WorldWideScience

Sample records for all-atom structure validation

  1. A Real-Time All-Atom Structural Search Engine for Proteins

    OpenAIRE

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

    2014-01-01

    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 “designabilit...

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

    Directory of Open Access Journals (Sweden)

    Gabriel Gonzalez

    2014-07-01

    Full Text Available 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. Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field

    Directory of Open Access Journals (Sweden)

    Gront Dominik

    2007-06-01

    Full Text Available Abstract Background Although experimental methods for determining protein structure are providing high resolution structures, they cannot keep the pace at which amino acid sequences are resolved on the scale of entire genomes. For a considerable fraction of proteins whose structures will not be determined experimentally, computational methods can provide valuable information. The value of structural models in biological research depends critically on their quality. Development of high-accuracy computational methods that reliably generate near-experimental quality structural models is an important, unsolved problem in the protein structure modeling. Results Large sets of structural decoys have been generated using reduced conformational space protein modeling tool CABS. Subsequently, the reduced models were subject to all-atom reconstruction. Then, the resulting detailed models were energy-minimized using state-of-the-art all-atom force field, assuming fixed positions of the alpha carbons. It has been shown that a very short minimization leads to the proper ranking of the quality of the models (distance from the native structure, when the all-atom energy is used as the ranking criterion. Additionally, we performed test on medium and low accuracy decoys built via classical methods of comparative modeling. The test placed our model evaluation procedure among the state-of-the-art protein model assessment methods. Conclusion These test computations show that a large scale high resolution protein structure prediction is possible, not only for small but also for large protein domains, and that it should be based on a hierarchical approach to the modeling protocol. We employed Molecular Mechanics with fixed alpha carbons to rank-order the all-atom models built on the scaffolds of the reduced models. Our tests show that a physic-based approach, usually considered computationally too demanding for large-scale applications, can be effectively used in such

  4. All-Atom Structural Models of the Transmembrane Domains of Insulin and Type 1 Insulin-Like Growth Factor Receptors

    Science.gov (United States)

    Mohammadiarani, Hossein; Vashisth, Harish

    2016-01-01

    The receptor tyrosine kinase superfamily comprises many cell-surface receptors including the insulin receptor (IR) and type 1 insulin-like growth factor receptor (IGF1R) that are constitutively homodimeric transmembrane glycoproteins. Therefore, these receptors require ligand-triggered domain rearrangements rather than receptor dimerization for activation. Specifically, binding of peptide ligands to receptor ectodomains transduces signals across the transmembrane domains for trans-autophosphorylation in cytoplasmic kinase domains. The molecular details of these processes are poorly understood in part due to the absence of structures of full-length receptors. Using MD simulations and enhanced conformational sampling algorithms, we present all-atom structural models of peptides containing 51 residues from the transmembrane and juxtamembrane regions of IR and IGF1R. In our models, the transmembrane regions of both receptors adopt helical conformations with kinks at Pro961 (IR) and Pro941 (IGF1R), but the C-terminal residues corresponding to the juxtamembrane region of each receptor adopt unfolded and flexible conformations in IR as opposed to a helix in IGF1R. We also observe that the N-terminal residues in IR form a kinked-helix sitting at the membrane–solvent interface, while homologous residues in IGF1R are unfolded and flexible. These conformational differences result in a larger tilt-angle of the membrane-embedded helix in IGF1R in comparison to IR to compensate for interactions with water molecules at the membrane–solvent interfaces. Our metastable/stable states for the transmembrane domain of IR, observed in a lipid bilayer, are consistent with a known NMR structure of this domain determined in detergent micelles, and similar states in IGF1R are consistent with a previously reported model of the dimerized transmembrane domains of IGF1R. Our all-atom structural models suggest potentially unique structural organization of kinase domains in each receptor. PMID

  5. An all-atom model of the chromatin fiber containing linker histones reveals a versatile structure tuned by the nucleosomal repeat length.

