Available Negative attitudes of mothers towards their infant is conceptualized as postpartum bonding disorder, which leads to serious health problems in perinatal health care. However, its measurement still remains to be standardized. Our aim was to examine and confirm the psychometric properties of the Postnatal Bonding Questionnaire (PBQ in Japanese mothers. We distributed a set of questionnaires to community mothers and studied 392 mothers who returned the questionnaires at 1 month after childbirth. Our model was compared with three other models derived from previous studies. In a randomly halved sample, an exploratory factor analysis yielded a three-factor structure: Anger and Restrictedness, Lack of Affection, and Rejection and Fear. This factor structure was cross-validated by a confirmatory factor analysis using the other halved sample. The three subscales showed satisfactory internal consistency. The three PBQ subscale scores were correlated with depression and psychological abuse scores. Their test–retest reliability between day 5 and 1 month after childbirth was measured by intraclass correlation coefficients between 0.76 and 0.83. The Akaike Information Criteria of our model was better than the original four-factor model of Brockington. The present study indicates that the PBQ is a reliable and valid measure of bonding difficulties of Japanese mothers with neonates.

  3. Evolution of Precipitation Structure During the November DYNAMO MJO Event: Cloud-Resolving Model Intercomparison and Cross Validation Using Radar Observations

    Science.gov (United States)

    Li, Xiaowen; Janiga, Matthew A.; Wang, Shuguang; Tao, Wei-Kuo; Rowe, Angela; Xu, Weixin; Liu, Chuntao; Matsui, Toshihisa; Zhang, Chidong

    2018-04-01

    Evolution of precipitation structures are simulated and compared with radar observations for the November Madden-Julian Oscillation (MJO) event during the DYNAmics of the MJO (DYNAMO) field campaign. Three ground-based, ship-borne, and spaceborne precipitation radars and three cloud-resolving models (CRMs) driven by observed large-scale forcing are used to study precipitation structures at different locations over the central equatorial Indian Ocean. Convective strength is represented by 0-dBZ echo-top heights, and convective organization by contiguous 17-dBZ areas. The multi-radar and multi-model framework allows for more stringent model validations. The emphasis is on testing models' ability to simulate subtle differences observed at different radar sites when the MJO event passed through. The results show that CRMs forced by site-specific large-scale forcing can reproduce not only common features in cloud populations but also subtle variations observed by different radars. The comparisons also revealed common deficiencies in CRM simulations where they underestimate radar echo-top heights for the strongest convection within large, organized precipitation features. Cross validations with multiple radars and models also enable quantitative comparisons in CRM sensitivity studies using different large-scale forcing, microphysical schemes and parameters, resolutions, and domain sizes. In terms of radar echo-top height temporal variations, many model sensitivity tests have better correlations than radar/model comparisons, indicating robustness in model performance on this aspect. It is further shown that well-validated model simulations could be used to constrain uncertainties in observed echo-top heights when the low-resolution surveillance scanning strategy is used.

  4. Structure-independent cross-validation between residual dipolar couplings originating from internal and external orienting media

    International Nuclear Information System (INIS)

    Barbieri, Renato; Bertini, Ivano; Lee, Yong-Min; Luchinat, Claudio; Velders, Aldrik H.

    2002-01-01

    Lanthanide-substituted calcium binding proteins are known to partially orient in high magnetic fields. Orientation provides residual dipolar couplings (rdc's). Two of these systems, Tm 3+ - and Dy 3+ -substituted calbindin D 9k , dissolved in an external orienting medium (nonionic liquid crystalline phase) provide rdc values which are the sum of those induced by the lanthanides and by the liquid crystalline phase on the native calcium binding protein. This structure-independent check shows the innocence of the orienting medium with respect to the structure of the protein in solution. Furthermore, the simultaneous use of lanthanide substitution and external orienting media provides a further effective tool to control and tune the orientation tensor

  5. Obsessive-compulsive inventory-revised: Factor structure, reliability, validity, and suicide risk screening characteristics among nigerian patients with schizophrenia

    Directory of Open Access Journals (Sweden)

    Tolulope Opakunle

    2018-01-01

    Full Text Available Objective: This study attempted to explore the feasibility of use of the 18-item Obsessive-Compulsive Inventory-Revised (OCI-R as a subjective suicide risk assessment tool in a cross-sectional sample of Nigerian patients with schizophrenia. Materials and Methods: Two hundred and thirty-two outpatients with schizophrenia were recruited from the mental health clinic of a university teaching hospital in Southwestern Nigeria. They completed the OCI-R in addition to the Social and Occupational Functioning Assessment Scale, the Positive and Negative Syndrome Scale, and a sociodemographic and illness-related questionnaire. The patients were objectively interviewed with the Mini-International Neuropsychiatric Interview suicidality module items to assess their suicide risk. Results: The 18-item OCI-R demonstrated satisfactory sensitivity (0.900 and specificity (0.662 at a total cutoff score of 10 in relation to the identification of Nigerian patients with schizophrenia with significant suicide risk. At this cutoff score, the area under the receiver operating characteristic curve was 0.817 (95% confidence interval: 0.735–0.898, and positive predictive value (0.726 and negative predictive value (0.869 were also satisfactory. The OCI-R also demonstrated satisfactory internal consistency and construct validity. Conclusion: The OCI-R has demonstrated to be useful as a subjective suicide risk assessment tool among Nigerian schizophrenia patients.

  6. Obsessive-Compulsive Inventory-Revised: Factor Structure, Reliability, Validity, and Suicide Risk Screening Characteristics among Nigerian Patients with Schizophrenia

    Science.gov (United States)

    Opakunle, Tolulope; Aloba, Olutayo; Akinsulore, Adesanmi; Opakunle, Olubukola; Fatoye, Femi

    2018-01-01

    Objective: This study attempted to explore the feasibility of use of the 18-item Obsessive-Compulsive Inventory-Revised (OCI-R) as a subjective suicide risk assessment tool in a cross-sectional sample of Nigerian patients with schizophrenia. Materials and Methods: Two hundred and thirty-two outpatients with schizophrenia were recruited from the mental health clinic of a university teaching hospital in Southwestern Nigeria. They completed the OCI-R in addition to the Social and Occupational Functioning Assessment Scale, the Positive and Negative Syndrome Scale, and a sociodemographic and illness-related questionnaire. The patients were objectively interviewed with the Mini-International Neuropsychiatric Interview suicidality module items to assess their suicide risk. Results: The 18-item OCI-R demonstrated satisfactory sensitivity (0.900) and specificity (0.662) at a total cutoff score of 10 in relation to the identification of Nigerian patients with schizophrenia with significant suicide risk. At this cutoff score, the area under the receiver operating characteristic curve was 0.817 (95% confidence interval: 0.735–0.898), and positive predictive value (0.726) and negative predictive value (0.869) were also satisfactory. The OCI-R also demonstrated satisfactory internal consistency and construct validity. Conclusion: The OCI-R has demonstrated to be useful as a subjective suicide risk assessment tool among Nigerian schizophrenia patients.

  7. Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation.

    Science.gov (United States)

    Swart, Marcel; Rösler, Ernst; Bickelhaupt, F Matthias

    2006-10-01

    We have carried out an extensive exploration of the gas-phase basicity of archetypal neutral bases across the periodic system using the generalized gradient approximation (GGA) of the density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing proton affinities and related thermochemical quantities: BP86/QZ4P//BP86/TZ2P is shown to yield a mean absolute deviation of 2.0 kcal/mol for the proton affinity at 298 K with respect to experiment, and 1.2 kcal/mol with high-level ab initio benchmark data. The main purpose of this work is to provide the proton affinities (and corresponding entropies) at 298 K of the neutral bases constituted by all maingroup-element hydrides of groups 15-17 and the noble gases, that is, group 18, and periods 1-6. We have also studied the effect of step-wise methylation of the protophilic center of the second- and third-period bases. Copyright 2006 Wiley Periodicals, Inc.

  8. Proton Affinities of Anionic Bases:  Trends Across the Periodic Table, Structural Effects, and DFT Validation.

    Science.gov (United States)

    Swart, Marcel; Bickelhaupt, F Matthias

    2006-03-01

    We have carried out an extensive exploration of the gas-phase basicity of archetypal anionic bases across the periodic system using the generalized gradient approximation of density functional theory (DFT) at BP86/QZ4P//BP86/TZ2P. First, we validate DFT as a reliable tool for computing proton affinities and related thermochemical quantities:  BP86/QZ4P//BP86/TZ2P is shown to yield a mean absolute deviation of 1.6 kcal/mol for the proton affinity at 0 K with respect to high-level ab initio benchmark data. The main purpose of this work is to provide the proton affinities (and corresponding entropies) at 298 K of the anionic conjugate bases of all main-group-element hydrides of groups 14-17 and periods 2-6. We have also studied the effect of stepwise methylation of the protophilic center of the second- and third-period bases.

  9. Explicating Validity

    Science.gov (United States)

    Kane, Michael T.

    2016-01-01

    How we choose to use a term depends on what we want to do with it. If "validity" is to be used to support a score interpretation, validation would require an analysis of the plausibility of that interpretation. If validity is to be used to support score uses, validation would require an analysis of the appropriateness of the proposed…

  10. A general psychopathology factor (P factor) in children: Structural model analysis and external validation through familial risk and child global executive function.

    Science.gov (United States)

    Martel, Michelle M; Pan, Pedro M; Hoffmann, Maurício S; Gadelha, Ary; do Rosário, Maria C; Mari, Jair J; Manfro, Gisele G; Miguel, Eurípedes C; Paus, Tomás; Bressan, Rodrigo A; Rohde, Luis A; Salum, Giovanni A

    2017-01-01

    High rates of comorbidities and poor validity of disorder diagnostic criteria for mental disorders hamper advances in mental health research. Recent work has suggested the utility of continuous cross-cutting dimensions, including general psychopathology and specific factors of externalizing and internalizing (e.g., distress and fear) syndromes. The current study evaluated the reliability of competing structural models of psychopathology and examined external validity of the best fitting model on the basis of family risk and child global executive function (EF). A community sample of 8,012 families from Brazil with children ages 6-12 years completed structured interviews about the child and parental psychiatric syndromes, and a subsample of 2,395 children completed tasks assessing EF (i.e., working memory, inhibitory control, and time processing). Confirmatory factor analyses tested a series of structural models of psychopathology in both parents and children. The model with a general psychopathology factor ("P factor") with 3 specific factors (fear, distress, and externalizing) exhibited the best fit. The general P factor accounted for most of the variance in all models, with little residual variance explained by each of the 3 specific factors. In addition, associations between child and parental factors were mainly significant for the P factors and nonsignificant for the specific factors from the respective models. Likewise, the child P factor-but not the specific factors-was significantly associated with global child EF. Overall, our results provide support for a latent overarching P factor characterizing child psychopathology, supported by familial associations and child EF. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  11. Factor Structure and Validity of the Body Parts Satisfaction Scale: Results from the 1972 Psychology Today Survey

    Directory of Open Access Journals (Sweden)

    David Frederick

    2014-07-01

    Full Text Available In 1972, the first major national study on body image was conducted under the auspices of Psychology Today. Body image was assessed with the Body Parts Satisfaction Scale, which examined the dissatisfaction people experienced with 24 aspects of their bodies. Despite the continued reliance on this scale and reference to the study, data on the factor structure of this measure in a sample of adults have never been published, and citations of the original scale have relied on an unpublished manuscript (Bohrnstedt, 1977. An exploratory factor analysis conducted on 2,013 adults revealed factors for men (Face, Sex Organ, Height, Lower Body, Mid Torso, Upper Torso, Height and women (Face, Sex Organ, Height, Lower Torso, Mid Torso, Extremities, Breast. The factors were weakly to moderately intercorrelated, suggesting the scale can be analyzed by items, by subscales, or by total score. People who reported more dissatisfaction with their body also tended to report lower self-esteem and less comfort interacting with members of the other sex. The analyses provide a useful comparison point for researchers looking to examine gender differences in dissatisfaction with specific aspects of the body, as well as the factor structures linking these items.

  12. Experimental validation of a newly designed 6 degrees of freedom scanning laser head: Application to three-dimensional beam structure

    International Nuclear Information System (INIS)

    Di Maio, D.; Copertaro, E.

    2013-01-01

    A new scanning laser head is designed to use single Laser Doppler Vibrometer (LDV) for performing measurements up to 6 degrees of freedom (DOF) at a target. The scanning head is supported by a rotating hollow shaft, which allows the laser beam to travel up to the scanning head from an opposite direction where an LDV is set up. The scanning head is made of a set of two mirrors, which deflects the laser beam with an angle so that the rotation of the scanning head produces a conical scan. When measurements are performed at the focal point of the conical scan then three translational vibration components can be measured, otherwise the very small circle scan, before and after the focal point, can measure up to 6 degrees of freedom, including three translations and three rotations. This paper presents the 6DOF scanning head and the measurements of 3D operational deflection shapes of a test structure

  13. Numerical modeling and experimental validation of the acoustic transmission of aircraft's double-wall structures including sound package

    Science.gov (United States)

    Rhazi, Dilal

    In the field of aeronautics, reducing the harmful effects of acoustics constitutes a major concern at the international level and justifies the call for further research, particularly in Canada where aeronautics is a key economic sector, which operates in a context of global competition. Aircraft sidewall structure is usually of a double wall construction with a curved ribbed metallic skin and a lightweight composite or sandwich trim separated by a cavity filled with a noise control treatment. The latter is of a great importance in the transport industry, and continues to be of interest in many engineering applications. However, the insertion loss noise control treatment depends on the excitation of the supporting structure. In particular, Turbulent Boundary Layer is of interest to several industries. This excitation is difficult to simulate in laboratory conditions, given the prohibiting costs and difficulties associated with wind tunnel and in-flight tests. Numerical simulation is the only practical way to predict the response to such excitations and to analyze effects of design changes to the response to such excitation. Another kinds of excitations encountered in industrial are monopole, rain on the Roof and diffuse acoustic field. Deterministic methods can calculate in each point the spectral response of the system. Most known are numerical methods such as finite elements and boundary elements methods. These methods generally apply to the low frequency where modal behavior of the structure dominates. However, the high limit of calculation in frequency of these methods cannot be defined in a strict way because it is related to the capacity of data processing and to the nature of the studied mechanical system. With these challenges in mind, and with limitations of the main numerical codes on the market, the manufacturers have expressed the need for simple models immediately available as early as the stage of preliminary drafts. This thesis represents an attempt

  14. Development, validation and application of a fixed district heating model structure that requires small amounts of input data

    International Nuclear Information System (INIS)

    Aberg, Magnus; Widén, Joakim

    2013-01-01

    Highlights: • A fixed model structure for cost-optimisaton studies of DH systems is developed. • A method for approximating heat demands using outdoor temperature data is developed. • Six different Swedish district heating systems are modelled and studied. • The impact of heat demand change on heat and electricity production is examined. • Reduced heat demand leads to less use of fossil fuels and biomass in the modelled systems. - Abstract: Reducing the energy use of buildings is an important part in reaching the European energy efficiency targets. Consequently, local energy systems need to adapt to a lower demand for heating. A 90% of Swedish multi-family residential buildings use district heating (DH) produced in Sweden’s over 400 DH systems, which use different heat production technologies and fuels. DH system modelling results obtained until now are mostly for particular DH systems and cannot be easily generalised. Here, a fixed model structure (FMS) based on linear programming for cost-optimisaton studies of DH systems is developed requiring only general DH system information. A method for approximating heat demands based on local outdoor temperature data is also developed. A scenario is studied where the FMS is applied to six Swedish DH systems and heat demands are reduced due to energy efficiency improvements in buildings. The results show that the FMS is a useful tool for DH system optimisation studies and that building energy efficiency improvements lead to reduced use of fossil fuels and biomass in DH systems. Also, the share of CHP in the production mix is increased in five of the six DH systems when the heat demand is reduced

  15. Validation and extraction of molecular-geometry information from small-molecule databases.

    Science.gov (United States)

    Long, Fei; Nicholls, Robert A; Emsley, Paul; Graǽulis, Saulius; Merkys, Andrius; Vaitkus, Antanas; Murshudov, Garib N

    2017-02-01

    A freely available small-molecule structure database, the Crystallography Open Database (COD), is used for the extraction of molecular-geometry information on small-molecule compounds. The results are used for the generation of new ligand descriptions, which are subsequently used by macromolecular model-building and structure-refinement software. To increase the reliability of the derived data, and therefore the new ligand descriptions, the entries from this database were subjected to very strict validation. The selection criteria made sure that the crystal structures used to derive atom types, bond and angle classes are of sufficiently high quality. Any suspicious entries at a crystal or molecular level were removed from further consideration. The selection criteria included (i) the resolution of the data used for refinement (entries solved at 0.84 Å resolution or higher) and (ii) the structure-solution method (structures must be from a single-crystal experiment and all atoms of generated molecules must have full occupancies), as well as basic sanity checks such as (iii) consistency between the valences and the number of connections between atoms, (iv) acceptable bond-length deviations from the expected values and (v) detection of atomic collisions. The derived atom types and bond classes were then validated using high-order moment-based statistical techniques. The results of the statistical analyses were fed back to fine-tune the atom typing. The developed procedure was repeated four times, resulting in fine-grained atom typing, bond and angle classes. The procedure will be repeated in the future as and when new entries are deposited in the COD. The whole procedure can also be applied to any source of small-molecule structures, including the Cambridge Structural Database and the ZINC database.

  16. Standardization of the Korean version of Mini-Mental Adjustment to Cancer (K-Mini-MAC) scale: factor structure, reliability and validity.

    Science.gov (United States)

    Kang, Jee In; Chung, Hyun Cheol; Kim, Se Joo; Choi, Hye Jin; Ahn, Joong Bae; Jeung, Hei-Cheul; Namkoong, Kee

    2008-06-01

    Mental adjustment and coping affect the physical outcome and survival as well as quality of life in cancer patients. The Mini-Mental Adjustment to Cancer (Mini-MAC) scale is a new refined, economical and reliable self-rating instrument measuring cognitive and behavioral responses to cancer. The aim of this study was to evaluate the psychometric properties of the Mini-MAC in Korean cancer patients. A total of 208 cancer patients recruited from the Yonsei Cancer Center were assessed with the Mini-MAC and the Hospital Anxiety and Depression Scale (HADS). Principal component analysis with varimax rotation for the Korean version of Mini-MAC (K-Mini-MAC) confirmed four factors. Three had psychometric properties similar to Helpless-Hopeless (HH), Anxious Preoccupation (AP) and Cognitive Avoidance (CA) of the original Mini-MAC. A novel factor, named Positive Attitude, included items of both Fatalism (FA) and Fighting Spirit (FS) from the original version. The five subscales from the original version (AP, HH, FS, FA and CA) and Positive Attitude had acceptable internal reliabilities in our sample (Cronbach's alpha coefficient 0.50-0.86; correlation coefficient of test-retest 0.68-0.88). For the validity, significant interscale correlation was observed in the original five subscales and Positive Attitude. Each subscale including Positive Attitude was also significantly related to Depression and Anxiety of HADS. As a whole, the K-Mini-MAC was a reliable, valid and acceptable tool for Korean cancer patients. These findings can provide information about the cross-cultural validity of Mini-MAC scale's factor structure. Cultural differences were also discussed.

  17. The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

    Science.gov (United States)

    Obeidat, Abdalla; Abu-Ghazleh, Hind

    2018-06-01

    Two intermolecular potential models of methanol (TraPPE-UA and OPLS-AA) have been used in order to examine their validity in reproducing the selected structural, dynamical, and thermodynamic properties in the unary and binary systems. These two models are combined with two water models (SPC/E and TIP4P). The temperature dependence of density, surface tension, diffusion and structural properties for the unary system has been computed over specific range of temperatures (200-300K). The very good performance of the TraPPE-UA potential model in predicting surface tension, diffusion, structure, and density of the unary system led us to examine its accuracy and performance in its aqueous solution. In the binary system the same properties were examined, using different mole fractions of methanol. The TraPPE-UA model combined with TIP4P-water shows a very good agreement with the experimental results for density and surface tension properties; whereas the OPLS-AA combined with SPCE-water shows a very agreement with experimental results regarding the diffusion coefficients. Two different approaches have been used in calculating the diffusion coefficient in the mixture, namely the Einstein equation (EE) and Green-Kubo (GK) method. Our results show the advantageous of applying GK over EE in reproducing the experimental results and in saving computer time.

  18. The French Version of the Screen for Child Anxiety Related Emotional Disorders-Revised (Scared-R: Factor Structure, Convergent and Divergent Validity in a Sample of Teenagers

    Directory of Open Access Journals (Sweden)

    Martine Bouvard

    2013-06-01

    Full Text Available The principal objective of this study is to provide data on the French version of the SCARED-R. This article investigates the factor structure of the French version of the Screen for Child Anxiety Related Emotional Disorders-Revised (SCARED-R and its convergent and divergent validity. 704 normal adolescents aged 10 to 19 years completed the questionnaires in their classrooms. A sub-sample of 595 adolescents also completed an anxiety questionnaire (the French version of the Fear Survey Schedule for Children-Revised, FSSC-R and a depression questionnaire (the French version of the Center for Epidemiological Studies Depression Scale, CES-D. Confirmatory factor analysis of the SCARED-R suggested reasonable fit for the 9-factor model. The comparison of the convergent and divergent validity revealed that the SCARED-R total score and five SCARED-R subscales (SAD, Social Phobia and the three Specific Phobias correlated more strongly with anxiety than depression. The other SCARED-R subscales (GAD, Panic Disorder, OCD and PTSD are positively related to levels of anxiety and depression. Altogether, the French version of the SCARED-R showed reasonable psychometric properties.

  19. The validity and internal structure of the Bipolar Depression Rating Scale: data from a clinical trial of N-acetylcysteine as adjunctive therapy in bipolar disorder.

    Science.gov (United States)

    Berk, Michael; Dodd, Seetal; Dean, Olivia M; Kohlmann, Kristy; Berk, Lesley; Malhi, Gin S

    2010-10-01

    Berk M, Dodd S, Dean OM, Kohlmann K, Berk L, Malhi GS. The validity and internal structure of the Bipolar Depression Rating Scale: data from a clinical trial of N-acetylcysteine as adjunctive therapy in bipolar disorder. The phenomenology of unipolar and bipolar disorders differ in a number of ways, such as the presence of mixed states and atypical features. Conventional depression rating instruments are designed to capture the characteristics of unipolar depression and have limitations in capturing the breadth of bipolar disorder. The Bipolar Depression Rating Scale (BDRS) was administered together with the Montgomery Asberg Rating Scale (MADRS) and Young Mania Rating Scale (YMRS) in a double-blind randomised placebo-controlled clinical trial of N-acetyl cysteine for bipolar disorder (N = 75). A factor analysis showed a two-factor solution: depression and mixed symptom clusters. The BDRS has strong internal consistency (Cronbach's alpha = 0.917), the depression cluster showed robust correlation with the MADRS (r = 0.865) and the mixed subscale correlated with the YMRS (r = 0.750). The BDRS has good internal validity and inter-rater reliability and is sensitive to change in the context of a clinical trial.

  20. Minnesota Impulse Disorders Interview (MIDI): Validation of a structured diagnostic clinical interview for impulse control disorders in an enriched community sample.

    Science.gov (United States)

    Chamberlain, Samuel R; Grant, Jon E

    2018-05-08

    Disorders of impulsivity are common, functionally impairing, and highly relevant across different clinical and research settings. Few structured clinical interviews for the identification and diagnosis of impulse control disorders exist, and none have been validated in a community sample in terms of psychometric properties. The Minnesota Impulse control disorders Interview (MIDI v2.0) was administered to an enriched sample of 293 non-treatment seeking adults aged 18-35 years, recruited using media advertisements in two large US cities. In addition to the MIDI, participants undertook extended clinical interview for other mental disorders, the Barratt impulsiveness questionnaire, and the Padua obsessive-compulsive inventory. The psychometric properties of the MIDI were characterized. In logistic regression, the MIDI showed good concurrent validity against the reference measures (versus gambling disorder interview, p  0.05). Test re-test reliability was excellent (0.95). The MIDI has good psychometric properties and thus may be a valuable interview tool for clinical and research studies involving impulse control disorders. Further research is needed to better understanding the optimal diagnostic classification and neurobiology of these neglected disorders. Crown Copyright © 2018. Published by Elsevier B.V. All rights reserved.

  1. Validation of the CQUAD4 element for vibration and shock analysis of thin laminated composite plate structure

    Science.gov (United States)

    Lesar, Douglas E.

    1992-01-01

    The performance of the NASTRAN CQUAD4 membrane and plate element in the analysis of undamped natural vibration modes of thin fiber reinforced composite plates was evaluated. The element provides natural frequency estimates that are comparable in accuracy to alternative formulations, and, in most cases, deviate by less than 10 percent from experimentally measured frequencies. The predictions lie within roughly equal accuracy bounds for the two material types treated (GFRP and CFRP), and for the ply layups considered (unidirectional, cross-ply, and angle-ply). Effective elastic lamina moduli had to be adjusted for fiber volume fraction to attain this level of frequency. The lumped mass option provides more accurate frequencies than the consistent mass option. This evaluation concerned only plates with L/t ratios on the order of 100 to 150. Since the CQUAD4 utilizes first-order corrections for transverse laminate shear stiffness, the element should provide useful frequency estimates for plate-like structures with lower L/t. For plates with L/t below 20, consideration should be given to idealizing with 3-D solid elements. Based on the observation that natural frequencies and mode shapes are predicted with acceptable engineering accuracy, it is concluded that CQUAD4 should be a useful and accurate element for transient shock and steady state vibration analysis of naval ship

  2. Psychometric properties of the 25-item Work Limitations Questionnaire in Japan: factor structure, validity, and reliability in information and communication technology company employees.

    Science.gov (United States)

    Kono, Yuko; Matsushima, Eisuke; Uji, Masayo

    2014-02-01

    The 25-item Work Limitations Questionnaire (WLQ-25) measures presenteeism but has not been sufficiently validated in a Japanese population. A total of 451 employees from four information technology companies in Tokyo completed the WLQ-25 and questionnaires of other variables on two occasions, 2 weeks apart. The WLQ-25 yielded a two-factor structure: Cognitive Demand and Physical Demand. These subscales showed good internal consistency, and both were associated with adverse working conditions, greater perceived job strain, lower skill use, poorer workplace social support, and less satisfactory psychological adjustment. Intraclass correlation coefficients of the two WLQ-25 subscales between time 1 and time 2 were 0.78 and 0.55, respectively. This study suggests acceptable psychometric properties of the WLQ-25 in Japan.

  3. Structure, reliability, and validity of the revised child anxiety and depression scale (RCADS) in a multi-ethnic urban sample of Dutch children.

    Science.gov (United States)

    Kösters, Mia P; Chinapaw, Mai J M; Zwaanswijk, Marieke; van der Wal, Marcel F; Koot, Hans M

    2015-06-23

    Although anxiety and, to a lesser extent, depression are highly prevalent in children, these problems are, difficult to identify. The Revised Anxiety and Depression Scale (RCADS) assesses self-reported symptoms of anxiety and depression in youth. The present study examined the factor structure, internal consistency, short-term stability, and validity including sensitivity to change of the RCADS in a multi-ethnic urban sample of 3636 Dutch children aged 8 to 13 years old. Results indicate that the RCADS is a reliable and valid instrument. The original 6-factor structure was replicated to a fair extent in the present study (RMSEA = 0.048) and internal consistency was good (αs = 0.70-0.96). ICCs for short-term stability were 0.76 to 0.86. Girls and children who indicated wishing to participate in a program targeting anxiety and depression had higher RCADS scores. Sensitivity to change analyses showed that the RCADS can detect changes in anxiety and depression symptoms in children who participated in a preventive intervention. The study showed low agreement between teacher and self-reported internalizing problems, even for children scoring above the 90(th) percentile of the RCADS, indicating a high level of problems, emphasizing the need to also take child reports into account when screening for anxiety and depression in children. This study shows that the RCADS can yield reliable data on a diversity of anxiety disorders and depression in urban children aged 8-13 from very diverse ethnic backgrounds. Netherlands Trial Register: NTR2397 . Registered 30 June 2010.

  4. Creating space for citizenship: The impact of group structure on validating the voices of people with dementia.

    Science.gov (United States)

    Wiersma, Elaine C; O'Connor, Deborah L; Loiselle, Lisa; Hickman, Kathy; Heibein, Bill; Hounam, Brenda; Mann, Jim

    2016-05-01

    Recently, there has been increasing attention given to finding ways to help people diagnosed with dementia 'live well' with their condition. Frequently however, the attention has been placed on the family care partner as the foundation for creating a context that supports the person with dementia to live well. A recent participatory action research (PAR) study highlighted the importance of beginning to challenge some of the assumptions around how best to include family, especially within a context of supporting citizenship. Three advisory groups consisting of 20 people with dementia, 13 care partners, and three service providers, were set up in three locations across Canada to help develop a self-management program for people with dementia. The hubs met monthly for up to two years. One of the topics that emerged as extremely important to consider in the structuring of the program revolved around whether or not these groups should be segregated to include only people with dementia. A thematic analysis of these ongoing discussions coalesced around four inter-related themes: creating safe spaces; maintaining voice and being heard; managing the balancing act; and the importance of solidarity Underpinning these discussions was the fifth theme, recognition that 'one size doesn't fit all'. Overall an important finding was that the presence of family care-partners could have unintended consequences in relation to creating the space for active citizenship to occur in small groups of people with dementia although it could also offer some opportunities. The involvement of care partners in groups with people with dementia is clearly one that is complex without an obvious answer and dependent on a variety of factors to inform a solution, which can and should be questioned and revisited. © The Author(s) 2016.

  5. The Herdecke questionnaire on quality of life (HLQ: Validation of factorial structure and development of a short form within a naturopathy treated in-patient collective

    Directory of Open Access Journals (Sweden)

    Beer Andre-Michael

    2005-07-01

    Full Text Available Abstract Background Quality of life (QoL of patients has become a central evaluation parameter that also acts as an aid for decisions related to treatment strategies particularly for patients with chronic illnesses. In Germany, one of the newer instruments attempting to measure distinct QoL aspects is the "Herdecke Questionnaire for Quality of Life" (HLQ. In this study, we aimed to validate the HLQ with respect to its factorial structure, and to develop a short form. The validation has been carried out in relation to other questionnaires including the SF-36 Health Survey, the Mood-Scale Bf-S, the Giessen Physical Complaints Questionnaire GBB-24 and McGill's Pain Perception Scale SES. Methods Data for this study derived from a model project on the treatment of patients using naturopathy methods in Blankenstein Hospital, Hattingen. In total, 2,461 patients between the ages of 16 and 92 years (mean age: 58.0 ± 13.4 years were included in this study. Most of the patients (62% suffered from rheumatic diseases. Factorial validation of the HLQ, it's reliability and external consistency analysis and the development of a short form were carried out using the SPSS software. Results Structural analysis of the HLQ-items pointed to a 6-factor model. The internal consistency of both the long and the short version is excellent (Cronbach's α is 0.935 for the HLQ-L and 0.862 for the HLQ-S. The highest reliability in the HLQ-L was obtained for the "Initiative Power and Interest" scale, the lowest for the 2-item scales "Digestive Well-Being" and the "Physical Complaints". However, the scales found by factor analysis herein were only in part congruent with the original 5-scale model which was approved a multitrait analysis approach. The new instrument shows good correlations with several scales of other relevant QoL instruments. The scales "Initiative Power and Interest", "Social Interaction", "Mental Balance", "Motility", "Physical Complaints", "Digestive Well

  6. Variable friction device for structural control based on duo-servo vehicle brake: Modeling and experimental validation

    Science.gov (United States)

    Cao, Liang; Downey, Austin; Laflamme, Simon; Taylor, Douglas; Ricles, James

    2015-07-01

    Supplemental damping can be used as a cost-effective method to reduce structural vibrations. In particular, passive systems are now widely accepted and have numerous applications in the field. However, they are typically tuned to specific excitations and their performances are bandwidth-limited. A solution is to use semi-active devices, which have shown to be capable of substantially enhanced mitigation performance. The authors have recently proposed a new type of semi-active device, which consists of a variable friction mechanism based on a vehicle duo-servo drum brake, a mechanically robust and reliable technology. The theoretical performance of the proposed device has been previously demonstrated via numerical simulations. In this paper, we further the understanding of the device, termed Modified Friction Device (MFD) by fabricating a small scale prototype and characterizing its dynamic behavior. While the dynamics of friction is well understood for automotive braking technology, we investigate for the first time the dynamic behavior of this friction mechanism at low displacements and velocities, in both forward and backward directions, under various hydraulic pressures. A modified 3-stage dynamic model is introduced. A LuGre friction model is used to characterize the friction zone (Stage 1), and two pure stiffness regions to characterize the dynamics of the MFD once the rotation is reversed and the braking shoes are sticking to the drum (Stage 2) and the rapid build up of forces once the shoes are held by the anchor pin (Stage 3). The proposed model is identified experimentally by subjecting the prototype to harmonic excitations. It is found that the proposed model can be used to characterize the dynamics of the MFD, and that the largest fitting error arises at low velocity under low pressure input. The model is then verified by subjecting the MFD to two different earthquake excitations under different pressure inputs. The model is capable of tracking the

  7. Simple quasi-analytical holonomic homogenization model for the non-linear analysis of in-plane loaded masonry panels: Part 2, structural implementation and validation

    Science.gov (United States)

    Milani, G.; Bertolesi, E.

    2017-07-01

    The simple quasi analytical holonomic homogenization approach for the non-linear analysis of in-plane loaded masonry presented in Part 1 is here implemented at a structural leveland validated. For such implementation, a Rigid Body and Spring Mass model (RBSM) is adopted, relying into a numerical modelling constituted by rigid elements interconnected by homogenized inelastic normal and shear springs placed at the interfaces between adjoining elements. Such approach is also known as HRBSM. The inherit advantage is that it is not necessary to solve a homogenization problem at each load step in each Gauss point, and a direct implementation into a commercial software by means of an external user supplied subroutine is straightforward. In order to have an insight into the capabilities of the present approach to reasonably reproduce masonry behavior at a structural level, non-linear static analyses are conducted on a shear wall, for which experimental and numerical data are available in the technical literature. Quite accurate results are obtained with a very limited computational effort.

  8. THE PRENATAL PARENTAL REFLECTIVE FUNCTIONING QUESTIONNAIRE: EXPLORING FACTOR STRUCTURE AND CONSTRUCT VALIDITY OF A NEW MEASURE IN THE FINN BRAIN BIRTH COHORT PILOT STUDY.

    Science.gov (United States)

    Pajulo, Marjukka; Tolvanen, Mimmi; Karlsson, Linnea; Halme-Chowdhury, Elina; Öst, Camilla; Luyten, Patrick; Mayes, Linda; Karlsson, Hasse

    2015-01-01

    Parental reflective functioning (PRF) is the capacity to focus on experience and feelings in oneself and in the child. Individual differences in PRF reportedly affect child attachment and socioemotional development. In this study, we report work on developing a questionnaire to assess PRF during pregnancy (Prenatal Parental Reflective Functioning Questionnaire; P-PRFQ). The factor structure of the 33-item version of the P-PRFQ was explored using pilot study data from the Finn Brain Birth Cohort Study (n = 124 mothers, n = 82 fathers). Construct validity was assessed against the Pregnancy Interview (PI; A. Slade, L. Grunebaum, L. Huganir, & M. Reeves, 1987, 2002, 2011) in a subsample of 29 mothers from the same pilot sample. Exploratory and confirmatory factor analysis resulted in a 14-item P-PRFQ, with three factors which seem to capture relevant aspects of prenatal parental mentalization-F1: "Opacity of mental states," F2: "Reflecting on the fetus-child," and F3: "The dynamic nature of the mental states." Functioning of the factor structure was further tested in the large cohort with 600 mothers and 600 fathers. Correlations with the PI result were high, both regarding total and factor scores of the P-PRFQ. Cost-effective tools to assess key areas of early parenting are needed for both research and clinical purposes. The 14-item P-PRFQ seems to be an applicable and promising new tool for assessing very early parental mentalizing capacity. © 2015 Michigan Association for Infant Mental Health.

  9. Structural validity of a 16-item abridged version of the Cervantes Health-Related Quality of Life scale for menopause: the Cervantes Short-Form Scale.

    Science.gov (United States)

    Coronado, Pluvio J; Borrego, Rafael Sánchez; Palacios, Santiago; Ruiz, Miguel A; Rejas, Javier

    2015-03-01

    The Cervantes Scale is a specific health-related quality of life questionnaire that was originally developed in Spanish to be used in Spain for women through and beyond menopause. It contains 31 items and is time-consuming. The aim of this study was to produce an abridged version with the same dimensional structure and with similar psychometric properties. A representative sample of 516 postmenopausal women (mean [SD] age, 57 [4.31] y) seen in outpatient gynecology clinics and extracted from an observational cross-sectional study was used. Item analysis, internal consistency reliability, item-total and item-dimension correlations, and item correlation with the 12-item Medical Outcomes Study Short Form Health Survey Version 2.0 were studied. Dimensional and full-model confirmatory factor analyses were used to check structure stability. A threefold cross-validation method was used to obtain stable estimates by means of multigroup analysis. The scale was reduced to a 16-item version, the Cervantes Short-Form Scale, containing four main dimensions (Menopause and Health, Psychological, Sexuality, and Couple Relations), with the first dimension composed of three subdimensions (Vasomotor Symptoms, Health, and Aging). Goodness-of-fit statistics were better than those of the extended version (χ(2)/df = 2.493; adjusted goodness-of-fit index, 0.802; parsimony comparative fit index, 0.749; root mean standard error of approximation, 0.054). Internal consistency was good (Cronbach's α = 0.880). Correlations between the extended and the reduced dimensions were high and significant in all cases (P < 0.001; r values ranged from 0.90 for Sexuality to 0.969 for Vasomotor Symptoms). The Cervantes Scale can be reduced to a 16-item abridged version (Cervantes Short-Form Scale) that maintains the original dimensional structure and psychometric properties. At 51% of the original length, this version can be administered faster, making it especially suitable for routine medical practice.

  10. Antisocial Personality Disorder Subscale (Chinese Version) of the Structured Clinical Interview for the DSM-IV Axis II disorders: validation study in Cantonese-speaking Hong Kong Chinese.

    Science.gov (United States)

    Tang, D Y Y; Liu, A C Y; Leung, M H T; Siu, B W M

    2013-06-01

    OBJECTIVE. Antisocial personality disorder (ASPD) is a risk factor for violence and is associated with poor treatment response when it is a co-morbid condition with substance abuse. It is an under-recognised clinical entity in the local Hong Kong setting, for which there are only a few available Chinese-language diagnostic instruments. None has been tested for its psychometric properties in the Cantonese-speaking population in Hong Kong. This study therefore aimed to assess the reliability and validity of the Chinese version of the ASPD subscale of the Structured Clinical Interview for the DSM-IV Axis II Disorders (SCID-II) in Hong Kong Chinese. METHODS. This assessment tool was modified according to dialectal differences between Mainland China and Hong Kong. Inpatients in Castle Peak Hospital, Hong Kong, who were designated for priority follow-up based on their assessed propensity for violence and who fulfilled the inclusion criteria for the study, were recruited. To assess the level of agreement, best-estimate diagnosis made by a multidisciplinary team was compared with diagnostic status determined by the SCID-II ASPD subscale. The internal consistency, sensitivity, and specificity of the subscale were also calculated. RESULTS. The internal consistency of the subscale was acceptable at 0.79, whereas the test-retest reliability and inter-rater reliability showed an excellent and good agreement of 0.90 and 0.86, respectively. Best-estimate clinical diagnosis-SCID diagnosis agreement was acceptable at 0.76. The sensitivity, specificity, positive and negative predictive values were 0.91, 0.86, 0.83, and 0.93, respectively. CONCLUSION. The Chinese version of the SCID-II ASPD subscale is reliable and valid for diagnosing ASPD in a Cantonese-speaking clinical population.

  11. FACTAR validation

    International Nuclear Information System (INIS)

    Middleton, P.B.; Wadsworth, S.L.; Rock, R.C.; Sills, H.E.; Langman, V.J.

    1995-01-01

    A detailed strategy to validate fuel channel thermal mechanical behaviour codes for use of current power reactor safety analysis is presented. The strategy is derived from a validation process that has been recently adopted industry wide. Focus of the discussion is on the validation plan for a code, FACTAR, for application in assessing fuel channel integrity safety concerns during a large break loss of coolant accident (LOCA). (author)

  12. Validity and reliability of a structured-light 3D scanner and an ultrasound imaging system for measurements of facial skin thickness.

    Science.gov (United States)

    Lee, Kang-Woo; Kim, Sang-Hwan; Gil, Young-Chun; Hu, Kyung-Seok; Kim, Hee-Jin

    2017-10-01

    Three-dimensional (3 D)-scanning-based morphological studies of the face are commonly included in various clinical procedures. This study evaluated validity and reliability of a 3 D scanning system by comparing the ultrasound (US) imaging system versus the direct measurement of facial skin. The facial skin thickness at 19 landmarks was measured using the three different methods in 10 embalmed adult Korean cadavers. Skin thickness was first measured using the ultrasound device, then 3 D scanning of the facial skin surface was performed. After the skin on the left half of face was gently dissected, deviating slightly right of the midline, to separate it from the subcutaneous layer, and the harvested facial skin's thickness was measured directly using neck calipers. The dissected specimen was then scanned again, then the scanned images of undissected and dissected faces were superimposed using Morpheus Plastic Solution (version 3.0) software. Finally, the facial skin thickness was calculated from the superimposed images. The ICC value for the correlations between the 3 D scanning system and direct measurement showed excellent reliability (0.849, 95% confidence interval = 0.799-0.887). Bland-Altman analysis showed a good level of agreement between the 3 D scanning system and direct measurement (bias = 0.49 ± 0.49 mm, mean±SD). These results demonstrate that the 3 D scanning system precisely reflects structural changes before and after skin dissection. Therefore, an in-depth morphological study using this 3 D scanning system could provide depth data about the main anatomical structures of face, thereby providing crucial anatomical knowledge for utilization in various clinical applications. Clin. Anat. 30:878-886, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  13. The DUNDRUM Quartet: validation of structured professional judgement instruments DUNDRUM-3 assessment of programme completion and DUNDRUM-4 assessment of recovery in forensic mental health services

    Directory of Open Access Journals (Sweden)

    McDonnell Kim

    2011-07-01

    Full Text Available Abstract Background Moving a forensic mental health patient from one level of therapeutic security to a lower level or to the community is influenced by more than risk assessment and risk management. We set out to construct and validate structured professional judgement instruments for consistency and transparency in decision making Methods Two instruments were developed, the seven-item DUNDRUM-3 programme completion instrument and the six item DUNDRUM-4 recovery instrument. These were assessed for all 95 forensic patients at Ireland's only forensic mental health hospital. Results The two instruments had good internal consistency (Cronbach's alpha 0.911 and 0.887. Scores distinguished those allowed no leave or accompanied leave from those with unaccompanied leave (ANOVA F = 38.1 and 50.3 respectively, p Conclusions The DUNDRUM-3 programme completion items distinguished significantly between levels of therapeutic security while the DUNDRUM-4 recovery items consistently distinguished those given unaccompanied leave outside the hospital and those in the lowest levels of therapeutic security. This data forms the basis for a prospective study of outcomes now underway.

  14. The DUNDRUM Quartet: validation of structured professional judgement instruments DUNDRUM-3 assessment of programme completion and DUNDRUM-4 assessment of recovery in forensic mental health services.

    LENUS (Irish Health Repository)

    O'Dwyer, Sarah

    2011-07-03

    Abstract Background Moving a forensic mental health patient from one level of therapeutic security to a lower level or to the community is influenced by more than risk assessment and risk management. We set out to construct and validate structured professional judgement instruments for consistency and transparency in decision making Methods Two instruments were developed, the seven-item DUNDRUM-3 programme completion instrument and the six item DUNDRUM-4 recovery instrument. These were assessed for all 95 forensic patients at Ireland\\'s only forensic mental health hospital. Results The two instruments had good internal consistency (Cronbach\\'s alpha 0.911 and 0.887). Scores distinguished those allowed no leave or accompanied leave from those with unaccompanied leave (ANOVA F = 38.1 and 50.3 respectively, p < 0.001). Scores also distinguished those in acute\\/high security units from those in medium or in low secure\\/pre-discharge units. Each individual item distinguished these levels of need significantly. The DUNDRUM-3 and DUNDRUM-4 correlated moderately with measures of dynamic risk and with the CANFOR staff rated unmet need (Spearman r = 0.5, p < 0.001). Conclusions The DUNDRUM-3 programme completion items distinguished significantly between levels of therapeutic security while the DUNDRUM-4 recovery items consistently distinguished those given unaccompanied leave outside the hospital and those in the lowest levels of therapeutic security. This data forms the basis for a prospective study of outcomes now underway.