    Directory of Open Access Journals (Sweden)

    Hua Wong

    Full Text Available In the nucleus of eukaryotic cells, histone proteins organize the linear genome into a functional and hierarchical architecture. In this paper, we use the crystal structures of the nucleosome core particle, B-DNA and the globular domain of H5 linker histone to build the first all-atom model of compact chromatin fibers. In this 3D jigsaw puzzle, DNA bending is achieved by solving an inverse kinematics problem. Our model is based on recent electron microscopy measurements of reconstituted fiber dimensions. Strikingly, we find that the chromatin fiber containing linker histones is a polymorphic structure. We show that different fiber conformations are obtained by tuning the linker histone orientation at the nucleosomes entry/exit according to the nucleosomal repeat length. We propose that the observed in vivo quantization of nucleosomal repeat length could reflect nature's ability to use the DNA molecule's helical geometry in order to give chromatin versatile topological and mechanical properties.

  6. Systematic Assessment of the Effects of an All-Atom Force Field and the Implicit Solvent Model on the Refinement of NMR Structures with Subsets of Distance Restraints

    International Nuclear Information System (INIS)

    Employment of a time consuming, sophisticated calculation using the all-atom force field and generalized-Born implicit solvent model (GBIS) for refinement of NMR structures has become practical through advances in computational methods and capacities. GBIS refinement improves the qualities of the resulting NMR structures with reduced computational times. However, the contribution of GBIS to NMR structures has not been sufficiently studied in a quantitative way. In this paper, we report the effects of GBIS on the refined NMR structures of ubiquitin (UBQ) and GB1 with subsets of distance restraints derived from experimental data. Random omission prepared a series of distance restraints 0.05, 0.1, 0.3, 0.5, and 0.7 times smaller. For each number, we produced five different restraints for statistical analysis. We then recalculated the NMR structures using CYANA software, followed by GBIS refinements using the AMBER package. GBIS improved both the precision and accuracy of all the structures, but to varied levels. The degrees of improvement were significant when the input restraints were insufficient. In particular, GBIS enabled GB1 to form an accurate structure even with distance restraints of 5%, revealing that the root-mean-square deviation was less than 1 A from the X-ray backbone structure. We also showed that the efficiency of searching the conformational space was more important for finding accurate structures with the calculation of UBQ with 5% distance restraints than the number of conformations generated. Our data will provide a meaningful guideline to judge and compare the structural improvements by GBIS

  7. Structure validation in chemical crystallography.

    Science.gov (United States)

    Spek, Anthony L

    2009-02-01

    Automated structure validation was introduced in chemical crystallography about 12 years ago as a tool to assist practitioners with the exponential growth in crystal structure analyses. Validation has since evolved into an easy-to-use checkCIF/PLATON web-based IUCr service. The result of a crystal structure determination has to be supplied as a CIF-formatted computer-readable file. The checking software tests the data in the CIF for completeness, quality and consistency. In addition, the reported structure is checked for incomplete analysis, errors in the analysis and relevant issues to be verified. A validation report is generated in the form of a list of ALERTS on the issues to be corrected, checked or commented on. Structure validation has largely eliminated obvious problems with structure reports published in IUCr journals, such as refinement in a space group of too low symmetry. This paper reports on the current status of structure validation and possible future extensions.

  8. Protein simulations combining an all-atom force field with a Go term

    International Nuclear Information System (INIS)

    Using a variant of parallel tempering, we study the changes in sampling within a simulation, when the all-atom model is coupled to a Go-like potential. We find that the native structure is not the lowest-energy configuration in the all-atom force field. Adding a Go term deforms the energy landscape in such a way that the native configuration becomes the global minimum but does not lead to faster thermalization

  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. 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

    We report parametrization of dipalmitoyl-phosphatidylcholine (DPPC) in the framework of the Optimized Parameters for Liquid Simulations all-atom (OPLS-AA) force field. We chose DPPC as it is one of the most studied phospholipid species and thus has plenty of experimental data necessary for model...... 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...