  15. Reliability and validity of the Turkish version of the Structured Clinical Interview for DSM-IV Dissociative Disorders (SCID-D): a preliminary study.

    Science.gov (United States)

    Kundakçi, Turgut; Sar, Vedat; Kiziltan, Emre; Yargiç, Ilhan L; Tutkun, Hamdi

    2014-01-01

    A total of 34 consecutive patients with dissociative identity disorder or dissociative disorder not otherwise specified were evaluated using the Turkish version of the Structured Clinical Interview for DSM-IV Dissociative Disorders (SCID-D). They were compared with a matched control group composed of 34 patients who had a nondissociative psychiatric disorder. Interrater reliability was evaluated by 3 clinicians who assessed videotaped interviews conducted with 5 dissociative and 5 nondissociative patients. All subjects who were previously diagnosed by clinicians as having a dissociative disorder were identified as positive, and all subjects who were previously diagnosed as not having a dissociative disorder were identified as negative. The scores of the main symptom clusters and the total score of the SCID-D differentiated dissociative patients from the nondissociative group. There were strong correlations between the SCID-D and the Dissociative Experiences Scale total and subscale scores. These results are promising for the validity and reliability of the Turkish version of the SCID-D. However, as the present study was conducted on a predominantly female sample with very severe dissociation, these findings should not be generalized to male patients, to dissociative disorders other than dissociative identity disorder, or to broader clinical or nonclinical populations.

  16. Investigation of V and V process for thermal fatigue issue in a sodium cooled fast reactor – Application of uncertainty quantification scheme in verification and validation with fluid-structure thermal interaction problem in T-junction piping system

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Masaaki, E-mail: tanaka.masaaki@jaea.go.jp

    2014-11-15

    Highlights: • Outline of numerical simulation code MUGTHES for fluid-structure thermal interaction was described. • The grid convergence index (GCI) method was applied according to the ASME V and V-20 guide. • Uncertainty of MUGTHES can be successfully quantified for thermal-hydraulic problems and unsteady heat conduction problems in the structure. • Validation for fluid-structure thermal interaction problem in a T-junction piping system was well conducted. - Abstract: Thermal fatigue caused by thermal mixing phenomena is one of the most important issues in design and safety assessment of fast breeder reactors. A numerical simulation code MUGTHES consisting of two calculation modules for unsteady thermal-hydraulics analysis and unsteady heat conduction analysis in structure has been developed to predict thermal mixing phenomena and to estimate thermal response of structure under the thermal interaction between fluid and structure fields. Although verification and validation (V and V) of MUGTHES has been required, actual procedure for uncertainty quantification is not fixed yet. In order to specify an actual procedure of V and V, uncertainty quantifications with the grid convergence index (GCI) estimation according to the existing guidelines were conducted in fundamental laminar flow problems for the thermal-hydraulics analysis module, and also uncertainty for the structure heat conduction analysis module and conjugate heat transfer model was quantified in comparison with the theoretical solutions of unsteady heat conduction problems. After the verification, MUGTHES was validated for a practical fluid-structure thermal interaction problem in T-junction piping system compared with measured results of velocity and temperatures of fluid and structure. Through the numerical simulations in the verification and validation, uncertainty of the code was successfully estimated and applicability of the code to the thermal fatigue issue was confirmed.

  17. Testing of the preliminary OMERACT validation criteria for a biomarker to be regarded as reflecting structural damage endpoints in rheumatoid arthritis clinical trials: the example of C-reactive protein

    NARCIS (Netherlands)

    Keeling, Stephanie O.; Landewe, Robert; van der Heijde, Desiree; Bathon, Joan; Boers, Maarten; Garnero, Patrick; Geusens, Piet; El-Gabalawy, Hani; Inman, Robert D.; Kraus, Virginia B.; Kvien, Tore K.; Mease, Philip J.; Ostergaard, Mikkel; Ritchlin, Chris; Syversen, Silje W.; Maksymowych, Walter P.

    2007-01-01

    A list of 14 criteria for guiding the validation of a soluble biomarker as reflecting structural damage endpoints in rheumatoid arthritis (RA) clinical trials was drafted by an international working group after a Delphi consensus exercise. C-reactive protein (CRP), a soluble biomarker extensively

  18. Predictive validity of measurements of clinical competence using the team objective structured bedside assessment (TOSBA): assessing the clinical competence of final year medical students.

    LENUS (Irish Health Repository)

    Meagher, Frances M

    2009-11-01

    The importance of valid and reliable assessment of student competence and performance is gaining increased recognition. Provision of valid patient-based formative assessment is an increasing challenge for clinical teachers in a busy hospital setting. A formative assessment tool that reliably predicts performance in the summative setting would be of value to both students and teachers.

  19. The Structured Interview & Scoring Tool-Massachusetts Alzheimer's Disease Research Center (SIST-M): development, reliability, and cross-sectional validation of a brief structured clinical dementia rating interview.

    Science.gov (United States)

    Okereke, Olivia I; Copeland, Maura; Hyman, Bradley T; Wanggaard, Taylor; Albert, Marilyn S; Blacker, Deborah

    2011-03-01

    The Clinical Dementia Rating (CDR) and CDR Sum-of-Boxes can be used to grade mild but clinically important cognitive symptoms of Alzheimer disease. However, sensitive clinical interview formats are lengthy. To develop a brief instrument for obtaining CDR scores and to assess its reliability and cross-sectional validity. Using legacy data from expanded interviews conducted among 347 community-dwelling older adults in a longitudinal study, we identified 60 questions (from a possible 131) about cognitive functioning in daily life using clinical judgment, inter-item correlations, and principal components analysis. Items were selected in 1 cohort (n=147), and a computer algorithm for generating CDR scores was developed in this same cohort and re-run in a replication cohort (n=200) to evaluate how well the 60 items retained information from the original 131 items. Short interviews based on the 60 items were then administered to 50 consecutively recruited older individuals, with no symptoms or mild cognitive symptoms, at an Alzheimer's Disease Research Center. Clinical Dementia Rating scores based on short interviews were compared with those from independent long interviews. In the replication cohort, agreement between short and long CDR interviews ranged from κ=0.65 to 0.79, with κ=0.76 for Memory, κ=0.77 for global CDR, and intraclass correlation coefficient for CDR Sum-of-Boxes=0.89. In the cross-sectional validation, short interview scores were slightly lower than those from long interviews, but good agreement was observed for global CDR and Memory (κ≥0.70) as well as for CDR Sum-of-Boxes (intraclass correlation coefficient=0.73). The Structured Interview & Scoring Tool-Massachusetts Alzheimer's Disease Research Center is a brief, reliable, and sensitive instrument for obtaining CDR scores in persons with symptoms along the spectrum of mild cognitive change.

  20. xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

    International Nuclear Information System (INIS)

    McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

    2014-01-01

    A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP

  1. xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

    Energy Technology Data Exchange (ETDEWEB)

    McGreevy, Ryan; Singharoy, Abhishek [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Li, Qufei [The University of Chicago, Chicago, IL 60637 (United States); Zhang, Jingfen; Xu, Dong [University of Missouri, Columbia, MO 65211 (United States); Perozo, Eduardo [The University of Chicago, Chicago, IL 60637 (United States); Schulten, Klaus, E-mail: kschulte@ks.uiuc.edu [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)

    2014-09-01

    A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

  2. High-resolution noise substitution to measure overfitting and validate resolution in 3D structure determination by single particle electron cryomicroscopy

    International Nuclear Information System (INIS)

    Chen, Shaoxia; McMullan, Greg; Faruqi, Abdul R.; Murshudov, Garib N.; Short, Judith M.; Scheres, Sjors H.W.; Henderson, Richard

    2013-01-01

    unbiased FSC from the two curves, even when a substantial amount of overfitting is present. The approach is software independent. The user is therefore completely free to use any established method or novel combination of methods, provided the HR-noise test is carried out in parallel. Applying this procedure to cryoEM images of beta-galactosidase shows how overfitting varies greatly depending on the procedure, but in the best case shows no overfitting and a resolution of ∼6 Å. (382 words) - Highlights: • A new method to validate 3D cryoEM maps of biological structures is described. • High-resolution noise substitution is a tool to measure the amount of overfitting of noise in single particle cryoEM. • A reliable, unbiased resolution estimation can be obtained even when some overfitting is present. • Structure of beta-galactosidase at ∼6 Å resolution is determined by cryoEM

  3. High-resolution noise substitution to measure overfitting and validate resolution in 3D structure determination by single particle electron cryomicroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shaoxia; McMullan, Greg; Faruqi, Abdul R.; Murshudov, Garib N.; Short, Judith M.; Scheres, Sjors H.W.; Henderson, Richard, E-mail: rh15@mrc-lmb.cam.ac.uk

    2013-12-15

    unbiased FSC from the two curves, even when a substantial amount of overfitting is present. The approach is software independent. The user is therefore completely free to use any established method or novel combination of methods, provided the HR-noise test is carried out in parallel. Applying this procedure to cryoEM images of beta-galactosidase shows how overfitting varies greatly depending on the procedure, but in the best case shows no overfitting and a resolution of ∼6 Å. (382 words) - Highlights: • A new method to validate 3D cryoEM maps of biological structures is described. • High-resolution noise substitution is a tool to measure the amount of overfitting of noise in single particle cryoEM. • A reliable, unbiased resolution estimation can be obtained even when some overfitting is present. • Structure of beta-galactosidase at ∼6 Å resolution is determined by cryoEM.

  4. Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

    International Nuclear Information System (INIS)

    Shi, Jade; Schwantes, Christian; Bilsel, Osman

    2017-01-01

    The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

  5. Validation philosophy

    International Nuclear Information System (INIS)

    Vornehm, D.

    1994-01-01

    To determine when a set of calculations falls within an umbrella of an existing validation documentation, it is necessary to generate a quantitative definition of range of applicability (our definition is only qualitative) for two reasons: (1) the current trend in our regulatory environment will soon make it impossible to support the legitimacy of a validation without quantitative guidelines; and (2) in my opinion, the lack of support by DOE for further critical experiment work is directly tied to our inability to draw a quantitative open-quotes line-in-the-sandclose quotes beyond which we will not use computer-generated values

  6. Structuralism.

    Science.gov (United States)

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always…

  7. Clinical Validation of Atlas-Based Auto-Segmentation of Multiple Target Volumes and Normal Tissue (Swallowing/Mastication) Structures in the Head and Neck

    International Nuclear Information System (INIS)

    Teguh, David N.; Levendag, Peter C.; Voet, Peter W.J.; Al-Mamgani, Abrahim; Han Xiao; Wolf, Theresa K.; Hibbard, Lyndon S.; Nowak, Peter; Akhiat, Hafid; Dirkx, Maarten L.P.; Heijmen, Ben J.M.; Hoogeman, Mischa S.

    2011-01-01

    Purpose: To validate and clinically evaluate autocontouring using atlas-based autosegmentation (ABAS) of computed tomography images. Methods and Materials: The data from 10 head-and-neck patients were selected as input for ABAS, and neck levels I-V and 20 organs at risk were manually contoured according to published guidelines. The total contouring times were recorded. Two different ABAS strategies, multiple and single subject, were evaluated, and the similarity of the autocontours with the atlas contours was assessed using Dice coefficients and the mean distances, using the leave-one-out method. For 12 clinically treated patients, 5 experienced observers edited the autosegmented contours. The editing times were recorded. The Dice coefficients and mean distances were calculated among the clinically used contours, autocontours, and edited autocontours. Finally, an expert panel scored all autocontours and the edited autocontours regarding their adequacy relative to the published atlas. Results: The time to autosegment all the structures using ABAS was 7 min/patient. No significant differences were observed in the autosegmentation accuracy for stage N0 and N+ patients. The multisubject atlas performed best, with a Dice coefficient and mean distance of 0.74 and 2 mm, 0.67 and 3 mm, 0.71 and 2 mm, 0.50 and 2 mm, and 0.78 and 2 mm for the salivary glands, neck levels, chewing muscles, swallowing muscles, and spinal cord-brainstem, respectively. The mean Dice coefficient and mean distance of the autocontours vs. the clinical contours was 0.8 and 2.4 mm for the neck levels and salivary glands, respectively. For the autocontours vs. the edited autocontours, the mean Dice coefficient and mean distance was 0.9 and 1.6 mm, respectively. The expert panel scored 100% of the autocontours as a “minor deviation, editable” or better. The expert panel scored 88% of the edited contours as good compared with 83% of the clinical contours. The total editing time was 66 min

  8. Clinical Validation of Atlas-Based Auto-Segmentation of Multiple Target Volumes and Normal Tissue (Swallowing/Mastication) Structures in the Head and Neck

    Energy Technology Data Exchange (ETDEWEB)

    Teguh, David N. [Department of Radiation Oncology, Erasmus Medical Center-Daniel den Hoed Cancer Center, Rotterdam (Netherlands); Levendag, Peter C., E-mail: p.levendag@erasmusmc.nl [Department of Radiation Oncology, Erasmus Medical Center-Daniel den Hoed Cancer Center, Rotterdam (Netherlands); Voet, Peter W.J.; Al-Mamgani, Abrahim [Department of Radiation Oncology, Erasmus Medical Center-Daniel den Hoed Cancer Center, Rotterdam (Netherlands); Han Xiao; Wolf, Theresa K.; Hibbard, Lyndon S. [Elekta-CMS Software, Maryland Heights, MO 63043 (United States); Nowak, Peter; Akhiat, Hafid; Dirkx, Maarten L.P.; Heijmen, Ben J.M.; Hoogeman, Mischa S. [Department of Radiation Oncology, Erasmus Medical Center-Daniel den Hoed Cancer Center, Rotterdam (Netherlands)

    2011-11-15

    Purpose: To validate and clinically evaluate autocontouring using atlas-based autosegmentation (ABAS) of computed tomography images. Methods and Materials: The data from 10 head-and-neck patients were selected as input for ABAS, and neck levels I-V and 20 organs at risk were manually contoured according to published guidelines. The total contouring times were recorded. Two different ABAS strategies, multiple and single subject, were evaluated, and the similarity of the autocontours with the atlas contours was assessed using Dice coefficients and the mean distances, using the leave-one-out method. For 12 clinically treated patients, 5 experienced observers edited the autosegmented contours. The editing times were recorded. The Dice coefficients and mean distances were calculated among the clinically used contours, autocontours, and edited autocontours. Finally, an expert panel scored all autocontours and the edited autocontours regarding their adequacy relative to the published atlas. Results: The time to autosegment all the structures using ABAS was 7 min/patient. No significant differences were observed in the autosegmentation accuracy for stage N0 and N+ patients. The multisubject atlas performed best, with a Dice coefficient and mean distance of 0.74 and 2 mm, 0.67 and 3 mm, 0.71 and 2 mm, 0.50 and 2 mm, and 0.78 and 2 mm for the salivary glands, neck levels, chewing muscles, swallowing muscles, and spinal cord-brainstem, respectively. The mean Dice coefficient and mean distance of the autocontours vs. the clinical contours was 0.8 and 2.4 mm for the neck levels and salivary glands, respectively. For the autocontours vs. the edited autocontours, the mean Dice coefficient and mean distance was 0.9 and 1.6 mm, respectively. The expert panel scored 100% of the autocontours as a 'minor deviation, editable' or better. The expert panel scored 88% of the edited contours as good compared with 83% of the clinical contours. The total editing time was 66 min

  9. The Expanded FindCore Method for Identification of a Core Atom Set for Assessment of Protein Structure Prediction

    Science.gov (United States)

    Snyder, David A.; Grullon, Jennifer; Huang, Yuanpeng J.; Tejero, Roberto; Montelione, Gaetano T.

    2014-01-01

    Maximizing the scientific impact of NMR-based structure determination requires robust and statistically sound methods for assessing the precision of NMR-derived structures. In particular, a method to define a core atom set for calculating superimpositions and validating structure predictions is critical to the use of NMR-derived structures as targets in the CASP competition. FindCore (D.A. Snyder and G.T. Montelione PROTEINS 2005;59:673–686) is a superimposition independent method for identifying a core atom set, and partitioning that set into domains. However, as FindCore optimizes superimposition by sensitively excluding not-well-defined atoms, the FindCore core may not comprise all atoms suitable for use in certain applications of NMR structures, including the CASP assessment process. Adapting the FindCore approach to assess predicted models against experimental NMR structures in CASP10 required modification of the FindCore method. This paper describes conventions and a standard protocol to calculate an “Expanded FindCore” atom set suitable for validation and application in biological and biophysical contexts. A key application of the Expanded FindCore method is to identify a core set of atoms in the experimental NMR structure for which it makes sense to validate predicted protein structure models. We demonstrate the application of this Expanded FindCore method in characterizing well-defined regions of 18 NMR-derived CASP10 target structures. The Expanded FindCore protocol defines “expanded core atom sets” that match an expert’s intuition of which parts of the structure are sufficiently well-defined to use in assessing CASP model predictions. We also illustrate the impact of this analysis on the CASP GDT assessment scores. PMID:24327305

  10. Miniaturized side-viewing imaging probe for fluorescence lifetime imaging (FLIM): validation with fluorescence dyes, tissue structural proteins and tissue specimens

    OpenAIRE

    Elson, DS; Jo, JA; Marcu, L

    2007-01-01

    We report a side viewing fibre-based endoscope that is compatible with intravascular imaging and fluorescence lifetime imaging microscopy (FLIM). The instrument has been validated through testing with fluorescent dyes and collagen and elastin powders using the Laguerre expansion deconvolution technique to calculate the fluorescence lifetimes. The instrument has also been tested on freshly excised unstained animal vascular tissues.

  11. Validity and validation of expert (Q)SAR systems.

    Science.gov (United States)

    Hulzebos, E; Sijm, D; Traas, T; Posthumus, R; Maslankiewicz, L

    2005-08-01

    At a recent workshop in Setubal (Portugal) principles were drafted to assess the suitability of (quantitative) structure-activity relationships ((Q)SARs) for assessing the hazards and risks of chemicals. In the present study we applied some of the Setubal principles to test the validity of three (Q)SAR expert systems and validate the results. These principles include a mechanistic basis, the availability of a training set and validation. ECOSAR, BIOWIN and DEREK for Windows have a mechanistic or empirical basis. ECOSAR has a training set for each QSAR. For half of the structural fragments the number of chemicals in the training set is >4. Based on structural fragments and log Kow, ECOSAR uses linear regression to predict ecotoxicity. Validating ECOSAR for three 'valid' classes results in predictivity of > or = 64%. BIOWIN uses (non-)linear regressions to predict the probability of biodegradability based on fragments and molecular weight. It has a large training set and predicts non-ready biodegradability well. DEREK for Windows predictions are supported by a mechanistic rationale and literature references. The structural alerts in this program have been developed with a training set of positive and negative toxicity data. However, to support the prediction only a limited number of chemicals in the training set is presented to the user. DEREK for Windows predicts effects by 'if-then' reasoning. The program predicts best for mutagenicity and carcinogenicity. Each structural fragment in ECOSAR and DEREK for Windows needs to be evaluated and validated separately.

  12. Validation of a performance model on entrepreneurship based on self-efficacy, personal goal orientation and environment goal orientation using Structural Equation Modeling

    OpenAIRE

    Figueroa Reyes, Rodrigo

    2013-01-01

    Master's thesis in International hotel and tourism management Three are the main contributions that I pretend to provide through this research. First, I will combine four theoretical constructs that, to my knowledge, have not been worked through this way before. I mean that this research is attempting to validate and estimate the existing relationships between Self-efficacy, Perceived Personal Goal Orientation, Perceived Environment Goal Orientation and Perceived Personal Performance. T...

  13. A probabilistic fragment-based protein structure prediction algorithm.

    Directory of Open Access Journals (Sweden)

    David Simoncini

    Full Text Available Conformational sampling is one of the bottlenecks in fragment-based protein structure prediction approaches. They generally start with a coarse-grained optimization where mainchain atoms and centroids of side chains are considered, followed by a fine-grained optimization with an all-atom representation of proteins. It is during this coarse-grained phase that fragment-based methods sample intensely the conformational space. If the native-like region is sampled more, the accuracy of the final all-atom predictions may be improved accordingly. In this work we present EdaFold, a new method for fragment-based protein structure prediction based on an Estimation of Distribution Algorithm. Fragment-based approaches build protein models by assembling short fragments from known protein structures. Whereas the probability mass functions over the fragment libraries are uniform in the usual case, we propose an algorithm that learns from previously generated decoys and steers the search toward native-like regions. A comparison with Rosetta AbInitio protocol shows that EdaFold is able to generate models with lower energies and to enhance the percentage of near-native coarse-grained decoys on a benchmark of [Formula: see text] proteins. The best coarse-grained models produced by both methods were refined into all-atom models and used in molecular replacement. All atom decoys produced out of EdaFold's decoy set reach high enough accuracy to solve the crystallographic phase problem by molecular replacement for some test proteins. EdaFold showed a higher success rate in molecular replacement when compared to Rosetta. Our study suggests that improving low resolution coarse-grained decoys allows computational methods to avoid subsequent sampling issues during all-atom refinement and to produce better all-atom models. EdaFold can be downloaded from http://www.riken.jp/zhangiru/software.html [corrected].