  11. Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics

    CERN Document Server

    Wabik, Jacek; Gront, Dominik; Kouza, Maksim; Kolinski, Andrzej

    2013-01-01

    We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a model system of protein folding. After reconstructing atomistic details, conformations derived from the CABS simulation were subjected to replica-exchange molecular dynamics simulations with OPLS-AA and AMBER99sb force fields in explicit solvent. Such a combination accelerates system convergence several times in comparison with all-atom simulations starting from the extended chain conformation, demonstrated by the analysis of melting curves, the number of native-like conformations as a function of time and secondary structure propagation. The results strongly suggest that the proposed multiscale method could be an efficient and accurate tool for high-resolution studies of protein folding dynamics in larger systems.

  12. 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.

  13. 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.

  14. Seismic depth conversion vs. structural validation

    Science.gov (United States)

    Totake, Yukitsugu; Butler, Rob; Bond, Clare

    2016-04-01

    Interpretation based on seismic reflection data is inherently an uncertain product based on imperfect datasets, with limits in data resolution and spatial extent. This has boosted geologists to use structural validation techniques to verify their seismic interpretations for many years. Structural validation of seismic interpretations should be ideally completed on depth sections, which are converted from time domain using velocities derived from well checkshot survey, seismic velocity analysis, or even estimates. Choices of velocity model critically control the final depth image and hence structural geometry of interpretations that are used as initial datasets for structural validations. However, the depth conversion is never perfectly accurate because of absence of depth constraint. Now, how robust are structural validation techniques to depth conversion uncertainty? Here we explore how structural validation techniques respond to different versions of depth interpretations converted by different velocities. We use a seismic time-based image of a fold-thrust structure in the deepwater Niger Delta to interpret, and convert to depth using three different velocity models: constant velocity (VM1); a single layer having initial velocity v0 at layer top with vertical velocity gradient k (VM2); and three layers having each v0-k set (VM3) below seabed. Forward modelling, automated trishear modelling algorithm called 'inverse trishear modelling' and Groshong's area-depth-strain (ADS) methods are applied to test the structural geometry of the depth-converted interpretations. We find forward modelling and inverse trishear modelling reasonably 'fit' all versions of interpretation, regardless of the velocity model used for depth conversion, with multiple sets of model parameters. On the other hand, only velocity model VM3 'passes' the ADS validation method, with the detachment level interpreted concordant with the depth estimated from excess area analysis, based on interpreted

  15. Predicting Transcription Factor Specificity with All-Atom Models

    CERN Document Server

    Rahi, Sahand Jamal; Mirny, Leonid A; Kardar, Mehran

    2008-01-01

    The binding of a transcription factor (TF) to a DNA operator site can initiate or repress the expression of a gene. Computational prediction of sites recognized by a TF has traditionally relied upon knowledge of several cognate sites, rather than an ab initio approach. Here, we examine the possibility of using structure-based energy calculations that require no knowledge of bound sites but rather start with the structure of a protein-DNA complex. We study the PurR E. coli TF, and explore to which extent atomistic models of protein-DNA complexes can be used to distinguish between cognate and non-cognate DNA sites. Particular emphasis is placed on systematic evaluation of this approach by comparing its performance with bioinformatic methods, by testing it against random decoys and sites of homologous TFs. We also examine a set of experimental mutations in both DNA and the protein. Using our explicit estimates of energy, we show that the specificity for PurR is dominated by direct protein-DNA interactions, and w...

  16. 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

    2016-06-24

    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.

  17. RNABC: forward kinematics to reduce all-atom steric clashes in RNA backbone.

    Science.gov (United States)

    Wang, Xueyi; Kapral, Gary; Murray, Laura; Richardson, David; Richardson, Jane; Snoeyink, Jack