  14. Cross-validation of the factorial structure of the Neighborhood Environment Walkability Scale (NEWS and its abbreviated form (NEWS-A

    Directory of Open Access Journals (Sweden)

    Cerin Ester

    2009-06-01

    Full Text Available Abstract Background The Neighborhood Environment Walkability Scale (NEWS and its abbreviated form (NEWS-A assess perceived environmental attributes believed to influence physical activity. A multilevel confirmatory factor analysis (MCFA conducted on a sample from Seattle, WA showed that, at the respondent level, the factor-analyzable items of the NEWS and NEWS-A measured 11 and 10 constructs of perceived neighborhood environment, respectively. At the census blockgroup (used by the US Census Bureau as a subunit of census tracts level, the MCFA yielded five factors for both NEWS and NEWS-A. The aim of this study was to cross-validate the individual- and blockgroup-level measurement models of the NEWS and NEWS-A in a geographical location and population different from those used in the original validation study. Methods A sample of 912 adults was recruited from 16 selected neighborhoods (116 census blockgroups in the Baltimore, MD region. Neighborhoods were stratified according to their socio-economic status and transport-related walkability level measured using Geographic Information Systems. Participants self-completed the NEWS. MCFA was used to cross-validate the individual- and blockgroup-level measurement models of the NEWS and NEWS-A. Results The data provided sufficient support for the factorial validity of the original individual-level measurement models, which consisted of 11 (NEWS and 10 (NEWS-A correlated factors. The original blockgroup-level measurement model of the NEWS and NEWS-A showed poor fit to the data and required substantial modifications. These included the combining of aspects of building aesthetics with safety from crime into one factor; the separation of natural aesthetics and building aesthetics into two factors; and for the NEWS-A, the separation of presence of sidewalks/walking routes from other infrastructure for walking. Conclusion This study provided support for the generalizability of the individual

  15. The General Assessment of Personality Disorder (GAPD): factor structure, incremental validity of self-pathology, and relations to DSM-IV personality disorders.

    Science.gov (United States)

    Hentschel, Annett G; Livesley, W John

    2013-01-01

    Recent developments in the classification of personality disorder, especially moves toward more dimensional systems, create the need to assess general personality disorder apart from individual differences in personality pathology. The General Assessment of Personality Disorder (GAPD) is a self-report questionnaire designed to evaluate general personality disorder. The measure evaluates 2 major components of disordered personality: self or identity problems and interpersonal dysfunction. This study explores whether there is a single factor reflecting general personality pathology as proposed by the Diagnostic and Statistical Manual of Mental Disorders (5th ed.), whether self-pathology has incremental validity over interpersonal pathology as measured by GAPD, and whether GAPD scales relate significantly to Diagnostic and Statistical Manual of Mental Disorders (4th ed. [DSM-IV]) personality disorders. Based on responses from a German psychiatric sample of 149 participants, parallel analysis yielded a 1-factor model. Self Pathology scales of the GAPD increased the predictive validity of the Interpersonal Pathology scales of the GAPD. The GAPD scales showed a moderate to high correlation for 9 of 12 DSM-IV personality disorders.

  16. A Stability-Indicating HPLC-DAD Method for Determination of Stiripentol: Development, Validation, Kinetics, Structure Elucidation and Application to Commercial Dosage Form

    Directory of Open Access Journals (Sweden)

    Hany W. Darwish

    2014-01-01

    Full Text Available A rapid, simple, sensitive, and accurate isocratic reversed-phase stability-indicating high performance liquid chromatography method has been developed and validated for the determination of stiripentol and its degradation product in its bulk form and pharmaceutical dosage form. Chromatographic separation was achieved on a Symmetry C18 column and quantification was achieved using photodiode array detector (DAD. The method was validated in accordance with the ICH requirements showing specificity, linearity (r2=0.9996, range of 1–25 μg/mL, precision (relative standard deviation lower than 2%, accuracy (mean recovery 100.08±1.73, limits of detection and quantitation (LOD = 0.024 and LOQ = 0.081 μg/mL, and robustness. Stiripentol was subjected to various stress conditions and it has shown marked stability under alkaline hydrolytic stress conditions, thermal, oxidative, and photolytic conditions. Stiripentol degraded only under acidic conditions, forming a single degradation product which was well resolved from the pure drug with significantly different retention time values. This degradation product was characterized by 1H-NMR and 13C-NMR spectroscopy as well as ion trap mass spectrometry. The results demonstrated that the method would have a great value when applied in quality control and stability studies for stiripentol.

  17. Testing of the preliminary OMERACT validation criteria for a biomarker to be regarded as reflecting structural damage endpoints in rheumatoid arthritis clinical trials: the example of C-reactive protein

    DEFF Research Database (Denmark)

    Keeling, Stephanie O; Landewe, Robert; van der Heijde, Desiree

    2007-01-01

    OBJECTIVE: A list of 14 criteria for guiding the validation of a soluble biomarker as reflecting structural damage endpoints in rheumatoid arthritis (RA) clinical trials was drafted by an international working group after a Delphi consensus exercise. C-reactive protein (CRP), a soluble biomarker...... of individual criteria in the draft set. METHODS: A systematic literature review was conducted to elicit evidence in support of each specific criterion composing the 14-criteria draft set. A summary of the key literature findings per criterion was presented to both the working group and to participants...

  18. Model for the analysis of sun radiation structures exposed to open air: consideration of its validity and usefulness based on its experimentation in situ

    Science.gov (United States)

    Bottoni, Mario; Fabretti, Giuseppe

    2001-03-01

    The definition of the thermal dynamics of a structure-work of cultural interest is important both from the microclimatic point of view and from the structural one. Elastic and plastic deformations, due to phenomena of heat exchange, influence, in a significant way, the mechanical behavior of the structure. Dealing with objects exposed to open air, one of the main sources of heat radiation is, obviously, the sun. Consequently, it is significant to evaluate the importance that solar radiation has in the global heating dynamics of the structure. Therefore, while studying the system Marcus Aurelius- Capitolium square, it was decided to support the investigations in situ (carried out by using thermovision and thermocouples) with the realization, on computer, of a system that could define the theoretical relationship existing between solar dynamics and the bronze monument. Correlation between information deduced from such a model and data obtained in situ, gave useful results and constituted a significant instrument for the analysis of the concrete thermal model of the investigated structure. The opportunity to deepen and improve such an experience arose when the Soprintendenza per i Beni Architettonici ed Ambientali di Firenze e Pistoia asked for a contribution to the studies and investigations aimed to define the thermal model of the Dome of Santa Maria del Fiore.

  19. Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory.

    Science.gov (United States)

    Hempler, Daniela; Schmidt, Martin U; van de Streek, Jacco

    2017-08-01

    More than 600 molecular crystal structures with correct, incorrect and uncertain space-group symmetry were energy-minimized with dispersion-corrected density functional theory (DFT-D, PBE-D3). For the purpose of determining the correct space-group symmetry the required tolerance on the atomic coordinates of all non-H atoms is established to be 0.2 Å. For 98.5% of 200 molecular crystal structures published with missed symmetry, the correct space group is identified; there are no false positives. Very small, very symmetrical molecules can end up in artificially high space groups upon energy minimization, although this is easily detected through visual inspection. If the space group of a crystal structure determined from powder diffraction data is ambiguous, energy minimization with DFT-D provides a fast and reliable method to select the correct space group.

  20. Understanding latent structures of clinical information logistics: A bottom-up approach for model building and validating the workflow composite score.

    Science.gov (United States)

    Esdar, Moritz; Hübner, Ursula; Liebe, Jan-David; Hüsers, Jens; Thye, Johannes

    2017-01-01

    Clinical information logistics is a construct that aims to describe and explain various phenomena of information provision to drive clinical processes. It can be measured by the workflow composite score, an aggregated indicator of the degree of IT support in clinical processes. This study primarily aimed to investigate the yet unknown empirical patterns constituting this construct. The second goal was to derive a data-driven weighting scheme for the constituents of the workflow composite score and to contrast this scheme with a literature based, top-down procedure. This approach should finally test the validity and robustness of the workflow composite score. Based on secondary data from 183 German hospitals, a tiered factor analytic approach (confirmatory and subsequent exploratory factor analysis) was pursued. A weighting scheme, which was based on factor loadings obtained in the analyses, was put into practice. We were able to identify five statistically significant factors of clinical information logistics that accounted for 63% of the overall variance. These factors were "flow of data and information", "mobility", "clinical decision support and patient safety", "electronic patient record" and "integration and distribution". The system of weights derived from the factor loadings resulted in values for the workflow composite score that differed only slightly from the score values that had been previously published based on a top-down approach. Our findings give insight into the internal composition of clinical information logistics both in terms of factors and weights. They also allowed us to propose a coherent model of clinical information logistics from a technical perspective that joins empirical findings with theoretical knowledge. Despite the new scheme of weights applied to the calculation of the workflow composite score, the score behaved robustly, which is yet another hint of its validity and therefore its usefulness. Copyright © 2016 Elsevier Ireland

  1. Factor structure and invariance test of the alcohol use disorder identification test (AUDIT): Comparison and further validation in a U.S. and Philippines college student sample.

    Science.gov (United States)

    Tuliao, Antover P; Landoy, Bernice Vania N; McChargue, Dennis E

    2016-01-01

    The Alcohol Use Disorder Identification Test's factor structure varies depending on population and culture. Because of this inconsistency, this article examined the factor structure of the test and conducted a factorial invariance test between a U.S. and a Philippines college sample. Confirmatory factor analyses indicated that a three-factor solution outperforms the one- and two-factor solution in both samples. Factorial invariance analyses further supports the confirmatory findings by showing that factor loadings were generally invariant across groups; however, item intercepts show non-invariance. Country differences between factors show that Filipino consumption factor mean scores were significantly lower than their U.S. counterparts.

  2. WAIS-IV and WISC-IV Structural Validity: Alternate Methods, Alternate Results. Commentary on Weiss et al. (2013a) and Weiss et al. (2013b)

    Science.gov (United States)

    Canivez, Gary L.; Kush, Joseph C.

    2013-01-01

    Weiss, Keith, Zhu, and Chen (2013a) and Weiss, Keith, Zhu, and Chen (2013b), this issue, report examinations of the factor structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV) and Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV), respectively; comparing Wechsler Hierarchical Model (W-HM) and…

  3. Validity of M-3Y force equivalent G-matrix elements for calculations of the nuclear structure in heavy mass region

    International Nuclear Information System (INIS)

    Cheng Lan; Huang Weizhi; Zhou Baosen

    1996-01-01

    Using the matrix elements of M-3Y force as the equivalent G-matrix elements, the spectra of 210 Pb, 206 Pb, 206 Hg and 210 Po are calculated in the framework of the Folded Diagram Method. The results show that such equivalent matrix elements are suitable for microscopic calculations of the nuclear structure in heavy mass region

  4. Extending Structural Analyses of the Rosenberg Self-Esteem Scale to Consider Criterion-Related Validity: Can Composite Self-Esteem Scores Be Good Enough?

    Science.gov (United States)

    Donnellan, M Brent; Ackerman, Robert A; Brecheen, Courtney

    2016-01-01

    Although the Rosenberg Self-Esteem Scale (RSES) is the most widely used measure of global self-esteem in the literature, there are ongoing disagreements about its factor structure. This methodological debate informs how the measure should be used in substantive research. Using a sample of 1,127 college students, we test the overall fit of previously specified models for the RSES, including a newly proposed bifactor solution (McKay, Boduszek, & Harvey, 2014 ). We extend previous work by evaluating how various latent factors from these structural models are related to a set of criterion variables frequently studied in the self-esteem literature. A strict unidimensional model poorly fit the data, whereas models that accounted for correlations between negatively and positively keyed items tended to fit better. However, global factors from viable structural models had similar levels of association with criterion variables and with the pattern of results obtained with a composite global self-esteem variable calculated from observed scores. Thus, we did not find compelling evidence that different structural models had substantive implications, thereby reducing (but not eliminating) concerns about the integrity of the self-esteem literature based on overall composite scores for the RSES.

  5. Hypogeal geological survey in the "Grotta del Re Tiberio" natural cave (Apennines, Italy): a valid tool for reconstructing the structural setting

    Science.gov (United States)

    Ghiselli, Alice; Merazzi, Marzio; Strini, Andrea; Margutti, Roberto; Mercuriali, Michele

    2011-06-01

    As karst systems are natural windows to the underground, speleology, combined with geological surveys, can be useful tools for helping understand the geological evolution of karst areas. In order to enhance the reconstruction of the structural setting in a gypsum karst area (Vena del Gesso, Romagna Apennines), a detailed analysis has been carried out on hypogeal data. Structural features (faults, fractures, tectonic foliations, bedding) have been mapped in the "Grotta del Re Tiberio" cave, in the nearby gypsum quarry tunnels and open pit benches. Five fracture systems and six fault systems have been identified. The fault systems have been further analyzed through stereographic projections and geometric-kinematic evaluations in order to reconstruct the relative chronology of these structures. This analysis led to the detection of two deformation phases. The results permitted linking of the hypogeal data with the surface data both at a local and regional scale. At the local scale, fracture data collected in the underground have been compared with previous authors' surface data coming from the quarry area. The two data sets show a very good correspondence, as every underground fracture system matches with one of the surface fracture system. Moreover, in the cave, a larger number of fractures belonging to each system could be mapped. At the regional scale, the two deformation phases detected can be integrated in the structural setting of the study area, thereby enhancing the tectonic interpretation of the area ( e.g., structures belonging to a new deformation phase, not reported before, have been identified underground). The structural detailed hypogeal survey has, thus, provided very useful data, both by integrating the existing information and revealing new data not detected at the surface. In particular, some small structures ( e.g., displacement markers and short fractures) are better preserved in the hypogeal environment than on the surface where the outcropping

  6. Methodology for testing and validating knowledge bases

    Science.gov (United States)

    Krishnamurthy, C.; Padalkar, S.; Sztipanovits, J.; Purves, B. R.

    1987-01-01

    A test and validation toolset developed for artificial intelligence programs is described. The basic premises of this method are: (1) knowledge bases have a strongly declarative character and represent mostly structural information about different domains, (2) the conditions for integrity, consistency, and correctness can be transformed into structural properties of knowledge bases, and (3) structural information and structural properties can be uniformly represented by graphs and checked by graph algorithms. The interactive test and validation environment have been implemented on a SUN workstation.

  7. Multi-institutional Quantitative Evaluation and Clinical Validation of Smart Probabilistic Image Contouring Engine (SPICE) Autosegmentation of Target Structures and Normal Tissues on Computer Tomography Images in the Head and Neck, Thorax, Liver, and Male Pelvis Areas

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Mingyao [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States); Bzdusek, Karl [Philips Healthcare, Fitchburg, Wisconsin (United States); Brink, Carsten [Institute of Clinical Research, University of Southern Denmark, Odense (Denmark); Laboratory of Radiation Physics, Odense University Hospital, Odense (Denmark); Eriksen, Jesper Grau [Department of Oncology, Odense University Hospital, Odense (Denmark); Hansen, Olfred [Institute of Clinical Research, University of Southern Denmark, Odense (Denmark); Department of Oncology, Odense University Hospital, Odense (Denmark); Jensen, Helle Anita [Department of Oncology, Odense University Hospital, Odense (Denmark); Gay, Hiram A.; Thorstad, Wade [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States); Widder, Joachim; Brouwer, Charlotte L.; Steenbakkers, Roel J.H.M.; Vanhauten, Hubertus A.M. [Department of Radiation Oncology, University Medical Center Groningen, University of Groningen, Groningen (Netherlands); Cao, Jeffrey Q.; McBrayne, Gail [London Regional Cancer Centre, Ontario (Canada); Patel, Salil H. [Department of Radiation Oncology, Rhode Island Hospital, Providence, Rhode Island (United States); Cannon, Donald M. [Department of Human Oncology, University of Wisconsin—Madison (United States); Hardcastle, Nicholas [Department of Physical Science, Peter MacCallum Cancer Centre, Melbourne (Australia); Tomé, Wolfgang A. [Montefiore Medical Center and Institute of Onco-Physics, Albert Einstein College of Medicine, Bronx, New York (United States); Guckenberg, Matthias [University of Würzburg, Department of Radiation Oncology, Würzburg (Germany); Parikh, Parag J., E-mail: pparikh@radonc.wustl.edu [Department of Radiation Oncology, Washington University School of Medicine, St. Louis, Missouri (United States)

    2013-11-15

    Purpose: Clinical validation and quantitative evaluation of computed tomography (CT) image autosegmentation using Smart Probabilistic Image Contouring Engine (SPICE). Methods and Materials: CT images of 125 treated patients (32 head and neck [HN], 40 thorax, 23 liver, and 30 prostate) in 7 independent institutions were autosegmented using SPICE and computational times were recorded. The number of structures autocontoured were 25 for the HN, 7 for the thorax, 3 for the liver, and 6 for the male pelvis regions. Using the clinical contours as reference, autocontours of 22 selected structures were quantitatively evaluated using Dice Similarity Coefficient (DSC) and Mean Slice-wise Hausdorff Distance (MSHD). All 40 autocontours were evaluated by a radiation oncologist from the institution that treated the patients. Results: The mean computational times to autosegment all the structures using SPICE were 3.1 to 11.1 minutes per patient. For the HN region, the mean DSC was >0.70 for all evaluated structures, and the MSHD ranged from 3.2 to 10.0 mm. For the thorax region, the mean DSC was 0.95 for the lungs and 0.90 for the heart, and the MSHD ranged from 2.8 to 12.8 mm. For the liver region, the mean DSC was >0.92 for all structures, and the MSHD ranged from 5.2 to 15.9 mm. For the male pelvis region, the mean DSC was >0.76 for all structures, and the MSHD ranged from 4.8 to 10.5 mm. Out of the 40 autocontoured structures reviews by experts, 25 were scored useful as autocontoured or with minor edits for at least 90% of the patients and 33 were scored useful autocontoured or with minor edits for at least 80% of the patients. Conclusions: Compared with manual contouring, autosegmentation using SPICE for the HN, thorax, liver, and male pelvis regions is efficient and shows significant promise for clinical utility.

  8. Multi-institutional Quantitative Evaluation and Clinical Validation of Smart Probabilistic Image Contouring Engine (SPICE) Autosegmentation of Target Structures and Normal Tissues on Computer Tomography Images in the Head and Neck, Thorax, Liver, and Male Pelvis Areas

    International Nuclear Information System (INIS)

    Zhu, Mingyao; Bzdusek, Karl; Brink, Carsten; Eriksen, Jesper Grau; Hansen, Olfred; Jensen, Helle Anita; Gay, Hiram A.; Thorstad, Wade; Widder, Joachim; Brouwer, Charlotte L.; Steenbakkers, Roel J.H.M.; Vanhauten, Hubertus A.M.; Cao, Jeffrey Q.; McBrayne, Gail; Patel, Salil H.; Cannon, Donald M.; Hardcastle, Nicholas; Tomé, Wolfgang A.; Guckenberg, Matthias; Parikh, Parag J.

    2013-01-01

    Purpose: Clinical validation and quantitative evaluation of computed tomography (CT) image autosegmentation using Smart Probabilistic Image Contouring Engine (SPICE). Methods and Materials: CT images of 125 treated patients (32 head and neck [HN], 40 thorax, 23 liver, and 30 prostate) in 7 independent institutions were autosegmented using SPICE and computational times were recorded. The number of structures autocontoured were 25 for the HN, 7 for the thorax, 3 for the liver, and 6 for the male pelvis regions. Using the clinical contours as reference, autocontours of 22 selected structures were quantitatively evaluated using Dice Similarity Coefficient (DSC) and Mean Slice-wise Hausdorff Distance (MSHD). All 40 autocontours were evaluated by a radiation oncologist from the institution that treated the patients. Results: The mean computational times to autosegment all the structures using SPICE were 3.1 to 11.1 minutes per patient. For the HN region, the mean DSC was >0.70 for all evaluated structures, and the MSHD ranged from 3.2 to 10.0 mm. For the thorax region, the mean DSC was 0.95 for the lungs and 0.90 for the heart, and the MSHD ranged from 2.8 to 12.8 mm. For the liver region, the mean DSC was >0.92 for all structures, and the MSHD ranged from 5.2 to 15.9 mm. For the male pelvis region, the mean DSC was >0.76 for all structures, and the MSHD ranged from 4.8 to 10.5 mm. Out of the 40 autocontoured structures reviews by experts, 25 were scored useful as autocontoured or with minor edits for at least 90% of the patients and 33 were scored useful autocontoured or with minor edits for at least 80% of the patients. Conclusions: Compared with manual contouring, autosegmentation using SPICE for the HN, thorax, liver, and male pelvis regions is efficient and shows significant promise for clinical utility

  9. Optimized set of two-dimensional experiments for fast sequential assignment, secondary structure determination, and backbone fold validation of 13C/15N-labelled proteins

    International Nuclear Information System (INIS)

    Bersch, Beate; Rossy, Emmanuel; Coves, Jacques; Brutscher, Bernhard

    2003-01-01

    NMR experiments are presented which allow backbone resonance assignment, secondary structure identification, and in favorable cases also molecular fold topology determination from a series of two-dimensional 1 H- 15 N HSQC-like spectra. The 1 H- 15 N correlation peaks are frequency shifted by an amount ± ω X along the 15 N dimension, where ω X is the C α , C β , or H α frequency of the same or the preceding residue. Because of the low dimensionality (2D) of the experiments, high-resolution spectra are obtained in a short overall experimental time. The whole series of seven experiments can be performed in typically less than one day. This approach significantly reduces experimental time when compared to the standard 3D-based methods. The here presented methodology is thus especially appealing in the context of high-throughput NMR studies of protein structure, dynamics or molecular interfaces

  10. Are patients reliable when self-reporting medication use? Validation of structured drug interviews and home visits by drug analysis and prescription data in acutely hospitalized patients

    DEFF Research Database (Denmark)

    Glintborg, Bente; Hillestrøm, Peter René; Olsen, Lenette Holm

    2007-01-01

    inspected, and patients were interviewed about their drug use. Additional blood samples were drawn for drug analysis. The median age of included patients was 72 years, and 298 patients (60%) were women. Patients reported use of 3 (median) prescription-only medications (range, 0-14) during the structured...... interview. The congruence between self-report and drug analysis was high for all 5 drugs measured (all kappa >0.8). However, 9 patients (2%) reported use of drugs that were not detected in their blood samples. In 29 patients (6%), the blood samples contained drugs not reported during the structured...... to an acute medical department at a Danish university hospital were interviewed on the day of admission about their recent medication use. Blood samples drawn immediately after admission were screened for contents of 5 drugs (digoxin, bendroflumethiazide, amlodipine, simvastatin, glimepiride), and the results...

  11. Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory

    DEFF Research Database (Denmark)

    Hempler, Daniela; Schmidt, Martin U.; Van De Streek, Jacco

    2017-01-01

    More than 600 molecular crystal structures with correct, incorrect and uncertain space-group symmetry were energy-minimized with dispersion-corrected density functional theory (DFT-D, PBE-D3). For the purpose of determining the correct space-group symmetry the required tolerance on the atomic...... with missed symmetry were investigated by dispersion-corrected density functional theory. In 98.5% of the cases the correct space group is found....

  12. Perceived parental rearing style in childhood: internal structure and concurrent validity on the Egna Minnen Beträffande Uppfostran--Child Version in clinical settings.

    Science.gov (United States)

    Penelo, Eva; Viladrich, Carme; Domènech, Josep M

    2010-01-01

    We provide the first validation data of the Spanish version of the Egna Minnen Beträffande Uppfostran--Child Version (EMBU-C) in a clinical context. The EMBU-C is a 41-item self-report questionnaire that assesses perceived parental rearing style in children, comprising 4 subscales (rejection, emotional warmth, control attempts/overprotection, and favoring subjects). The test was administered to a clinical sample of 174 Spanish psychiatric outpatients aged 8 to 12. Confirmatory factor analyses were performed, analyzing the children's reports about their parents' rearing style. The results were almost equivalent for father's and mother's ratings. Confirmatory factor analysis yielded an acceptable fit to data of the 3-factor model when removing the items of the favoring subjects scale (root mean squared error of approximation .73), whereas control attempts scale showed lower values, as in previous studies. The influence of sex (of children and parents) on scale scores was inappreciable and children tended to perceive their parents as progressively less warm as they grew older. As predicted, the scores for rejection and emotional warmth were related to bad relationships with parents, absence of family support, harsh discipline, and lack of parental supervision. The Spanish version of EMBU-C can be used with psychometric guarantees to identify rearing style in psychiatric outpatients because evidences of quality in this setting match those obtained in community samples. Copyright 2010 Elsevier Inc. All rights reserved.

  13. Design Validation of a {sup 10}B{sub 4}C Coated RSP with Multi-layered structure for Homeland Security

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Su Hyun; Kim, Jong Yul; Lee, Joo Hyun; Moon, Mung Kook [KAERI, Daejeon (Korea, Republic of); Lim, Chang Hwy [Korea Research Institute of Ships and Ocean Engineering, Daejeon (Korea, Republic of); Lim, Ki Seo [Myongji University, Yongin (Korea, Republic of)

    2016-05-15

    It is a national priority to prevent radiological threats including radiological terrorism and smuggling nuclear material and devices. For this purpose, many governments and relevant organizations have been exploiting radiation detection technology. Especially, radiation portal monitor (RPM) is a widely used type of radiation detectors when it comes to homeland security and commonly deployed at strategic sites like airports and ports. In the most cases, they could be divided into two types of primary screening and secondary screening. In the latter case, hand-held detectors are mainly used for a closer inspection. On the other hand, RPMs for the primary screening, our concern, are stationary mounted type and comprise gamma-ray detector and neutron detector in many cases. The expected performance of the design of a RSP(Radiation Sensor Panel) has been demonstrated. According to the results of the simulation, three RSPs should be needed to meet the criterion mentioned in subsection 2.1. The design still can be validated when taking into account that the geometrical acceptance will be increased since it has been planned that the RPM is going to installed with four RSPs.

  14. Clinical validity of delayed recall tests as a gateway biomarker for Alzheimer's disease in the context of a structured 5-phase development framework.

    Science.gov (United States)

    Cerami, Chiara; Dubois, Bruno; Boccardi, Marina; Monsch, Andreas U; Demonet, Jean Francois; Cappa, Stefano F

    2017-04-01

    Although Alzheimer's disease criteria promote the use of biomarkers, their maturity in clinical routine still needs to be assessed. In the light of the oncology framework, we conducted a literature review on measures used to assess delayed recall impairment due to medial temporal lobe dysfunction (i.e., free and cued word list recall tests). Ample evidence is available for phases 1 (rationale for use), 2 (discriminative ability), and 3 (early detection ability) for many of the tests in routine use. Evidence about phase 4 (performance in real world) and phase 5 (quantify impact and costs) is yet to come. Administration procedures have been standardized and cutoff scores are well validated in large Alzheimer's disease and mild cognitive impaired series. Some aspects (e.g., different task formats), however, hamper the comparability of results among different populations and the reproducibility between laboratories. No definite guideline for their use can thus be proposed at the moment. Accordingly, the maturity of such markers is not yet sufficient and requires future investigation to promote the proper use of memory measures in clinical settings. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Age validation and variation in growth, mortality and population structure of Liza argentea and Myxus elongatus (Mugilidae) in two temperate Australian estuaries.

    Science.gov (United States)

    Kendall, B W; Gray, C A; Bucher, D

    2009-12-01

    This study investigated variation in the rates of growth and mortality, and age and fork-length (L(F)) compositions of two exploited species of Mugilidae, Liza argentea and Myxus elongatus, in two south-east Australian estuaries (Lake Macquarie and St Georges Basin). An ageing protocol was developed by counting opaque growth zones on sectioned otoliths which was validated by periodically examining the otoliths of captive-reared young-of-the-year fishes, and marginal increment analysis of wild fishes. The maximum recorded age was 17 years for L. argentea and 12 years for M. elongatus, which is greater than generally observed in other species of mugilids. Growth models of each species significantly differed between sexes and, except for male L. argentea, between estuaries. Fishes from Lake Macquarie generally had a greater mean L(F) at age than those from St Georges Basin and females of both species generally attained a greater maximum L(F) and age than males. Gillnet catches of L. argentea were of similar L(F) and age compositions in both estuaries, whereas the age composition of catches of M. elongatus in Lake Macquarie contained a greater proportion of younger fish. Estimates of total, natural and fishing mortality were greater for M. elongatus than L. argentea across both estuaries, and estimates of total mortality were greatest for both species in Lake Macquarie. The data indicate that neither species has been overfished in these estuaries.

  16. Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors

    Science.gov (United States)

    Orgován, Zoltán; Ferenczy, György G.; Steinbrecher, Thomas; Szilágyi, Bence; Bajusz, Dávid; Keserű, György M.

    2018-02-01

    Optimization of fragment size d-amino acid oxidase (DAAO) inhibitors was investigated using a combination of computational and experimental methods. Retrospective free energy perturbation (FEP) calculations were performed for benzo[d]isoxazole derivatives, a series of known inhibitors with two potential binding modes derived from X-ray structures of other DAAO inhibitors. The good agreement between experimental and computed binding free energies in only one of the hypothesized binding modes strongly support this bioactive conformation. Then, a series of 1-H-indazol-3-ol derivatives formerly not described as DAAO inhibitors was investigated. Binding geometries could be reliably identified by structural similarity to benzo[d]isoxazole and other well characterized series and FEP calculations were performed for several tautomers of the deprotonated and protonated compounds since all these forms are potentially present owing to the experimental pKa values of representative compounds in the series. Deprotonated compounds are proposed to be the most important bound species owing to the significantly better agreement between their calculated and measured affinities compared to the protonated forms. FEP calculations were also used for the prediction of the affinities of compounds not previously tested as DAAO inhibitors and for a comparative structure-activity relationship study of the benzo[d]isoxazole and indazole series. Selected indazole derivatives were synthesized and their measured binding affinity towards DAAO was in good agreement with FEP predictions.

  17. The Use of the Risky Sex Scale among Adolescents Receiving Treatment Services for Substance Use Problems: Factor Structure and Predictive Validity

    Science.gov (United States)

    Tubman, Jonathan G.; Des Rosiers, Sabrina E.; Schwartz, Seth J.; O'Hare, Thomas

    2015-01-01

    The present study evaluated the use of the Risky Sex Scale (RSS; O'Hare, 2001) among youth in outpatient treatment for substance use problems. An ethnically diverse sample of 394 adolescents (280 males; Mage = 16.33 years, SDage = 1.15) was recruited from two treatment sites. The study was guided by two aims. First, a confirmatory factor analysis was conducted on RSS item responses. Findings replicated the factor structure identified in previous studies of undergraduate students cited for campus alcohol violations. Second, structural equation modeling (SEM) was used to document associations between RSS subscales and self-reported substance use and sexual risk behaviors. The Risky Sex Expectancies (RSE) subscale was significantly associated with co-occurring alcohol use and sex, alcohol use at last intercourse, and alcohol use during the prior 30 days. The Risky Sex Behaviors (RSB) subscale was significantly associated with cooccurring drug use and sex, condom use at last intercourse and unprotected intercourse during the prior 30 days. The factor structure of the RSS was consistent across age group (12-16 and 16- 18) and across gender, and the links between the RSS subscales and health risk behaviors varied somewhat by gender but not by age group. These findings suggest that the RSS is an appropriate brief screening tool for predicting health risk behaviors among adolescents in substance abuse treatment. PMID:22425202

  18. Validation of the k-filtering technique for a signal composed of random-phase plane waves and non-random coherent structures

    Directory of Open Access Journals (Sweden)

    O. W. Roberts

    2014-12-01

    Full Text Available Recent observations of astrophysical magnetic fields have shown the presence of fluctuations being wave-like (propagating in the plasma frame and those described as being structure-like (advected by the plasma bulk velocity. Typically with single-spacecraft missions it is impossible to differentiate between these two fluctuations, due to the inherent spatio-temporal ambiguity associated with a single point measurement. However missions such as Cluster which contain multiple spacecraft have allowed for temporal and spatial changes to be resolved, using techniques such as k filtering. While this technique does not assume Taylor's hypothesis it requires both weak stationarity of the time series and that the fluctuations can be described by a superposition of plane waves with random phases. In this paper we test whether the method can cope with a synthetic signal which is composed of a combination of non-random-phase coherent structures with a mean radius d and a mean separation λ, as well as plane waves with random phase.

  19. Working conditions, burnout and stress symptoms in university professors: validating a structural model of the mediating effect of perceived personal competence.

    Science.gov (United States)

    Avargues Navarro, María Luisa; Borda Mas, Mercedes; López Jiménez, Ana María

    2010-05-01

    The purpose of this study has been to test, with a sample of 193 Professors of the University of Seville, a structural model on the mediating role of personal perceived competence in the appearance of burnout syndrome and stress symptoms under potentially stressful work conditions. The instruments used to evaluate were a socio-demographic and work-related data questionnaire, The Maslach Burnout Inventory (M.B.I.), The Labour Scale of Stress and the Magallanes Stress Scale. The model of strategy implementation and LISREL 8.71 were used. The estimated model was adjusted satisfactorily, ascertaining the mediating effect of perceived competence in the effect exerted by the work conditions studied on the depersonalization and personal fulfillment, as well as in the appearance of stress symptoms. The effect on the emotional exhaustion dimension was not confirmed. The latter also acted on the estimated model as a mediating variable, facilitating the negative impact of stressors on emotional exhaustion, depersonalization and personal accomplishment.

  20. Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation.

    Science.gov (United States)

    Li, Liwei; Khanna, May; Jo, Inha; Wang, Fang; Ashpole, Nicole M; Hudmon, Andy; Meroueh, Samy O

    2011-04-25

    We assess the performance of our previously reported structure-based support vector machine target-specific scoring function across 41 targets, 40 among them from the Directory of Useful Decoys (DUD). The area under the curve of receiver operating characteristic plots (ROC-AUC) revealed that scoring with SVM-SP resulted in consistently better enrichment over all target families, outperforming Glide and other scoring functions, most notably among kinases. In addition, SVM-SP performance showed little variation among protein classes, exhibited excellent performance in a test case using a homology model, and in some cases showed high enrichment even with few structures used to train a model. We put SVM-SP to the test by virtual screening 1125 compounds against two kinases, EGFR and CaMKII. Among the top 25 EGFR compounds, three compounds (1-3) inhibited kinase activity in vitro with IC₅₀ of 58, 2, and 10 μM. In cell cultures, compounds 1-3 inhibited nonsmall cell lung carcinoma (H1299) cancer cell proliferation with similar IC₅₀ values for compound 3. For CaMKII, one compound inhibited kinase activity in a dose-dependent manner among 20 tested with an IC₅₀ of 48 μM. These results are encouraging given that our in-house library consists of compounds that emerged from virtual screening of other targets with pockets that are different from typical ATP binding sites found in kinases. In light of the importance of kinases in chemical biology, these findings could have implications in future efforts to identify chemical probes of kinases within the human kinome.

  1. Lower Length Scale Characterization and Validation of Formation and Stability of Helium Bubbles in Nano-structured Ferritic Alloys under Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Huijuan [Clemson Univ., SC (United States); Yun, Di [Argonne National Lab. (ANL), Argonne, IL (United States); Hoelzer, David [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). BioEnergy Science Center (BESC)

    2018-01-30

    In order to extend the operating license of current light water reactors (LWRs) in the United States and other countries to as many as 80 years or longer, it is demanding to identify potential materials for many of the internal structural components and fasteners. We proposed that 14YWT iron alloy can be adopted in such applications with its excellent material properties, such as high-temperature strength, low creep rate, and high irradiation resistance. Application with 14YWT would improve the void/helium swelling characteristics of the LWR fuels, extend the burn-up limits with the tolerant temperature up to 800oC and reduce the hydrogen production. One key feature of 14YWT material property enhancement is the ultrafine high density of 2-4nm Y-Ti-O enriched nanoclusters (NCs) within the 14YWT iron matrix. The NCs can effectively pin the ultra-fine grain boundaries and dislocations, which significantly enhance mechanical properties of the alloy. Moreover, these nanoclusters remain stable with no coarsening after a large dose of ion irradiation. After ion irradiation, the helium bubbles are observed extremely uniform in size (1nm) and quite homogeneously distributed within the 14YWT matrix, which indicates that the microstructure of 14YWT remains remarkably tolerance to radiation damage. However, there is a lack of understanding of 14YWT both theoretically and experimentally in order to understand the mechanism behind the material property enhancement and to further develop and design a new generation of advanced structural material for current LWR applications and future fusion applications.

  2. Construct Validity and Case Validity in Assessment

    Science.gov (United States)

    Teglasi, Hedwig; Nebbergall, Allison Joan; Newman, Daniel

    2012-01-01

    Clinical assessment relies on both "construct validity", which focuses on the accuracy of conclusions about a psychological phenomenon drawn from responses to a measure, and "case validity", which focuses on the synthesis of the full range of psychological phenomena pertaining to the concern or question at hand. Whereas construct validity is…

  3. Exploring RNA structure by integrative molecular modelling

    DEFF Research Database (Denmark)

    Masquida, Benoît; Beckert, Bertrand; Jossinet, Fabrice

    2010-01-01

    RNA molecular modelling is adequate to rapidly tackle the structure of RNA molecules. With new structured RNAs constituting a central class of cellular regulators discovered every year, the need for swift and reliable modelling methods is more crucial than ever. The pragmatic method based...... on interactive all-atom molecular modelling relies on the observation that specific structural motifs are recurrently found in RNA sequences. Once identified by a combination of comparative sequence analysis and biochemical data, the motifs composing the secondary structure of a given RNA can be extruded...

  4. High-resolution noise substitution to measure overfitting and validate resolution in 3D structure determination by single particle electron cryomicroscopy.

    Science.gov (United States)

    Chen, Shaoxia; McMullan, Greg; Faruqi, Abdul R; Murshudov, Garib N; Short, Judith M; Scheres, Sjors H W; Henderson, Richard

    2013-12-01

    Three-dimensional (3D) structure determination by single particle electron cryomicroscopy (cryoEM) involves the calculation of an initial 3D model, followed by extensive iterative improvement of the orientation determination of the individual particle images and the resulting 3D map. Because there is much more noise than signal at high resolution in the images, this creates the possibility of noise reinforcement in the 3D map, which can give a false impression of the resolution attained. The balance between signal and noise in the final map at its limiting resolution depends on the image processing procedure and is not easily predicted. There is a growing awareness in the cryoEM community of how to avoid such over-fitting and over-estimation of resolution. Equally, there has been a reluctance to use the two principal methods of avoidance because they give lower resolution estimates, which some people believe are too pessimistic. Here we describe a simple test that is compatible with any image processing protocol. The test allows measurement of the amount of signal and the amount of noise from overfitting that is present in the final 3D map. We have applied the method to two different sets of cryoEM images of the enzyme beta-galactosidase using several image processing packages. Our procedure involves substituting the Fourier components of the initial particle image stack beyond a chosen resolution by either the Fourier components from an adjacent area of background, or by simple randomisation of the phases of the particle structure factors. This substituted noise thus has the same spectral power distribution as the original data. Comparison of the Fourier Shell Correlation (FSC) plots from the 3D map obtained using the experimental data with that from the same data with high-resolution noise (HR-noise) substituted allows an unambiguous measurement of the amount of overfitting and an accompanying resolution assessment. A simple formula can be used to calculate an

  5. Coarse-grained/molecular mechanics of the TAS2R38 bitter taste receptor: experimentally-validated detailed structural prediction of agonist binding.

    Directory of Open Access Journals (Sweden)

    Alessandro Marchiori

    Full Text Available Bitter molecules in humans are detected by ∼25 G protein-coupled receptors (GPCRs. The lack of atomic resolution structure for any of them is complicating an in depth understanding of the molecular mechanisms underlying bitter taste perception. Here, we investigate the molecular determinants of the interaction of the TAS2R38 bitter taste receptor with its agonists phenylthiocarbamide (PTC and propylthiouracil (PROP. We use the recently developed hybrid Molecular Mechanics/Coarse Grained (MM/CG method tailored specifically for GPCRs. The method, through an extensive exploration of the conformational space in the binding pocket, allows the identification of several residues important for agonist binding that would have been very difficult to capture from the standard bioinformatics/docking approach. Our calculations suggest that both agonists bind to Asn103, Phe197, Phe264 and Trp201, whilst they do not interact with the so-called extra cellular loop 2, involved in cis-retinal binding in the GPCR rhodopsin. These predictions are consistent with data sets based on more than 20 site-directed mutagenesis and functional calcium imaging experiments of TAS2R38. The method could be readily used for other GPCRs for which experimental information is currently lacking.

  6. Validating the 11-Item Revised University of California Los Angeles Scale to Assess Loneliness Among Older Adults: An Evaluation of Factor Structure and Other Measurement Properties.

    Science.gov (United States)

    Lee, Joonyup; Cagle, John G

    2017-11-01

    To examine the measurement properties and factor structure of the short version of the Revised University of California Los Angeles (R-UCLA) loneliness scale from the Health and Retirement Study (HRS). Based on data from 3,706 HRS participants aged 65 + who completed the 2012 wave of the HRS and its Psychosocial Supplement, the measurement properties and factorability of the R-UCLA were examined by conducting an exploratory factor analysis (EFA) and the confirmatory factor analysis (CFA) on randomly split halves. The average score for the 11-item loneliness scale was 16.4 (standard deviation: 4.5). An evaluation of the internal consistency produced a Cronbach's α of 0.87. Results from the EFA showed that two- and three-factor models were appropriate. However, based on the results of the CFA, only a two-factor model was determined to be suitable because there was a very high correlation between two factors identified in the three-factor model, available social connections and sense of belonging. This study provides important data on the properties of the 11-item R-UCLA scale by identifying a two-factor model of loneliness: feeling isolated and available social connections. Our findings suggest the 11-item R-UCLA has good factorability and internal reliability. Copyright © 2017 American Association for Geriatric Psychiatry. Published by Elsevier Inc. All rights reserved.

  7. How much do incentives affect car purchase? Agent-based microsimulation of consumer choice of new cars. Part 1. Model structure, simulation of bounded rationality, and model validation

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Michel G.; Haan, Peter de [ETH Zurich, Institute for Environmental Decisions, Natural and Social Science Interface, Universitaetstr. 22, CHN J 73.2, 8092 Zurich (Switzerland)

    2009-03-15

    This article presents an agent-based microsimulation capable of forecasting the effects of policy levers that influence individual choices of new passenger cars. The fundamental decision-making units are households distinguished by sociodemographic characteristics and car ownership. A two-stage model of individual decision processes is employed. In the first stage, individual choice sets are constructed using simple, non-compensatory rules that are based on previously owned cars. Second, decision makers evaluate alternatives in their individual choice set using a multi-attributive weighting rule. The attribute weights are based on a multinomial logit model for cross-country policy analysis in European countries. Additionally, prospect theory and the notion of mental accounting are used to model the perception of monetary values. The microsimulation forecasts actual market observations with high accuracy, both on the level of aggregate market characteristics as well as on a highly resolved level of distributions of market shares. The presented approach is useful for the assessment of policies that influence individual purchase decisions of new passenger cars; it allows accounting for a highly resolved car fleet and differentiated consumer segments. As a result, the complexity of incentive schemes can be represented and detailed structural changes can be investigated. (author)

  8. Retinal Ligand Mobility Explains Internal Hydration and Reconciles Active Rhodopsin Structures

    Science.gov (United States)

    Leioatts, Nicholas; Mertz, Blake; Martínez-Mayorga, Karina; Romo, Tod D.; Pitman, Michael C.; Feller, Scott E.; Grossfield, Alan; Brown, Michael F.

    2014-01-01

    Rhodopsin, the mammalian dim-light receptor, is one of the best-characterized G-protein-coupled receptors, a pharmaceutically important class of membrane proteins that has garnered a great deal of attention because of the recent availability of structural information. Yet the mechanism of rhodopsin activation is not fully understood. Here, we use microsecond-scale all-atom molecular dynamics simulations, validated by solid-state 2H nuclear magnetic resonance spectroscopy, to understand the transition between the dark and metarhodopsin I (Meta I) states. Our analysis of these simulations reveals striking differences in ligand flexibility between the two states. Retinal is much more dynamic in Meta I, adopting an elongated conformation similar to that seen in the recent activelike crystal structures. Surprisingly, this elongation corresponds to both a dramatic influx of bulk water into the hydrophobic core of the protein and a concerted transition in the highly conserved Trp2656.48 residue. In addition, enhanced ligand flexibility upon light activation provides an explanation for the different retinal orientations observed in X-ray crystal structures of active rhodopsin. PMID:24328554

  9. Death Anxiety, Reliability, Validity, and Factorial Structure of the Farsi Form of the Arabic Scale of Death Anxiety in Iranian Old-Aged Persons

    Directory of Open Access Journals (Sweden)

    Mahboubeh Dadfar

    2016-01-01

    Full Text Available The present study is aimed at examining the level of death anxiety and the sex-related differences among old-aged Iranian individuals sample to compare the old-aged persons with young college students and to explore the psychometric properties of the Arabic Scale of Death Anxiety (ASDA factors in old-aged sample. A sample of 146 volunteer Iranian individuals took part in the study. The mean ages were 68.58 (SD = 7.10, men 68.81 (SD = 7.44 and women 68.28 (SD = 6.76, respectively. The mean score of the ASDA was 51.09 (SD = 20.19. Cronbach’s alpha of the ASDA was found to be high (0.94; and Spearman-Brown coefficient was 0.92. Women had a significantly higher mean total score on the ASDA. Old-aged individuals had a significantly higher mean ASDA total score than younger college students (M age = 25.77. The factor analysis of the ASDA items yielded three factors accounting for 67.88% of the total variance labeled (F1 fear of dead people and tombs; (F2 fear of lethal disease and postmortem events; and (F3 death fear. These factors were highly replicable with previous factors extracted from a middle-aged Kuwaiti sample. On the basis of the present results, there are the following three general conclusions: death anxiety is not significantly correlated with age; the sex-related differences on death anxiety are striking in the Iranian samples; and the ASDA has a highly replicable factor structure among two Iranian and Arab countries.