    2008-01-01

    Although accurate details in RNA structure are of great importance for understanding RNA function, the backbone conformation is difficult to determine, and most existing RNA structures show serious steric clashes (>or= 0.4 A overlap) when hydrogen atoms are taken into account. We have developed a program called RNABC (RNA Backbone Correction) that performs local perturbations to search for alternative conformations that avoid those steric clashes or other local geometry problems. Its input is an all-atom coordinate file for an RNA crystal structure (usually from the MolProbity web service), with problem areas specified. RNABC rebuilds a suite (the unit from sugar to sugar) by anchoring the phosphorus and base positions, which are clearest in crystallographic electron density, and reconstructing the other atoms using forward kinematics. Geometric parameters are constrained within user-specified tolerance of canonical or original values, and torsion angles are constrained to ranges defined through empirical database analyses. Several optimizations reduce the time required to search the many possible conformations. The output results are clustered and presented to the user, who can choose whether to accept one of the alternative conformations. Two test evaluations show the effectiveness of RNABC, first on the S-motifs from 42 RNA structures, and second on the worst problem suites (clusters of bad clashes, or serious sugar pucker outliers) in 25 unrelated RNA structures. Among the 101 S-motifs, 88 had diagnosed problems, and RNABC produced clash-free conformations with acceptable geometry for 71 of those (about 80%). For the 154 worst problem suites, RNABC proposed alternative conformations for 72. All but 8 of those were judged acceptable after examining electron density (where available) and local conformation. Thus, even for these worst cases, nearly half the time RNABC suggested corrections suitable to initiate further crystallographic refinement. The program is

  18. All-atom molecular dynamics studies of the full-length {beta}-amyloid peptides

    Energy Technology Data Exchange (ETDEWEB)

    Luttmann, Edgar [Department of Chemistry, Faculty of Science, University of Paderborn, Warburgerstr. 100, 33098 Paderborn (Germany); Fels, Gregor [Department of Chemistry, Faculty of Science, University of Paderborn, Warburgerstr. 100, 33098 Paderborn (Germany)], E-mail: fels@uni-paderborn.de

    2006-03-31

    {beta}-Amyloid peptides are believed to play an essential role in Alzheimer's disease (AD), due to their sedimentation in the form of {beta}-amyloid aggregates in the brain of AD-patients, and the in vitro neurotoxicity of oligomeric aggregates. The monomeric peptides come in different lengths of 39-43 residues, of which the 42 alloform seems to be most strongly associated with AD-symptoms. Structural information on these peptides to date comes from NMR studies in acidic solutions, organic solvents, or on shorter fragments of the peptide. In addition X-ray and solid-state NMR investigations of amyloid fibrils yield insight into the structure of the final aggregate and therefore define the endpoint of any conformational change of an A{beta}-monomer along the aggregation process. The conformational changes necessary to connect the experimentally known conformations are not yet understood and this process is an active field of research. In this paper, we report results from all-atom molecular dynamics simulations based on experimental data from four different peptides of 40 amino acids and two peptides consisting of 42 amino acids. The simulations allow for the analysis of intramolecular interactions and the role of structural features. In particular, they show the appearance of {beta}-turn in the region between amino acid 21 and 33, forming a hook-like shape as it is known to exist in the fibrillar A{beta}-structures. This folding does not depend on the formation of a salt bridge between Asp-23 and Lys-28 but requires the A{beta}(1-42) as such structure was not observed in the shorter system A{beta}(1-40)

  19. 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.

  20. Deriving Coarse-Grained Charges from All-Atom Systems: An Analytic Solution.

    Science.gov (United States)

    McCullagh, Peter; Lake, Peter T; McCullagh, Martin

    2016-09-13

    An analytic method to assign optimal coarse-grained charges based on electrostatic potential matching is presented. This solution is the infinite size and density limit of grid-integration charge-fitting and is computationally more efficient by several orders of magnitude. The solution is also minimized with respect to coarse-grained positions which proves to be an extremely important step in reproducing the all-atom electrostatic potential. The joint optimal-charge optimal-position coarse-graining procedure is applied to a number of aggregating proteins using single-site per amino acid resolution. These models provide a good estimate of both the vacuum and Debye-Hückel screened all-atom electrostatic potentials in the vicinity and in the far-field of the protein. Additionally, these coarse-grained models are shown to approximate the all-atom dimerization electrostatic potential energy of 10 aggregating proteins with good accuracy.