  10. Structural validity of the Wechsler Intelligence Scale for Children-Fifth Edition: Confirmatory factor analyses with the 16 primary and secondary subtests.

    Science.gov (United States)

    Canivez, Gary L; Watkins, Marley W; Dombrowski, Stefan C

    2017-04-01

    The factor structure of the Wechsler Intelligence Scale for Children-Fifth Edition (WISC-V; Wechsler, 2014a) standardization sample (N = 2,200) was examined using confirmatory factor analyses (CFA) with maximum likelihood estimation for all reported models from the WISC-V Technical and Interpretation Manual (Wechsler, 2014b). Additionally, alternative bifactor models were examined and variance estimates and model-based reliability estimates (ω coefficients) were provided. Results from analyses of the 16 primary and secondary WISC-V subtests found that all higher-order CFA models with 5 group factors (VC, VS, FR, WM, and PS) produced model specification errors where the Fluid Reasoning factor produced negative variance and were thus judged inadequate. Of the 16 models tested, the bifactor model containing 4 group factors (VC, PR, WM, and PS) produced the best fit. Results from analyses of the 10 primary WISC-V subtests also found the bifactor model with 4 group factors (VC, PR, WM, and PS) produced the best fit. Variance estimates from both 16 and 10 subtest based bifactor models found dominance of general intelligence (g) in accounting for subtest variance (except for PS subtests) and large ω-hierarchical coefficients supporting general intelligence interpretation. The small portions of variance uniquely captured by the 4 group factors and low ω-hierarchical subscale coefficients likely render the group factors of questionable interpretive value independent of g (except perhaps for PS). Present CFA results confirm the EFA results reported by Canivez, Watkins, and Dombrowski (2015); Dombrowski, Canivez, Watkins, and Beaujean (2015); and Canivez, Dombrowski, and Watkins (2015). (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  11. Death Anxiety, Reliability, Validity, and Factorial Structure of the Farsi Form of the Arabic Scale of Death Anxiety in Iranian Old-Aged Persons.

    Science.gov (United States)

    Dadfar, Mahboubeh; Lester, David; Bahrami, Fazel

    2016-01-01

    The present study is aimed at examining the level of death anxiety and the sex-related differences among old-aged Iranian individuals sample to compare the old-aged persons with young college students and to explore the psychometric properties of the Arabic Scale of Death Anxiety (ASDA) factors in old-aged sample. A sample of 146 volunteer Iranian individuals took part in the study. The mean ages were 68.58 (SD = 7.10), men 68.81 (SD = 7.44) and women 68.28 (SD = 6.76), respectively. The mean score of the ASDA was 51.09 (SD = 20.19). Cronbach's alpha of the ASDA was found to be high (0.94); and Spearman-Brown coefficient was 0.92. Women had a significantly higher mean total score on the ASDA. Old-aged individuals had a significantly higher mean ASDA total score than younger college students (M age = 25.77). The factor analysis of the ASDA items yielded three factors accounting for 67.88% of the total variance labeled (F1) fear of dead people and tombs; (F2) fear of lethal disease and postmortem events; and (F3) death fear. These factors were highly replicable with previous factors extracted from a middle-aged Kuwaiti sample. On the basis of the present results, there are the following three general conclusions: death anxiety is not significantly correlated with age; the sex-related differences on death anxiety are striking in the Iranian samples; and the ASDA has a highly replicable factor structure among two Iranian and Arab countries.

  12. Validación de un cuestionario de contexto para evaluar sistemas educativos con Modelos de Ecuaciones Estructurales. [Validation of a context questionnaire for the evaluation of educational systems with Structural Equations Modeling].

    Directory of Open Access Journals (Sweden)

    González-Montesinos, Manuel-Jorge

    2010-12-01

    Full Text Available This work shows the use of Structural Equations Modeling (SEM methodology to validate the conceptual structure of context questionnaires employed in national and international studies that evaluate the educational achievement of students. Unfortunately, evaluation agencies do not assign the same amount of technical resources to context questionnaires as those allotted to achievement tests, consequently the former are rarely subject to validity studies. In order to show the use of SEM methodology, a questionnaire was selected, which was employed by the National Institute for the Evaluation of Education to investigate the background factors associated with educational achievement of elementary school students in the third grade. It was administered to a national representative sample of 55,312 students. This questionnaire is analyzed according to SEM procedures of confirmatory factor analysis (CFA. The obtained results provide evidence for the constructive validity of this tool. Este trabajo tiene el propósito de mostrar el uso de la metodología de Modelos de Ecuaciones Estructurales (SEM para validar la estructura conceptual de cuestionarios de contexto que se utilizan en los estudios nacionales e internacionales para evaluar el logro educativo de los escolares. Desgraciadamente, los organismos evaluadores no destinan los mismos recursos técnicos a los cuestionarios de contexto que a las pruebas de aprendizaje, por lo que rara vez los primeros son sujetos a estudios de validez. Para mostrar el uso de la metodología SEM, se seleccionó el cuestionario dirigido a alumnos que utilizó el Instituto Nacional para la Evaluación de la Educación (INEE para conocer los factores de contexto asociados el logro educativo de los estudiantes de tercero de primaria, el que se aplicó a una muestra representativa nacional de 55, 312 alumnos. A dicho instrumento se le aplican los supuestos y procedimientos del análisis factorial confirmatorio (AFC y se

  13. The Shame and Guilt Scales of the Test of Self-Conscious Affect-Adolescent (TOSCA-A): Factor Structure, Concurrent and Discriminant Validity, and Measurement and Structural Invariance Across Ratings of Males and Females.

    Science.gov (United States)

    Watson, Shaun; Gomez, Rapson; Gullone, Eleonora

    2017-06-01

    This study examined various psychometric properties of the items comprising the shame and guilt scales of the Test of Self-Conscious Affect-Adolescent. A total of 563 adolescents (321 females and 242 males) completed these scales, and also measures of depression and empathy. Confirmatory factor analysis provided support for an oblique two-factor model, with the originally proposed shame and guilt items comprising shame and guilt factors, respectively. Also, shame correlated with depression positively and had no relation with empathy. Guilt correlated with depression negatively and with empathy positively. Thus, there was support for the convergent and discriminant validity of the shame and guilt factors. Multiple-group confirmatory factor analysis comparing females and males, based on the chi-square difference test, supported full metric invariance, the intercept invariance of 26 of the 30 shame and guilt items, and higher latent mean scores among females for both shame and guilt. Comparisons based on the difference in root mean squared error of approximation values supported full measurement invariance and no gender difference for latent mean scores. The psychometric and practical implications of the findings are discussed.

  14. Audit Validation Using Ontologies

    Directory of Open Access Journals (Sweden)

    Ion IVAN

    2015-01-01

    Full Text Available Requirements to increase quality audit processes in enterprises are defined. It substantiates the need for assessment and management audit processes using ontologies. Sets of rules, ways to assess the consistency of rules and behavior within the organization are defined. Using ontologies are obtained qualifications that assess the organization's audit. Elaboration of the audit reports is a perfect algorithm-based activity characterized by generality, determinism, reproducibility, accuracy and a well-established. The auditors obtain effective levels. Through ontologies obtain the audit calculated level. Because the audit report is qualitative structure of information and knowledge it is very hard to analyze and interpret by different groups of users (shareholders, managers or stakeholders. Developing ontology for audit reports validation will be a useful instrument for both auditors and report users. In this paper we propose an instrument for validation of audit reports contain a lot of keywords that calculates indicators, a lot of indicators for each key word there is an indicator, qualitative levels; interpreter who builds a table of indicators, levels of actual and calculated levels.

  15. Accurate protein structure modeling using sparse NMR data and homologous structure information.

    Science.gov (United States)

    Thompson, James M; Sgourakis, Nikolaos G; Liu, Gaohua; Rossi, Paolo; Tang, Yuefeng; Mills, Jeffrey L; Szyperski, Thomas; Montelione, Gaetano T; Baker, David

    2012-06-19

    While information from homologous structures plays a central role in X-ray structure determination by molecular replacement, such information is rarely used in NMR structure determination because it can be incorrect, both locally and globally, when evolutionary relationships are inferred incorrectly or there has been considerable evolutionary structural divergence. Here we describe a method that allows robust modeling of protein structures of up to 225 residues by combining (1)H(N), (13)C, and (15)N backbone and (13)Cβ chemical shift data, distance restraints derived from homologous structures, and a physically realistic all-atom energy function. Accurate models are distinguished from inaccurate models generated using incorrect sequence alignments by requiring that (i) the all-atom energies of models generated using the restraints are lower than models generated in unrestrained calculations and (ii) the low-energy structures converge to within 2.0 Å backbone rmsd over 75% of the protein. Benchmark calculations on known structures and blind targets show that the method can accurately model protein structures, even with very remote homology information, to a backbone rmsd of 1.2-1.9 Å relative to the conventional determined NMR ensembles and of 0.9-1.6 Å relative to X-ray structures for well-defined regions of the protein structures. This approach facilitates the accurate modeling of protein structures using backbone chemical shift data without need for side-chain resonance assignments and extensive analysis of NOESY cross-peak assignments.

  16. Multi-institutional Quantitative Evaluation and Clinical Validation of Smart Probabilistic Image Contouring Engine (SPICE) Autosegmentation of Target Structures and Normal Tissues on Computer Tomography Images in the Head and Neck, Thorax, Liver, and Male Pelvis Areas

    DEFF Research Database (Denmark)

    Zhu, Mingyao; Bzdusek, Karl; Brink, Carsten

    2013-01-01

    Clinical validation and quantitative evaluation of computed tomography (CT) image autosegmentation using Smart Probabilistic Image Contouring Engine (SPICE).......Clinical validation and quantitative evaluation of computed tomography (CT) image autosegmentation using Smart Probabilistic Image Contouring Engine (SPICE)....

  17. Borderline personality disorder subscale (Chinese version) of the structured clinical interview for DSM-IV axis II personality disorders: a validation study in Cantonese-speaking Hong Kong Chinese.

    Science.gov (United States)

    Wong, H M; Chow, L Y

    2011-06-01

    Borderline personality disorder is an important but under-recognised clinical entity, for which there are only a few available diagnostic instruments in the Chinese language. None has been tested for its psychometric properties in the Cantonese-speaking population in Hong Kong. The present study aimed to assess the validity of the Chinese version of the Borderline Personality Disorder subscale of the Structured Clinical Interview for the Diagnostic and Statistical Manual of Mental Disorders Axis II Personality Disorders (SCID-II) in Cantonese-speaking Hong Kong Chinese. A convenience sampling method was used. The subjects were seen by a multidisciplinary clinical team, who arrived at a best-estimate diagnosis and then by application of the SCID-II rater using the Chinese version of the Borderline Personality Disorder subscale. The study was carried out at the psychiatric clinic of the Prince of Wales Hospital in Hong Kong. A total of 87 patients of Chinese ethnicity aged 18 to 64 years who attended the clinic in April 2007 were recruited. The aforementioned patient parameters were used to examine the internal consistency, best-estimate clinical diagnosis-SCID diagnosis agreement, sensitivity, and specificity of the Chinese version of the subscale. The Borderline Personality Disorder subscale (Chinese version) of SCID-II had an internal consistency of 0.82 (Cronbach's alpha coefficient), best-estimate clinical diagnosis-SCID diagnosis agreement of 0.82 (kappa), sensitivity of 0.92, and specificity of 0.94. The Borderline Personality Disorder subscale (Chinese version) of the SCID-II rater had reasonable validity when applied to Cantonese-speaking Chinese subjects in Hong Kong.

  18. Preliminary Assessment of ATR-C Capabilities to Provide Integral Benchmark Data for Key Structural/Matrix Materials that May be Used for Nuclear Data Testing and Analytical Methods Validation

    Energy Technology Data Exchange (ETDEWEB)

    John D. Bess

    2009-03-01

    The purpose of this research is to provide a fundamental computational investigation into the possible integration of experimental activities with the Advanced Test Reactor Critical (ATR-C) facility with the development of benchmark experiments. Criticality benchmarks performed in the ATR-C could provide integral data for key matrix and structural materials used in nuclear systems. Results would then be utilized in the improvement of nuclear data libraries and as a means for analytical methods validation. It is proposed that experiments consisting of well-characterized quantities of materials be placed in the Northwest flux trap position of the ATR-C. The reactivity worth of the material could be determined and computationally analyzed through comprehensive benchmark activities including uncertainty analyses. Experiments were modeled in the available benchmark model of the ATR using MCNP5 with the ENDF/B-VII.0 cross section library. A single bar (9.5 cm long, 0.5 cm wide, and 121.92 cm high) of each material could provide sufficient reactivity difference in the core geometry for computational modeling and analysis. However, to provide increased opportunity for the validation of computational models, additional bars of material placed in the flux trap would increase the effective reactivity up to a limit of 1$ insertion. For simplicity in assembly manufacture, approximately four bars of material could provide a means for additional experimental benchmark configurations, except in the case of strong neutron absorbers and many materials providing positive reactivity. Future tasks include the cost analysis and development of the experimental assemblies, including means for the characterization of the neutron flux and spectral indices. Oscillation techniques may also serve to provide additional means for experimentation and validation of computational methods and acquisition of integral data for improving neutron cross sections. Further assessment of oscillation

  19. Preliminary Assessment of ATR-C Capabilities to Provide Integral Benchmark Data for Key Structural/Matrix Materials that May be Used for Nuclear Data Testing and Analytical Methods Validation

    Energy Technology Data Exchange (ETDEWEB)

    John D. Bess

    2009-07-01

    The purpose of this document is to identify some suggested types of experiments that can be performed in the Advanced Test Reactor Critical (ATR-C) facility. A fundamental computational investigation is provided to demonstrate possible integration of experimental activities in the ATR-C with the development of benchmark experiments. Criticality benchmarks performed in the ATR-C could provide integral data for key matrix and structural materials used in nuclear systems. Results would then be utilized in the improvement of nuclear data libraries and as a means for analytical methods validation. It is proposed that experiments consisting of well-characterized quantities of materials be placed in the Northwest flux trap position of the ATR-C. The reactivity worth of the material could be determined and computationally analyzed through comprehensive benchmark activities including uncertainty analyses. Experiments were modeled in the available benchmark model of the ATR using MCNP5 with the ENDF/B-VII.0 cross section library. A single bar (9.5 cm long, 0.5 cm wide, and 121.92 cm high) of each material could provide sufficient reactivity difference in the core geometry for computational modeling and analysis. However, to provide increased opportunity for the validation of computational models, additional bars of material placed in the flux trap would increase the effective reactivity up to a limit of 1$ insertion. For simplicity in assembly manufacture, approximately four bars of material could provide a means for additional experimental benchmark configurations, except in the case of strong neutron absorbers and many materials providing positive reactivity. Future tasks include the cost analysis and development of the experimental assemblies, including means for the characterization of the neutron flux and spectral indices. Oscillation techniques may also serve to provide additional means for experimentation and validation of computational methods and acquisition of

  20. Selective Mutism Questionnaire: Measurement Structure and Validity

    Science.gov (United States)

    Letamendi, Andrea M.; Chavira, Denise A.; Hitchcock, Carla A.; Roesch, Scott C.; Shipon-Blum, Elisa; Stein, Murray B.

    2008-01-01

    The psychometric properties of the Selective Mutism Questionnaire (SMQ) are evaluated using a clinical sample of children with selective mutism (SM). The study shows that SMQ is useful in determining the severity of a child's nonspeaking behaviors, the scope of these behaviors and necessary follow up assessment.

  1. Validación estructural del Wong-Law Emotional Intelligence Scale (WLEIS: estudio preliminar en adultos / Structural validation of the Wong-Law Emotional Intelligence Scale (WLEIS: preliminary study in adults

    Directory of Open Access Journals (Sweden)

    César Merino Soto

    2016-06-01

    structure validity of the WLEIS in Peruvian adults. There were 120 participants (72 women between 17 and 59 years old who responded to the questionnaire mediated by the internet. The internal structure was analyzed using structural equations methodology. A satisfactory structure of 4 factors and high factorial loads of items was found. The inter-factorial correlations were high or moderately high – and the internal consistency was good. It is concluded that the first results are acceptable – to assume that the Wong-Law model is also apparently generalizable.

  2. Lesson 6: Signature Validation

    Science.gov (United States)

    Checklist items 13 through 17 are grouped under the Signature Validation Process, and represent CROMERR requirements that the system must satisfy as part of ensuring that electronic signatures it receives are valid.

  3. Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension

    DEFF Research Database (Denmark)

    Sonne, Jacob; Jensen, M.Ø.; Hansen, Flemming Yssing

    2007-01-01

    lipid of 60.4 ± 0.1 Å2. Compared to the 48 Å2, the new value of 60.4 Å2 is in fair agreement with the experimental value of 64 Å2. In addition, the simulated order parameter profile and electron density profile are in satisfactory agreement with experimental data. Thus, the biologically more interesting...

  4. Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments

    Czech Academy of Sciences Publication Activity Database

    Olžyńska, Agnieszka; Zubek, M.; Roeselová, Martina; Korchowiec, J.; Cwiklik, Lukasz

    2016-01-01

    Roč. 1858, č. 12 (2016), s. 3120-3130 ISSN 0005-2736 R&D Projects: GA ČR GA15-14292S Institutional support: RVO:61388955 ; RVO:61388963 Keywords : phospholipid monolayers * Lung surfactant * molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.498, year: 2016

  5. All-Atom Polarizable Force Field for DNA Based on the Classical Drude Oscillator Model

    Science.gov (United States)

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Presented is a first generation atomistic force field for DNA in which electronic polarization is modeled based on the classical Drude oscillator formalism. The DNA model is based on parameters for small molecules representative of nucleic acids, including alkanes, ethers, dimethylphosphate, and the nucleic acid bases and empirical adjustment of key dihedral parameters associated with the phosphodiester backbone, glycosidic linkages and sugar moiety of DNA. Our optimization strategy is based on achieving a compromise between satisfying the properties of the underlying model compounds in the gas phase targeting QM data and reproducing a number of experimental properties of DNA duplexes in the condensed phase. The resulting Drude force field yields stable DNA duplexes on the 100 ns time scale and satisfactorily reproduces (1) the equilibrium between A and B forms of DNA and (2) transitions between the BI and BII sub-states of B form DNA. Consistency with the gas phase QM data for the model compounds is significantly better for the Drude model as compared to the CHARMM36 additive force field, which is suggested to be due to the improved response of the model to changes in the environment associated with the explicit inclusion of polarizability. Analysis of dipole moments associated with the nucleic acid bases shows the Drude model to have significantly larger values than those present in CHARMM36, with the dipoles of individual bases undergoing significant variations during the MD simulations. Additionally, the dipole moment of water was observed to be perturbed in the grooves of DNA. PMID:24752978

  6. Exploring the Wisdom Structure: Validation of the Spanish New Short Three-Dimensional Wisdom Scale (3D-WS) and Its Explanatory Power on Psychological Health-Related Variables.

    Science.gov (United States)

    García-Campayo, Javier; Del Hoyo, Yolanda L; Barceló-Soler, Alberto; Navarro-Gil, Mayte; Borao, Luis; Giarin, Veronica; Tovar-Garcia, R Raziel; Montero-Marin, Jesus

    2018-01-01

    Introduction: Personal wisdom has demonstrated important implications for the health of individuals. The aim of the present study was to validate a Spanish version of the Three-Dimensional Wisdom Scale (3D-WS), exploring the structure of a possible general factor, and assessing its explanatory power on psychological health-related variables. Methods: A cross-sectional study design was used, with a total sample of 624 Spanish participants recruited on the Internet and randomly split into two halves. The following instruments were applied: 3D-WS, Purpose in Life (PIL), Multidimensional State Boredom Scale (MSBS), Positive and Negative Affect Scale (PANAS), and Difficulties in Emotion Regulation Scale (DERS). Factorial structures were analyzed through exploratory and confirmatory factor analysis (EFA and CFA), and the general factor was characterized by using bifactor models. The explanatory power of the 3D-WS was established by multiple regression. Results: The original long and short versions of the 3D-WS were not replicated in the first subsample using EFA, and there was a high rate of cross-loadings. Thus, a new short 3D-WS was proposed by ordering the original items according to factorial weights. This three-correlated-factor (reflective, cognitive, and affective) proposal was tested by means of CFA in the second subsample, with adequate psychometrics and invariance, and a good fit (χ 2 /df = 1.98; CFI = 0.946; RMSEA = 0.056; 90% CI = 0.040-0.072). A bifactor structure, in which the reflective trait of wisdom was integrated into a general factor (G-Reflective) improved the model fit (χ 2 /df = 1.85; CFI = 0.959; RMSEA = 0.052; 90% CI = 0.035-0.070). The explained common variance of G-Reflective was 0.53; therefore, the new short 3D-WS should not be considered essentially unidimensional. The new short 3D-WS showed positive relationships with the PIL and PANAS-positive, and negative associations with the MSBS, PANAS-negative and DERS, contributing to explain all

  7. Principles of Proper Validation

    DEFF Research Database (Denmark)

    Esbensen, Kim; Geladi, Paul

    2010-01-01

    to suffer from the same deficiencies. The PPV are universal and can be applied to all situations in which the assessment of performance is desired: prediction-, classification-, time series forecasting-, modeling validation. The key element of PPV is the Theory of Sampling (TOS), which allow insight......) is critically necessary for the inclusion of the sampling errors incurred in all 'future' situations in which the validated model must perform. Logically, therefore, all one data set re-sampling approaches for validation, especially cross-validation and leverage-corrected validation, should be terminated...

  8. Site characterization and validation

    International Nuclear Information System (INIS)

    Olsson, O.; Eriksson, J.; Falk, L.; Sandberg, E.

    1988-04-01

    The borehole radar investigation program of the SCV-site (Site Characterization and Validation) has comprised single hole reflection measurements with centre frequencies of 22, 45, and 60 MHz. The radar range obtained in the single hole reflection measurements was approximately 100 m for the lower frequency (22 MHz) and about 60 m for the centre frequency 45 MHz. In the crosshole measurements transmitter-receiver separations from 60 to 200 m have been used. The radar investigations have given a three dimensional description of the structure at the SCV-site. A generalized model of the site has been produced which includes three major zones, four minor zones and a circular feature. These features are considered to be the most significant at the site. Smaller features than the ones included in the generalized model certainly exist but no additional features comparable to the three major zones are thought to exist. The results indicate that the zones are not homogeneous but rather that they are highly irregular containing parts of considerably increased fracturing and parts where their contrast to the background rock is quite small. The zones appear to be approximately planar at least at the scale of the site. At a smaller scale the zones can appear quite irregular. (authors)

  9. Iranian Validation of the Identity Style Inventory

    Science.gov (United States)

    Crocetti, Elisabetta; Shokri, Omid

    2010-01-01

    The purpose of this study was to validate the Iranian version of the Identity Style Inventory (ISI). Participants were 376 (42% males) university students. Confirmatory factor analyses revealed a clear three-factor structure of identity style and a mono-factor structure of commitment in the overall sample as well as in gender subgroups. Convergent…

  10. Validity in Qualitative Evaluation

    OpenAIRE

    Vasco Lub

    2015-01-01

    This article provides a discussion on the question of validity in qualitative evaluation. Although validity in qualitative inquiry has been widely reflected upon in the methodological literature (and is still often subject of debate), the link with evaluation research is underexplored. Elaborating on epistemological and theoretical conceptualizations by Guba and Lincoln and Creswell and Miller, the article explores aspects of validity of qualitative research with the explicit objective of con...

  11. Validation of HEDR models

    International Nuclear Information System (INIS)

    Napier, B.A.; Simpson, J.C.; Eslinger, P.W.; Ramsdell, J.V. Jr.; Thiede, M.E.; Walters, W.H.

    1994-05-01

    The Hanford Environmental Dose Reconstruction (HEDR) Project has developed a set of computer models for estimating the possible radiation doses that individuals may have received from past Hanford Site operations. This document describes the validation of these models. In the HEDR Project, the model validation exercise consisted of comparing computational model estimates with limited historical field measurements and experimental measurements that are independent of those used to develop the models. The results of any one test do not mean that a model is valid. Rather, the collection of tests together provide a level of confidence that the HEDR models are valid

  12. Robust Object Tracking Using Valid Fragments Selection.

    Science.gov (United States)

    Zheng, Jin; Li, Bo; Tian, Peng; Luo, Gang

    Local features are widely used in visual tracking to improve robustness in cases of partial occlusion, deformation and rotation. This paper proposes a local fragment-based object tracking algorithm. Unlike many existing fragment-based algorithms that allocate the weights to each fragment, this method firstly defines discrimination and uniqueness for local fragment, and builds an automatic pre-selection of useful fragments for tracking. Then, a Harris-SIFT filter is used to choose the current valid fragments, excluding occluded or highly deformed fragments. Based on those valid fragments, fragment-based color histogram provides a structured and effective description for the object. Finally, the object is tracked using a valid fragment template combining the displacement constraint and similarity of each valid fragment. The object template is updated by fusing feature similarity and valid fragments, which is scale-adaptive and robust to partial occlusion. The experimental results show that the proposed algorithm is accurate and robust in challenging scenarios.

  13. Validation of simulation models

    DEFF Research Database (Denmark)

    Rehman, Muniza; Pedersen, Stig Andur

    2012-01-01

    In philosophy of science, the interest for computational models and simulations has increased heavily during the past decades. Different positions regarding the validity of models have emerged but the views have not succeeded in capturing the diversity of validation methods. The wide variety...

  14. Model Validation Using Coordinate Distance with Performance Sensitivity

    Directory of Open Access Journals (Sweden)

    Jiann-Shiun Lew

    2008-01-01

    Full Text Available This paper presents an innovative approach to model validation for a structure with significant parameter variations. Model uncertainty of the structural dynamics is quantified with the use of a singular value decomposition technique to extract the principal components of parameter change, and an interval model is generated to represent the system with parameter uncertainty. The coordinate vector, corresponding to the identified principal directions, of the validation system is computed. The coordinate distance between the validation system and the identified interval model is used as a metric for model validation. A beam structure with an attached subsystem, which has significant parameter uncertainty, is used to demonstrate the proposed approach.

  15. Atomic Reference Data for Electronic Structure Calculations

    CERN Document Server

    Kotochigova, S; Shirley, E L

    We have generated data for atomic electronic structure calculations, to provide a standard reference for results of specified accuracy under commonly used approximations. Results are presented here for total energies and orbital energy eigenvalues for all atoms from H to U, at microHartree accuracy in the total energy, as computed in the local-density approximation (LDA) the local-spin-density approximation (LSD); the relativistic local-density approximation (RLDA); and scalar-relativistic local-density approximation (ScRLDA).

  16. Model Validation Status Review

    International Nuclear Information System (INIS)

    E.L. Hardin

    2001-01-01

    The primary objective for the Model Validation Status Review was to perform a one-time evaluation of model validation associated with the analysis/model reports (AMRs) containing model input to total-system performance assessment (TSPA) for the Yucca Mountain site recommendation (SR). This review was performed in response to Corrective Action Request BSC-01-C-01 (Clark 2001, Krisha 2001) pursuant to Quality Assurance review findings of an adverse trend in model validation deficiency. The review findings in this report provide the following information which defines the extent of model validation deficiency and the corrective action needed: (1) AMRs that contain or support models are identified, and conversely, for each model the supporting documentation is identified. (2) The use for each model is determined based on whether the output is used directly for TSPA-SR, or for screening (exclusion) of features, events, and processes (FEPs), and the nature of the model output. (3) Two approaches are used to evaluate the extent to which the validation for each model is compliant with AP-3.10Q (Analyses and Models). The approaches differ in regard to whether model validation is achieved within individual AMRs as originally intended, or whether model validation could be readily achieved by incorporating information from other sources. (4) Recommendations are presented for changes to the AMRs, and additional model development activities or data collection, that will remedy model validation review findings, in support of licensing activities. The Model Validation Status Review emphasized those AMRs that support TSPA-SR (CRWMS M and O 2000bl and 2000bm). A series of workshops and teleconferences was held to discuss and integrate the review findings. The review encompassed 125 AMRs (Table 1) plus certain other supporting documents and data needed to assess model validity. The AMRs were grouped in 21 model areas representing the modeling of processes affecting the natural and

  17. Model Validation Status Review

    Energy Technology Data Exchange (ETDEWEB)

    E.L. Hardin

    2001-11-28

    The primary objective for the Model Validation Status Review was to perform a one-time evaluation of model validation associated with the analysis/model reports (AMRs) containing model input to total-system performance assessment (TSPA) for the Yucca Mountain site recommendation (SR). This review was performed in response to Corrective Action Request BSC-01-C-01 (Clark 2001, Krisha 2001) pursuant to Quality Assurance review findings of an adverse trend in model validation deficiency. The review findings in this report provide the following information which defines the extent of model validation deficiency and the corrective action needed: (1) AMRs that contain or support models are identified, and conversely, for each model the supporting documentation is identified. (2) The use for each model is determined based on whether the output is used directly for TSPA-SR, or for screening (exclusion) of features, events, and processes (FEPs), and the nature of the model output. (3) Two approaches are used to evaluate the extent to which the validation for each model is compliant with AP-3.10Q (Analyses and Models). The approaches differ in regard to whether model validation is achieved within individual AMRs as originally intended, or whether model validation could be readily achieved by incorporating information from other sources. (4) Recommendations are presented for changes to the AMRs, and additional model development activities or data collection, that will remedy model validation review findings, in support of licensing activities. The Model Validation Status Review emphasized those AMRs that support TSPA-SR (CRWMS M&O 2000bl and 2000bm). A series of workshops and teleconferences was held to discuss and integrate the review findings. The review encompassed 125 AMRs (Table 1) plus certain other supporting documents and data needed to assess model validity. The AMRs were grouped in 21 model areas representing the modeling of processes affecting the natural and

  18. Validity in Qualitative Evaluation

    Directory of Open Access Journals (Sweden)

    Vasco Lub

    2015-12-01

    Full Text Available This article provides a discussion on the question of validity in qualitative evaluation. Although validity in qualitative inquiry has been widely reflected upon in the methodological literature (and is still often subject of debate, the link with evaluation research is underexplored. Elaborating on epistemological and theoretical conceptualizations by Guba and Lincoln and Creswell and Miller, the article explores aspects of validity of qualitative research with the explicit objective of connecting them with aspects of evaluation in social policy. It argues that different purposes of qualitative evaluations can be linked with different scientific paradigms and perspectives, thus transcending unproductive paradigmatic divisions as well as providing a flexible yet rigorous validity framework for researchers and reviewers of qualitative evaluations.

  19. Cross validation in LULOO

    DEFF Research Database (Denmark)

    Sørensen, Paul Haase; Nørgård, Peter Magnus; Hansen, Lars Kai

    1996-01-01

    The leave-one-out cross-validation scheme for generalization assessment of neural network models is computationally expensive due to replicated training sessions. Linear unlearning of examples has recently been suggested as an approach to approximative cross-validation. Here we briefly review...... the linear unlearning scheme, dubbed LULOO, and we illustrate it on a systemidentification example. Further, we address the possibility of extracting confidence information (error bars) from the LULOO ensemble....

  20. Verification and validation benchmarks.

    Energy Technology Data Exchange (ETDEWEB)

    Oberkampf, William Louis; Trucano, Timothy Guy

    2007-02-01

    Verification and validation (V&V) are the primary means to assess the accuracy and reliability of computational simulations. V&V methods and procedures have fundamentally improved the credibility of simulations in several high-consequence fields, such as nuclear reactor safety, underground nuclear waste storage, and nuclear weapon safety. Although the terminology is not uniform across engineering disciplines, code verification deals with assessing the reliability of the software coding, and solution verification deals with assessing the numerical accuracy of the solution to a computational model. Validation addresses the physics modeling accuracy of a computational simulation by comparing the computational results with experimental data. Code verification benchmarks and validation benchmarks have been constructed for a number of years in every field of computational simulation. However, no comprehensive guidelines have been proposed for the construction and use of V&V benchmarks. For example, the field of nuclear reactor safety has not focused on code verification benchmarks, but it has placed great emphasis on developing validation benchmarks. Many of these validation benchmarks are closely related to the operations of actual reactors at near-safety-critical conditions, as opposed to being more fundamental-physics benchmarks. This paper presents recommendations for the effective design and use of code verification benchmarks based on manufactured solutions, classical analytical solutions, and highly accurate numerical solutions. In addition, this paper presents recommendations for the design and use of validation benchmarks, highlighting the careful design of building-block experiments, the estimation of experimental measurement uncertainty for both inputs and outputs to the code, validation metrics, and the role of model calibration in validation. It is argued that the understanding of predictive capability of a computational model is built on the level of

  1. Transient FDTD simulation validation

    OpenAIRE

    Jauregui Tellería, Ricardo; Riu Costa, Pere Joan; Silva Martínez, Fernando

    2010-01-01

    In computational electromagnetic simulations, most validation methods have been developed until now to be used in the frequency domain. However, the EMC analysis of the systems in the frequency domain many times is not enough to evaluate the immunity of current communication devices. Based on several studies, in this paper we propose an alternative method of validation of the transients in time domain allowing a rapid and objective quantification of the simulations results.

  2. HEDR model validation plan

    International Nuclear Information System (INIS)

    Napier, B.A.; Gilbert, R.O.; Simpson, J.C.; Ramsdell, J.V. Jr.; Thiede, M.E.; Walters, W.H.

    1993-06-01

    The Hanford Environmental Dose Reconstruction (HEDR) Project has developed a set of computational ''tools'' for estimating the possible radiation dose that individuals may have received from past Hanford Site operations. This document describes the planned activities to ''validate'' these tools. In the sense of the HEDR Project, ''validation'' is a process carried out by comparing computational model predictions with field observations and experimental measurements that are independent of those used to develop the model

  3. Verification and validation benchmarks

    International Nuclear Information System (INIS)

    Oberkampf, William Louis; Trucano, Timothy Guy

    2007-01-01

    Verification and validation (V and V) are the primary means to assess the accuracy and reliability of computational simulations. V and V methods and procedures have fundamentally improved the credibility of simulations in several high-consequence fields, such as nuclear reactor safety, underground nuclear waste storage, and nuclear weapon safety. Although the terminology is not uniform across engineering disciplines, code verification deals with assessing the reliability of the software coding, and solution verification deals with assessing the numerical accuracy of the solution to a computational model. Validation addresses the physics modeling accuracy of a computational simulation by comparing the computational results with experimental data. Code verification benchmarks and validation benchmarks have been constructed for a number of years in every field of computational simulation. However, no comprehensive guidelines have been proposed for the construction and use of V and V benchmarks. For example, the field of nuclear reactor safety has not focused on code verification benchmarks, but it has placed great emphasis on developing validation benchmarks. Many of these validation benchmarks are closely related to the operations of actual reactors at near-safety-critical conditions, as opposed to being more fundamental-physics benchmarks. This paper presents recommendations for the effective design and use of code verification benchmarks based on manufactured solutions, classical analytical solutions, and highly accurate numerical solutions. In addition, this paper presents recommendations for the design and use of validation benchmarks, highlighting the careful design of building-block experiments, the estimation of experimental measurement uncertainty for both inputs and outputs to the code, validation metrics, and the role of model calibration in validation. It is argued that the understanding of predictive capability of a computational model is built on the

  4. Verification and validation benchmarks

    International Nuclear Information System (INIS)

    Oberkampf, William L.; Trucano, Timothy G.

    2008-01-01

    Verification and validation (V and V) are the primary means to assess the accuracy and reliability of computational simulations. V and V methods and procedures have fundamentally improved the credibility of simulations in several high-consequence fields, such as nuclear reactor safety, underground nuclear waste storage, and nuclear weapon safety. Although the terminology is not uniform across engineering disciplines, code verification deals with assessing the reliability of the software coding, and solution verification deals with assessing the numerical accuracy of the solution to a computational model. Validation addresses the physics modeling accuracy of a computational simulation by comparing the computational results with experimental data. Code verification benchmarks and validation benchmarks have been constructed for a number of years in every field of computational simulation. However, no comprehensive guidelines have been proposed for the construction and use of V and V benchmarks. For example, the field of nuclear reactor safety has not focused on code verification benchmarks, but it has placed great emphasis on developing validation benchmarks. Many of these validation benchmarks are closely related to the operations of actual reactors at near-safety-critical conditions, as opposed to being more fundamental-physics benchmarks. This paper presents recommendations for the effective design and use of code verification benchmarks based on manufactured solutions, classical analytical solutions, and highly accurate numerical solutions. In addition, this paper presents recommendations for the design and use of validation benchmarks, highlighting the careful design of building-block experiments, the estimation of experimental measurement uncertainty for both inputs and outputs to the code, validation metrics, and the role of model calibration in validation. It is argued that the understanding of predictive capability of a computational model is built on the

  5. Validation suite for MCNP

    International Nuclear Information System (INIS)

    Mosteller, Russell D.

    2002-01-01

    Two validation suites, one for criticality and another for radiation shielding, have been defined and tested for the MCNP Monte Carlo code. All of the cases in the validation suites are based on experiments so that calculated and measured results can be compared in a meaningful way. The cases in the validation suites are described, and results from those cases are discussed. For several years, the distribution package for the MCNP Monte Carlo code1 has included an installation test suite to verify that MCNP has been installed correctly. However, the cases in that suite have been constructed primarily to test options within the code and to execute quickly. Consequently, they do not produce well-converged answers, and many of them are physically unrealistic. To remedy these deficiencies, sets of validation suites are being defined and tested for specific types of applications. All of the cases in the validation suites are based on benchmark experiments. Consequently, the results from the measurements are reliable and quantifiable, and calculated results can be compared with them in a meaningful way. Currently, validation suites exist for criticality and radiation-shielding applications.

  6. Multi-institutional Quantitative Evaluation and Clinical Validation of Smart Probabilistic Image Contouring Engine (SPICE) Autosegmentation of Target Structures and Normal Tissues on Computer Tomography Images in the Head and Neck, Thorax, Liver, and Male Pelvis Areas

    NARCIS (Netherlands)

    Zhu, Mingyao; Bzdusek, Karl; Brink, Carsten; Eriksen, Jesper Grau; Hansen, Olfred; Jensen, Helle Anita; Gay, Hiram A.; Thorstad, Wade; Widder, Joachim; Brouwer, Charlotte L.; Steenbakkers, Roel J. H. M.; Vanhauten, Hubertus A. M.; Cao, Jeffrey Q.; McBrayne, Gail; Patel, Salil H.; Cannon, Donald M.; Hardcastle, Nicholas; Tome, Wolfgang A.; Guckenberg, Matthias; Parikh, Parag J.

    2013-01-01

    Purpose: Clinical validation and quantitative evaluation of computed tomography (CT) image autosegmentation using Smart Probabilistic Image Contouring Engine (SPICE). Methods and Materials: CT images of 125 treated patients (32 head and neck [HN], 40 thorax, 23 liver, and 30 prostate) in 7

  7. ASTEC validation on PANDA SETH

    International Nuclear Information System (INIS)

    Bentaib, Ahmed; Bleyer, Alexandre; Schwarz, Siegfried

    2009-01-01

    The ASTEC code development by IRSN and GRS is aimed to provide an integral code for the simulation of the whole course of severe accidents in Light-Water Reactors. ASTEC is a complex system of codes for reactor safety assessment. In this validation, only the thermal-hydraulic module of ASTEC code is used. ASTEC is a lumped-parameter code able to represent multi-compartment containments. It uses the following main elements: zones (compartments), junctions (liquids and atmospherics) and structures. The zones are connected by junctions and contain steam, water and non condensable gases. They exchange heat with structures by different heat transfer regimes: convection, radiation and condensation. This paper presents the validation of ASTEC V1.3 on the tests T9 and T9bis, of the PANDA OECD/SETH experimental program, investigating the impact of injection velocity and steam condensation on the plume shape and on the gas distribution. Dedicated meshes were developed to simulate the test facility with the two vessels DW1, DW2 and the interconnection pipe. The obtained numerical results are analyzed and compared to the experiments. The comparison shows a good agreement between experiments and calculations. (author)

  8. Worldwide Protein Data Bank validation information: usage and trends.

    Science.gov (United States)

    Smart, Oliver S; Horský, Vladimír; Gore, Swanand; Svobodová Vařeková, Radka; Bendová, Veronika; Kleywegt, Gerard J; Velankar, Sameer

    2018-03-01

    Realising the importance of assessing the quality of the biomolecular structures deposited in the Protein Data Bank (PDB), the Worldwide Protein Data Bank (wwPDB) partners established Validation Task Forces to obtain advice on the methods and standards to be used to validate structures determined by X-ray crystallography, nuclear magnetic resonance spectroscopy and three-dimensional electron cryo-microscopy. The resulting wwPDB validation pipeline is an integral part of the wwPDB OneDep deposition, biocuration and validation system. The wwPDB Validation Service webserver (https://validate.wwpdb.org) can be used to perform checks prior to deposition. Here, it is shown how validation metrics can be combined to produce an overall score that allows the ranking of macromolecular structures and domains in search results. The ValTrends DB database provides users with a convenient way to access and analyse validation information and other properties of X-ray crystal structures in the PDB, including investigating trends in and correlations between different structure properties and validation metrics.