  1. Protein structure validation using a semi-empirical method

    OpenAIRE

    Lahiri, Tapobrata; Singh, Kalpana; Pal, Manoj Kumar; Verma, Gaurav

    2012-01-01

    Current practice of validating predicted protein structural model is knowledge-based where scoring parameters are derived from already known structures to obtain decision on validation out of this structure information. For example, the scoring parameter, Ramachandran Score gives percentage conformity with steric-property higher value of which implies higher acceptability. On the other hand, Force-Field Energy Score gives conformity with energy-wise stability higher value of which implies low...

  2. All-atom semiclassical dynamics study of quantum coherence in photosynthetic Fenna-Matthews-Olson complex.

    Science.gov (United States)

    Kim, Hyun Woo; Kelly, Aaron; Park, Jae Woo; Rhee, Young Min

    2012-07-18

    Although photosynthetic pigment-protein complexes are in noisy environments, recent experimental and theoretical results indicate that their excitation energy transfer (EET) can exhibit coherent characteristics for over hundreds of femtoseconds. Despite the almost universal observations of the coherence to some degree, questions still remain regarding the detailed role of the protein and the extent of high-temperature coherence. Here we adopt a theoretical method that incorporates an all-atom description of the photosynthetic complex within a semiclassical framework in order to study EET in the Fenna-Matthews-Olson complex. We observe that the vibrational modes of the chromophore tend to diminish the coherence at the ensemble level, yet much longer-lived coherences may be observed at the single-complex level. We also observe that coherent oscillations in the site populations also commence within tens of femtoseconds even when the system is initially prepared in a non-oscillatory stationary state. We show that the protein acts to maintain the electronic couplings among the system of embedded chromophores. We also investigate the extent to which the protein's electrostatic modulation that disperses the chromophore electronic energies may affect the coherence lifetime. Further, we observe that even though mutation-induced disruptions in the protein structure may change the coupling pattern, a relatively strong level of coupling and associated coherence in the dynamics still remain. Finally, we demonstrate that thermal fluctuations in the chromophore couplings induce some redundancy in the coherent energy-transfer pathway. Our results indicate that a description of both chromophore coupling strengths and their fluctuations is crucial to better understand coherent EET processes in photosynthetic systems. PMID:22708971

  3. 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; Lamm, Monica H [Ames Laboratory

    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.

  4. 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.

  5. Laser Vibrometry Helps to Validate Gossamer Space Structures

    Science.gov (United States)

    Gaspar, James L.

    2006-01-01

    NASA is pursuing the development of large ultra-lightweight structures, commonly referred to as gossamer space structures. These structures have large areas and small areal densities, which complicates ground testing significantly as the ground operations interfaces and gravity loading can become cumbersome. Laser vibrometry has proven to be a critical sensing technology for validating the structural characteristics of these gossamer structures, due to its precision, range, and non-contacting nature.

  6. Validation of seismic soil-structure interaction

    International Nuclear Information System (INIS)

    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)

  7. Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics

    CERN Document Server

    Erban, Radek

    2015-01-01

    Molecular dynamics (MD) simulations of ions (K$^+$, Na$^+$, Ca$^{2+}$ and Cl$^-$) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and parameterized using MD simulations. It is given as a system of coupled stochastic and ordinary differential equations, describing the ion position, velocity and acceleration. The stochastic coarse-grained model provides an intermediate description between all-atom MD simulations and Brownian dynamics (BD) models. It is used to develop a multiscale method which uses all-atom MD simulations in parts of the computational domain and (less detailed) BD simulations in the remainder of the domain.

  8. 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.

  9. Analysis and validation of carbohydrate three-dimensional structures

    International Nuclear Information System (INIS)

    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

  10. 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.