  9. Validity and reliability of the Structured Clinical Interview for Mood Spectrum: Brazilian version (SCIMOODS-VB Validade e confiabilidade da versão brasileira da Entrevista Clínica Estruturada para o Espectro do Humor (SCIMOODS-VB

    Directory of Open Access Journals (Sweden)

    Roberto Ratzke

    2011-03-01

    Full Text Available OBJECTIVE: The aim of this study was to translate the Structured Clinical Interview for Mood Spectrum into Brazilian Portuguese, measuring its reliability, validity, and defining scores for bipolar disorders. METHOD: Questionnaire was translated (into Brazilian Portuguese and back-translated into English. Sample consisted of 47 subjects with bipolar disorder, 47 with major depressive disorder, 18 with schizophrenia and 22 controls. Inter-rater reliability was tested in 20 subjects with bipolar disorder and MDD. Internal consistency was measured using the Kuder Richardson formula. Forward stepwise discriminant analysis was performed. Scores were compared between groups; manic (M, depressive (D and total (T threshold scores were calculated through receiver operating characteristic (ROC curves. RESULTS: Kuder Richardson coefficients were between 0.86 and 0.94. Intraclass correlation coefficient was 0.96 (CI 95 % 0.93-0.97. Subjects with bipolar disorder had higher M and T, and similar D scores, when compared to major depressive disorder (ANOVA, p OBJETIVO: Traduzir e validar para o português a Entrevista Clínica Estruturada para Distúrbios do Humor, mensurando sua validade, confiabilidade, bem como definindo os escores para transtornos bipolares. MÉTODO: A entrevista foi traduzida (para o português e novamente traduzida para o inglês. A amostra incluiu 47 indivíduos com transtornos bipolares, 47 com transtorno depressivo maior, 18 com esquizofrenia e 22 controles. A confiabilidade entre avaliadores foi testada em 20 indivíduos com transtornos bipolares e transtorno depressivo maior. A consistência interna foi mensurada por meio da fórmula de Kuder Richardson. Análise discriminante foi realizada. Escores dos diversos grupos foram comparados; limiares para mania (M, depressão (D e valores totais foram calculados usando curvas de "receiver operating characteristic" (ROC. RESULTADOS: Coeficientes de Kuder Richardson ficaram entre 0,86 e 0

  10. Containment Code Validation Matrix

    International Nuclear Information System (INIS)

    Chin, Yu-Shan; Mathew, P.M.; Glowa, Glenn; Dickson, Ray; Liang, Zhe; Leitch, Brian; Barber, Duncan; Vasic, Aleks; Bentaib, Ahmed; Journeau, Christophe; Malet, Jeanne; Studer, Etienne; Meynet, Nicolas; Piluso, Pascal; Gelain, Thomas; Michielsen, Nathalie; Peillon, Samuel; Porcheron, Emmanuel; Albiol, Thierry; Clement, Bernard; Sonnenkalb, Martin; Klein-Hessling, Walter; Arndt, Siegfried; Weber, Gunter; Yanez, Jorge; Kotchourko, Alexei; Kuznetsov, Mike; Sangiorgi, Marco; Fontanet, Joan; Herranz, Luis; Garcia De La Rua, Carmen; Santiago, Aleza Enciso; Andreani, Michele; Paladino, Domenico; Dreier, Joerg; Lee, Richard; Amri, Abdallah

    2014-01-01

    The Committee on the Safety of Nuclear Installations (CSNI) formed the CCVM (Containment Code Validation Matrix) task group in 2002. The objective of this group was to define a basic set of available experiments for code validation, covering the range of containment (ex-vessel) phenomena expected in the course of light and heavy water reactor design basis accidents and beyond design basis accidents/severe accidents. It was to consider phenomena relevant to pressurised heavy water reactor (PHWR), pressurised water reactor (PWR) and boiling water reactor (BWR) designs of Western origin as well as of Eastern European VVER types. This work would complement the two existing CSNI validation matrices for thermal hydraulic code validation (NEA/CSNI/R(1993)14) and In-vessel core degradation (NEA/CSNI/R(2001)21). The report initially provides a brief overview of the main features of a PWR, BWR, CANDU and VVER reactors. It also provides an overview of the ex-vessel corium retention (core catcher). It then provides a general overview of the accident progression for light water and heavy water reactors. The main focus is to capture most of the phenomena and safety systems employed in these reactor types and to highlight the differences. This CCVM contains a description of 127 phenomena, broken down into 6 categories: - Containment Thermal-hydraulics Phenomena; - Hydrogen Behaviour (Combustion, Mitigation and Generation) Phenomena; - Aerosol and Fission Product Behaviour Phenomena; - Iodine Chemistry Phenomena; - Core Melt Distribution and Behaviour in Containment Phenomena; - Systems Phenomena. A synopsis is provided for each phenomenon, including a description, references for further information, significance for DBA and SA/BDBA and a list of experiments that may be used for code validation. The report identified 213 experiments, broken down into the same six categories (as done for the phenomena). An experiment synopsis is provided for each test. Along with a test description

  11. Groundwater Model Validation

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed E. Hassan

    2006-01-24

    Models have an inherent uncertainty. The difficulty in fully characterizing the subsurface environment makes uncertainty an integral component of groundwater flow and transport models, which dictates the need for continuous monitoring and improvement. Building and sustaining confidence in closure decisions and monitoring networks based on models of subsurface conditions require developing confidence in the models through an iterative process. The definition of model validation is postulated as a confidence building and long-term iterative process (Hassan, 2004a). Model validation should be viewed as a process not an end result. Following Hassan (2004b), an approach is proposed for the validation process of stochastic groundwater models. The approach is briefly summarized herein and detailed analyses of acceptance criteria for stochastic realizations and of using validation data to reduce input parameter uncertainty are presented and applied to two case studies. During the validation process for stochastic models, a question arises as to the sufficiency of the number of acceptable model realizations (in terms of conformity with validation data). Using a hierarchical approach to make this determination is proposed. This approach is based on computing five measures or metrics and following a decision tree to determine if a sufficient number of realizations attain satisfactory scores regarding how they represent the field data used for calibration (old) and used for validation (new). The first two of these measures are applied to hypothetical scenarios using the first case study and assuming field data consistent with the model or significantly different from the model results. In both cases it is shown how the two measures would lead to the appropriate decision about the model performance. Standard statistical tests are used to evaluate these measures with the results indicating they are appropriate measures for evaluating model realizations. The use of validation

  12. Validation of Serious Games

    Directory of Open Access Journals (Sweden)

    Katinka van der Kooij

    2015-09-01

    Full Text Available The application of games for behavioral change has seen a surge in popularity but evidence on the efficacy of these games is contradictory. Anecdotal findings seem to confirm their motivational value whereas most quantitative findings from randomized controlled trials (RCT are negative or difficult to interpret. One cause for the contradictory evidence could be that the standard RCT validation methods are not sensitive to serious games’ effects. To be able to adapt validation methods to the properties of serious games we need a framework that can connect properties of serious game design to the factors that influence the quality of quantitative research outcomes. The Persuasive Game Design model [1] is particularly suitable for this aim as it encompasses the full circle from game design to behavioral change effects on the user. We therefore use this model to connect game design features, such as the gamification method and the intended transfer effect, to factors that determine the conclusion validity of an RCT. In this paper we will apply this model to develop guidelines for setting up validation methods for serious games. This way, we offer game designers and researchers handles on how to develop tailor-made validation methods.

  13. Validation of the Organizational Culture Assessment Instrument

    Science.gov (United States)

    Heritage, Brody; Pollock, Clare; Roberts, Lynne

    2014-01-01

    Organizational culture is a commonly studied area in industrial/organizational psychology due to its important role in workplace behaviour, cognitions, and outcomes. Jung et al.'s [1] review of the psychometric properties of organizational culture measurement instruments noted many instruments have limited validation data despite frequent use in both theoretical and applied situations. The Organizational Culture Assessment Instrument (OCAI) has had conflicting data regarding its psychometric properties, particularly regarding its factor structure. Our study examined the factor structure and criterion validity of the OCAI using robust analysis methods on data gathered from 328 (females = 226, males = 102) Australian employees. Confirmatory factor analysis supported a four factor structure of the OCAI for both ideal and current organizational culture perspectives. Current organizational culture data demonstrated expected reciprocally-opposed relationships between three of the four OCAI factors and the outcome variable of job satisfaction but ideal culture data did not, thus indicating possible weak criterion validity when the OCAI is used to assess ideal culture. Based on the mixed evidence regarding the measure's properties, further examination of the factor structure and broad validity of the measure is encouraged. PMID:24667839

  14. Validation of the Drinking Motives Questionnaire

    DEFF Research Database (Denmark)

    Fernandes-Jesus, Maria; Beccaria, Franca; Demant, Jakob Johan

    2016-01-01

    • This paper assesses the validity of the DMQ-R (Cooper, 1994) among university students in six different European countries. • Results provide support for similar DMQ-R factor structures across countries. • Drinking motives have similar meanings among European university students....

  15. Validation of the regional authority index

    NARCIS (Netherlands)

    Schakel, A.H.

    2008-01-01

    This article validates the Regional Authority Index (RAI) with seven widely used decentralization indices in the literature. A principal axis analysis reveals a common structure. The major source of disagreement between the RAI and the other indices stems from the fact that the RAI does not include

  16. Validation of the organizational culture assessment instrument.

    Directory of Open Access Journals (Sweden)

    Brody Heritage

    Full Text Available Organizational culture is a commonly studied area in industrial/organizational psychology due to its important role in workplace behaviour, cognitions, and outcomes. Jung et al.'s [1] review of the psychometric properties of organizational culture measurement instruments noted many instruments have limited validation data despite frequent use in both theoretical and applied situations. The Organizational Culture Assessment Instrument (OCAI has had conflicting data regarding its psychometric properties, particularly regarding its factor structure. Our study examined the factor structure and criterion validity of the OCAI using robust analysis methods on data gathered from 328 (females = 226, males = 102 Australian employees. Confirmatory factor analysis supported a four factor structure of the OCAI for both ideal and current organizational culture perspectives. Current organizational culture data demonstrated expected reciprocally-opposed relationships between three of the four OCAI factors and the outcome variable of job satisfaction but ideal culture data did not, thus indicating possible weak criterion validity when the OCAI is used to assess ideal culture. Based on the mixed evidence regarding the measure's properties, further examination of the factor structure and broad validity of the measure is encouraged.

  17. Checklists for external validity

    DEFF Research Database (Denmark)

    Dyrvig, Anne-Kirstine; Kidholm, Kristian; Gerke, Oke

    2014-01-01

    to an implementation setting. In this paper, currently available checklists on external validity are identified, assessed and used as a basis for proposing a new improved instrument. METHOD: A systematic literature review was carried out in Pubmed, Embase and Cinahl on English-language papers without time restrictions....... The retrieved checklist items were assessed for (i) the methodology used in primary literature, justifying inclusion of each item; and (ii) the number of times each item appeared in checklists. RESULTS: Fifteen papers were identified, presenting a total of 21 checklists for external validity, yielding a total...... of 38 checklist items. Empirical support was considered the most valid methodology for item inclusion. Assessment of methodological justification showed that none of the items were supported empirically. Other kinds of literature justified the inclusion of 22 of the items, and 17 items were included...

  18. Shift Verification and Validation

    Energy Technology Data Exchange (ETDEWEB)

    Pandya, Tara M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Evans, Thomas M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Davidson, Gregory G [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Johnson, Seth R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Godfrey, Andrew T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-09-07

    This documentation outlines the verification and validation of Shift for the Consortium for Advanced Simulation of Light Water Reactors (CASL). Five main types of problems were used for validation: small criticality benchmark problems; full-core reactor benchmarks for light water reactors; fixed-source coupled neutron-photon dosimetry benchmarks; depletion/burnup benchmarks; and full-core reactor performance benchmarks. We compared Shift results to measured data and other simulated Monte Carlo radiation transport code results, and found very good agreement in a variety of comparison measures. These include prediction of critical eigenvalue, radial and axial pin power distributions, rod worth, leakage spectra, and nuclide inventories over a burn cycle. Based on this validation of Shift, we are confident in Shift to provide reference results for CASL benchmarking.

  19. Validation of Yoon's Critical Thinking Disposition Instrument.

    Science.gov (United States)

    Shin, Hyunsook; Park, Chang Gi; Kim, Hyojin

    2015-12-01

    The lack of reliable and valid evaluation tools targeting Korean nursing students' critical thinking (CT) abilities has been reported as one of the barriers to instructing and evaluating students in undergraduate programs. Yoon's Critical Thinking Disposition (YCTD) instrument was developed for Korean nursing students, but few studies have assessed its validity. This study aimed to validate the YCTD. Specifically, the YCTD was assessed to identify its cross-sectional and longitudinal measurement invariance. This was a validation study in which a cross-sectional and longitudinal (prenursing and postnursing practicum) survey was used to validate the YCTD using 345 nursing students at three universities in Seoul, Korea. The participants' CT abilities were assessed using the YCTD before and after completing an established pediatric nursing practicum. The validity of the YCTD was estimated and then group invariance test using multigroup confirmatory factor analysis was performed to confirm the measurement compatibility of multigroups. A test of the seven-factor model showed that the YCTD demonstrated good construct validity. Multigroup confirmatory factor analysis findings for the measurement invariance suggested that this model structure demonstrated strong invariance between groups (i.e., configural, factor loading, and intercept combined) but weak invariance within a group (i.e., configural and factor loading combined). In general, traditional methods for assessing instrument validity have been less than thorough. In this study, multigroup confirmatory factor analysis using cross-sectional and longitudinal measurement data allowed validation of the YCTD. This study concluded that the YCTD can be used for evaluating Korean nursing students' CT abilities. Copyright © 2015. Published by Elsevier B.V.

  20. Validating Animal Models

    Directory of Open Access Journals (Sweden)

    Nina Atanasova

    2015-06-01

    Full Text Available In this paper, I respond to the challenge raised against contemporary experimental neurobiology according to which the field is in a state of crisis because of the multiple experimental protocols employed in different laboratories and strengthening their reliability that presumably preclude the validity of neurobiological knowledge. I provide an alternative account of experimentation in neurobiology which makes sense of its experimental practices. I argue that maintaining a multiplicity of experimental protocols and strengthening their reliability are well justified and they foster rather than preclude the validity of neurobiological knowledge. Thus, their presence indicates thriving rather than crisis of experimental neurobiology.

  1. Validation Process Methods

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, John E. [National Renewable Energy Lab. (NREL), Golden, CO (United States); English, Christine M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Gesick, Joshua C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mukkamala, Saikrishna [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2018-01-04

    This report documents the validation process as applied to projects awarded through Funding Opportunity Announcements (FOAs) within the U.S. Department of Energy Bioenergy Technologies Office (DOE-BETO). It describes the procedures used to protect and verify project data, as well as the systematic framework used to evaluate and track performance metrics throughout the life of the project. This report also describes the procedures used to validate the proposed process design, cost data, analysis methodologies, and supporting documentation provided by the recipients.

  2. The dialogic validation

    DEFF Research Database (Denmark)

    Musaeus, Peter

    2005-01-01

    This paper is inspired by dialogism and the title is a paraphrase on Bakhtin's (1981) "The Dialogic Imagination". The paper investigates how dialogism can inform the process of validating inquiry-based qualitative research. The paper stems from a case study on the role of recognition...

  3. A valid licence

    NARCIS (Netherlands)

    Spoolder, H.A.M.; Ingenbleek, P.T.M.

    2010-01-01

    A valid licence Tuesday, April 20, 2010 Dr Hans Spoolder and Dr Paul Ingenbleek, of Wageningen University and Research Centres, share their thoughts on improving farm animal welfare in Europe At the presentation of the European Strategy 2020 on 3rd March, President Barroso emphasised the need for

  4. The Chimera of Validity

    Science.gov (United States)

    Baker, Eva L.

    2013-01-01

    Background/Context: Education policy over the past 40 years has focused on the importance of accountability in school improvement. Although much of the scholarly discourse around testing and assessment is technical and statistical, understanding of validity by a non-specialist audience is essential as long as test results drive our educational…

  5. Validating year 2000 compliance

    NARCIS (Netherlands)

    A. van Deursen (Arie); P. Klint (Paul); M.P.A. Sellink

    1997-01-01

    textabstractValidating year 2000 compliance involves the assessment of the correctness and quality of a year 2000 conversion. This entails inspecting both the quality of the conversion emph{process followed, and of the emph{result obtained, i.e., the converted system. This document provides an

  6. Validation and test report

    DEFF Research Database (Denmark)

    Pedersen, Jens Meldgaard; Andersen, T. Bull

    2012-01-01

    . As a consequence of extensive movement artefacts seen during dynamic contractions, the following validation and test report consists of a report that investigates the physiological responses to a static contraction in a standing and a supine position. Eight subjects performed static contractions of the ankle...

  7. Statistical Analysis and validation

    NARCIS (Netherlands)

    Hoefsloot, H.C.J.; Horvatovich, P.; Bischoff, R.

    2013-01-01

    In this chapter guidelines are given for the selection of a few biomarker candidates from a large number of compounds with a relative low number of samples. The main concepts concerning the statistical validation of the search for biomarkers are discussed. These complicated methods and concepts are

  8. Validity and Fairness

    Science.gov (United States)

    Kane, Michael

    2010-01-01

    This paper presents the author's critique on Xiaoming Xi's article, "How do we go about investigating test fairness?," which lays out a broad framework for studying fairness as comparable validity across groups within the population of interest. Xi proposes to develop a fairness argument that would identify and evaluate potential fairness-based…

  9. Establishing model credibility involves more than validation

    International Nuclear Information System (INIS)

    Kirchner, T.

    1991-01-01

    One widely used definition of validation is that the quantitative test of the performance of a model through the comparison of model predictions to independent sets of observations from the system being simulated. The ability to show that the model predictions compare well with observations is often thought to be the most rigorous test that can be used to establish credibility for a model in the scientific community. However, such tests are only part of the process used to establish credibility, and in some cases may be either unnecessary or misleading. Naylor and Finger extended the concept of validation to include the establishment of validity for the postulates embodied in the model and the test of assumptions used to select postulates for the model. Validity of postulates is established through concurrence by experts in the field of study that the mathematical or conceptual model contains the structural components and mathematical relationships necessary to adequately represent the system with respect to the goals for the model. This extended definition of validation provides for consideration of the structure of the model, not just its performance, in establishing credibility. Evaluation of a simulation model should establish the correctness of the code and the efficacy of the model within its domain of applicability. (24 refs., 6 figs.)

  10. EOS Terra Validation Program

    Science.gov (United States)

    Starr, David

    2000-01-01

    The EOS Terra mission will be launched in July 1999. This mission has great relevance to the atmospheric radiation community and global change issues. Terra instruments include Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), Clouds and Earth's Radiant Energy System (CERES), Multi-Angle Imaging Spectroradiometer (MISR), Moderate Resolution Imaging Spectroradiometer (MODIS) and Measurements of Pollution in the Troposphere (MOPITT). In addition to the fundamental radiance data sets, numerous global science data products will be generated, including various Earth radiation budget, cloud and aerosol parameters, as well as land surface, terrestrial ecology, ocean color, and atmospheric chemistry parameters. Significant investments have been made in on-board calibration to ensure the quality of the radiance observations. A key component of the Terra mission is the validation of the science data products. This is essential for a mission focused on global change issues and the underlying processes. The Terra algorithms have been subject to extensive pre-launch testing with field data whenever possible. Intensive efforts will be made to validate the Terra data products after launch. These include validation of instrument calibration (vicarious calibration) experiments, instrument and cross-platform comparisons, routine collection of high quality correlative data from ground-based networks, such as AERONET, and intensive sites, such as the SGP ARM site, as well as a variety field experiments, cruises, etc. Airborne simulator instruments have been developed for the field experiment and underflight activities including the MODIS Airborne Simulator (MAS) AirMISR, MASTER (MODIS-ASTER), and MOPITT-A. All are integrated on the NASA ER-2 though low altitude platforms are more typically used for MASTER. MATR is an additional sensor used for MOPITT algorithm development and validation. The intensive validation activities planned for the first year of the Terra

  11. Seismic Data Gathering and Validation

    Energy Technology Data Exchange (ETDEWEB)

    Coleman, Justin [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-02-01

    Three recent earthquakes in the last seven years have exceeded their design basis earthquake values (so it is implied that damage to SSC’s should have occurred). These seismic events were recorded at North Anna (August 2011, detailed information provided in [Virginia Electric and Power Company Memo]), Fukushima Daichii and Daini (March 2011 [TEPCO 1]), and Kaswazaki-Kariwa (2007, [TEPCO 2]). However, seismic walk downs at some of these plants indicate that very little damage occurred to safety class systems and components due to the seismic motion. This report presents seismic data gathered for two of the three events mentioned above and recommends a path for using that data for two purposes. One purpose is to determine what margins exist in current industry standard seismic soil-structure interaction (SSI) tools. The second purpose is the use the data to validated seismic site response tools and SSI tools. The gathered data represents free field soil and in-structure acceleration time histories data. Gathered data also includes elastic and dynamic soil properties and structural drawings. Gathering data and comparing with existing models has potential to identify areas of uncertainty that should be removed from current seismic analysis and SPRA approaches. Removing uncertainty (to the extent possible) from SPRA’s will allow NPP owners to make decisions on where to reduce risk. Once a realistic understanding of seismic response is established for a nuclear power plant (NPP) then decisions on needed protective measures, such as SI, can be made.

  12. Vfold: a web server for RNA structure and folding thermodynamics prediction.

    Science.gov (United States)

    Xu, Xiaojun; Zhao, Peinan; Chen, Shi-Jie

    2014-01-01

    The ever increasing discovery of non-coding RNAs leads to unprecedented demand for the accurate modeling of RNA folding, including the predictions of two-dimensional (base pair) and three-dimensional all-atom structures and folding stabilities. Accurate modeling of RNA structure and stability has far-reaching impact on our understanding of RNA functions in human health and our ability to design RNA-based therapeutic strategies. The Vfold server offers a web interface to predict (a) RNA two-dimensional structure from the nucleotide sequence, (b) three-dimensional structure from the two-dimensional structure and the sequence, and (c) folding thermodynamics (heat capacity melting curve) from the sequence. To predict the two-dimensional structure (base pairs), the server generates an ensemble of structures, including loop structures with the different intra-loop mismatches, and evaluates the free energies using the experimental parameters for the base stacks and the loop entropy parameters given by a coarse-grained RNA folding model (the Vfold model) for the loops. To predict the three-dimensional structure, the server assembles the motif scaffolds using structure templates extracted from the known PDB structures and refines the structure using all-atom energy minimization. The Vfold-based web server provides a user friendly tool for the prediction of RNA structure and stability. The web server and the source codes are freely accessible for public use at "http://rna.physics.missouri.edu".

  13. Expert system validation in prolog

    Science.gov (United States)

    Stock, Todd; Stachowitz, Rolf; Chang, Chin-Liang; Combs, Jacqueline

    1988-01-01

    An overview of the Expert System Validation Assistant (EVA) is being implemented in Prolog at the Lockheed AI Center. Prolog was chosen to facilitate rapid prototyping of the structure and logic checkers and since February 1987, we have implemented code to check for irrelevance, subsumption, duplication, deadends, unreachability, and cycles. The architecture chosen is extremely flexible and expansible, yet concise and complementary with the normal interactive style of Prolog. The foundation of the system is in the connection graph representation. Rules and facts are modeled as nodes in the graph and arcs indicate common patterns between rules. The basic activity of the validation system is then a traversal of the connection graph, searching for various patterns the system recognizes as erroneous. To aid in specifying these patterns, a metalanguage is developed, providing the user with the basic facilities required to reason about the expert system. Using the metalanguage, the user can, for example, give the Prolog inference engine the goal of finding inconsistent conclusions among the rules, and Prolog will search the graph intantiations which can match the definition of inconsistency. Examples of code for some of the checkers are provided and the algorithms explained. Technical highlights include automatic construction of a connection graph, demonstration of the use of metalanguage, the A* algorithm modified to detect all unique cycles, general-purpose stacks in Prolog, and a general-purpose database browser with pattern completion.

  14. Development and validation of the Alcohol Myopia Scale.

    Science.gov (United States)

    Lac, Andrew; Berger, Dale E

    2013-09-01

    Alcohol myopia theory conceptualizes the ability of alcohol to narrow attention and how this demand on mental resources produces the impairments of self-inflation, relief, and excess. The current research was designed to develop and validate a scale based on this framework. People who were alcohol users rated items representing myopic experiences arising from drinking episodes in the past month. In Study 1 (N = 260), the preliminary 3-factor structure was supported by exploratory factor analysis. In Study 2 (N = 289), the 3-factor structure was substantiated with confirmatory factor analysis, and it was superior in fit to an empirically indefensible 1-factor structure. The final 14-item scale was evaluated with internal consistency reliability, discriminant validity, convergent validity, criterion validity, and incremental validity. The alcohol myopia scale (AMS) illuminates conceptual underpinnings of this theory and yields insights for understanding the tunnel vision that arises from intoxication.

  15. Validation