  11. All-atom Molecular Dynamic Simulations and NMR Spectra Study on Intermolecular Interactions of N,N-dimethylacetamide-Water System

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Zai-you Tan; San-lai Luo

    2008-01-01

    N,N-dimethylacetamide (DMA) has been investigated extensively in studying models of peptide bonds. An all-atom MD simulation and the NMR spectra were performed to investigate the interactions in the DMA- water system. The radial distribution functions (RDFs) and the hydrogen-bonding network were used in MD simulations. There are strong hydrogen bonds and weak C-H…O contacts in the mixtures, as shown by the analysis of the RDFs. The insight structures in the DMA-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Chemical shifts of the hydrogen atom of water molecule with concentration and temperatures are adopted to study the interactions in the mixtures. The results of NMR spectra show good agreement with the statistical results of hydrogen bonds in MD simulations.

  12. Reproducible In-Silico Folding of a Four Helix 60 Amino Acid Protein in a Transferable All-Atom Forcefield

    Science.gov (United States)

    Schug, Alexander

    2005-03-01

    For predicting the protein tertiary structure one approach describes the native state of a protein as the global minimum of an appropiate free-energy forcefield. We have recently developed such a all-atom protein forcefield (PFF01). As major challenge remains the search for the global minimum for which we developed efficient methods. Using these we were able to predict the structure of helical proteins from different families ranging in size from 20 to 60 amino acids starting with random configurations. For the four helix 60 amino acid protein Bacterial Ribosomal Protein L20 (pdb code: 1GYZ) we used a simple client-master model for distributed computing. Starting from a set of random structures three phases of different folding simulations refined this set to a final one with 50 configurations. During this process the amount of native-like structures increased strongly. Six out of the ten structures best in energy approached the native structure within 5 åbackbone rmsd. The conformation with the lowest energy had a backbone rmsd value of 4.6 åtherefore correctly predicting the tertiary structure of 1GYZ.ReferencesA. Schug et al, Phys. Rev. Letters, 91:158102, 2003A. Schug et al, J. Am. Chem. Soc. (in press), 2004

  13. Structural and Convergent Validity of the Homework Performance Questionnaire

    Science.gov (United States)

    Pendergast, Laura L.; Watkins, Marley W.; Canivez, Gary L.

    2014-01-01

    Homework is a requirement for most school-age children, but research on the benefits and drawbacks of homework is limited by lack of psychometrically sound measurement of homework performance. This study examined the structural and convergent validity of scores from the newly developed Homework Performance Questionnaire -- Teacher Scale (HPQ-T).…

  14. Structural and Discriminant Validity of the Career Factors Inventory

    Science.gov (United States)

    Dickinson, Josephine; Tokar, David M.

    2004-01-01

    Using a sample of 350 college students, this study examined the structural and discriminant validity of the Career Factors Inventory (CFI; Chartrand, Robbins, Morrill, & Boggs, 1990), a multidimensional measure of career indecision intended to be scored for two informational indecision components (Need for Career Information and Need for…

  15. An all-atom simulation study of the ordering of liquid squalane near a solid surface

    Science.gov (United States)

    Tsige, Mesfin; Patnaik, Soumya S.

    2008-05-01

    An all-atom molecular dynamics study using the OPLS force field has been carried out to obtain new insights in to the orientation and ordering of liquid squalane near a solid surface. As observed in previous experiments, the squalane molecules closest to a SiO 2 substrate are found to be tightly bound with their molecular axis preferentially parallel to the interface. Unlike linear alkanes, the squalane molecules are also found to lie preferentially parallel to the liquid/vapor interface. The simulation results predict that the molecular plane orientation of the squalane molecules changes from mainly parallel to perpendicular to the substrate in going further away from the substrate.

  16. The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets

    OpenAIRE

    Karapetyan, Karen; Batchelor, Colin; Sharpe, David; Tkachenko, Valery; Williams, Antony J

    2015-01-01

    Background There are presently hundreds of online databases hosting millions of chemical compounds and associated data. As a result of the number of cheminformatics software tools that can be used to produce the data, subtle differences between the various cheminformatics platforms, as well as the naivety of the software users, there are a myriad of issues that can exist with chemical structure representations online. In order to help facilitate validation and standardization of chemical stru...

  17. 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 PMID:27183045

  18. In-silico folding of a three helix protein and characterization of its free-energy landscape in an all-atom forcefield

    CERN Document Server

    Herges, T

    2003-01-01

    We report the reproducible first-principles folding of the 40 amino acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy forcefield. Six of twenty simulations using an adapted basin-hopping method converged to better than 3 \\AA backbone RMS deviation to the experimental structure. Using over 60,000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

  19. In Silico Folding of a Three Helix Protein and Characterization of Its Free-Energy Landscape in an All-Atom Force Field

    Science.gov (United States)

    Herges, T.; Wenzel, W.

    2005-01-01

    We report the reproducible first-principles folding of the 40 amino-acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy force field. Six of 20 simulations using an adapted basin-hopping method converged to better than 3Å backbone rms deviation to the experimental structure. Using over 60 000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

  20. A-Site Residues Move Independently from P-Site Residues in all-Atom Molecular Dynamics Simulations of the 70S Bacterial Ribosome

    OpenAIRE

    Relly Brandman; Yigal Brandman; Pande, Vijay S.

    2012-01-01

    The ribosome is a large macromolecular machine, and correlated motion between residues is necessary for coordinating function across multiple protein and RNA chains. We ran two all-atom, explicit solvent molecular dynamics simulations of the bacterial ribosome and calculated correlated motion between residue pairs by using mutual information. Because of the short timescales of our simulation (ns), we expect that dynamics are largely local fluctuations around the crystal structure. We hypothes...

  1. Validation of the transient Structural Response of a Threaded Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Doebling, S. W. (Scott W.); Hemez, F. M. (François M.); Schultze, J. F. (John F.)

    2002-01-01

    This paper will demonstrate the application of model validation techniques to a transient structural dynamics problem. The problem of interest is the propagation of an explosive shock through a complex threaded joint that is a surrogate model of a system assembly. The objective is to validate the computational modeling of the key mechanical phenomena in the assembly, so that the component can be represented with adequate fidelity in the system-level model. A set of experiments was conducted on the threaded assembly where the acceleration and strain responses to an explosive load were measured on mass-simulators representing payloads. A significantly detailed computational model of the threaded assembly was also created. Numerical features that represent the important characteristics of the response were defined and calculated for both the experimental and computational data. Each step of the model validation process will be described as applied to this problem. Fundamental issues regarding the nature of model validation and the role of model validation in the engineering analysis process will also be discussed.

  2. Protein structure validation and analysis with X-ray crystallography.

    Science.gov (United States)

    Papageorgiou, Anastassios C; Mattsson, Jesse

    2014-01-01

    X-ray crystallography is the main technique for the determination of protein structures. About 85 % of all protein structures known to date have been elucidated using X-ray crystallography. Knowledge of the three-dimensional structure of proteins can be used in various applications in biotechnology, biomedicine, drug design, and basic research and as a validation tool for protein modifications, ligand binding, and structural authenticity. Moreover, the requirement for pure, homogeneous, and stable protein solutions in crystallizations makes X-ray crystallography beneficial in other fields of protein research as well. Here, we describe the technique of X-ray protein crystallography and the steps involved for a successful three-dimensional crystal structure determination.

  3. Validation of Design and Analysis Techniques of Tailored Composite Structures

    Science.gov (United States)

    Jegley, Dawn C. (Technical Monitor); Wijayratne, Dulnath D.

    2004-01-01

    Aeroelasticity is the relationship between the elasticity of an aircraft structure and its aerodynamics. This relationship can cause instabilities such as flutter in a wing. Engineers have long studied aeroelasticity to ensure such instabilities do not become a problem within normal operating conditions. In recent decades structural tailoring has been used to take advantage of aeroelasticity. It is possible to tailor an aircraft structure to respond favorably to multiple different flight regimes such as takeoff, landing, cruise, 2-g pull up, etc. Structures can be designed so that these responses provide an aerodynamic advantage. This research investigates the ability to design and analyze tailored structures made from filamentary composites. Specifically the accuracy of tailored composite analysis must be verified if this design technique is to become feasible. To pursue this idea, a validation experiment has been performed on a small-scale filamentary composite wing box. The box is tailored such that its cover panels induce a global bend-twist coupling under an applied load. Two types of analysis were chosen for the experiment. The first is a closed form analysis based on a theoretical model of a single cell tailored box beam and the second is a finite element analysis. The predicted results are compared with the measured data to validate the analyses. The comparison of results show that the finite element analysis is capable of predicting displacements and strains to within 10% on the small-scale structure. The closed form code is consistently able to predict the wing box bending to 25% of the measured value. This error is expected due to simplifying assumptions in the closed form analysis. Differences between the closed form code representation and the wing box specimen caused large errors in the twist prediction. The closed form analysis prediction of twist has not been validated from this test.

  4. Picosecond infrared laser-induced all-atom nonequilibrium molecular dynamics simulation of dissociation of viruses.

    Science.gov (United States)

    Hoang Man, Viet; Van-Oanh, Nguyen-Thi; Derreumaux, Philippe; Li, Mai Suan; Roland, Christopher; Sagui, Celeste; Nguyen, Phuong H

    2016-04-28

    Since the discovery of the plant pathogen tobacco mosaic virus as the first viral entity in the late 1800s, viruses traditionally have been mainly thought of as pathogens for disease-resistances. However, viruses have recently been exploited as nanoplatforms with applications in biomedicine and materials science. To this aim, a large majority of current methods and tools have been developed to improve the physical stability of viral particles, which may be critical to the extreme physical or chemical conditions that viruses may encounter during purification, fabrication processes, storage and use. However, considerably fewer studies are devoted to developing efficient methods to degrade or recycle such enhanced stability biomaterials. With this in mind, we carry out all-atom nonequilibrium molecular dynamics simulation, inspired by the recently developed mid-infrared free-electron laser pulse technology, to dissociate viruses. Adopting the poliovirus as a representative example, we find that the primary step in the dissociation process is due to the strong resonance between the amide I vibrational modes of the virus and the tuned laser frequencies. This process is determined by a balance between the formation and dissociation of the protein shell, reflecting the highly plasticity of the virus. Furthermore, our method should provide a feasible approach to simulate viruses, which is otherwise too expensive for conventional equilibrium all-atom simulations of such very large systems. Our work shows a proof of concept which may open a new, efficient way to cleave or to recycle virus-based materials, provide an extremely valuable tool for elucidating mechanical aspects of viruses, and may well play an important role in future fighting against virus-related diseases.

  5. 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.

  6. Protein structure validation using a semi-empirical method

    Science.gov (United States)

    Lahiri, Tapobrata; Singh, Kalpana; Pal, Manoj Kumar; Verma, Gaurav

    2012-01-01

    Current practice of validating predicted protein structural model is knowledge-based where scoring parameters are derived from already known structures to obtain decision on validation out of this structure information. For example, the scoring parameter, Ramachandran Score gives percentage conformity with steric-property higher value of which implies higher acceptability. On the other hand, Force-Field Energy Score gives conformity with energy-wise stability higher value of which implies lower acceptability. Naturally, setting these two scoring parameters as target objectives sometimes yields a set of multiple models for the same protein for which acceptance based on a particular parameter, say, Ramachandran score, may not satisfy well with the acceptance of the same model based on other parameter, say, energy score. The confusion set of such models can further be resolved by introducing some parameters value of which are easily obtainable through experiment on the same protein. In this piece of work it was found that the confusion regarding final acceptance of a model out of multiple models of the same protein can be removed using a parameter Surface Rough Index which can be obtained through semi-empirical method from the ordinary microscopic image of heat denatured protein. PMID:23275692

  7. 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.

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

    International Nuclear Information System (INIS)

    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

  9. Predicting and validating protein interactions using network structure.

    Directory of Open Access Journals (Sweden)

    Pao-Yang Chen

    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.

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

    International Nuclear Information System (INIS)

    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

  11. 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

  12. 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.

  13. Comparison and validation of community structures in complex networks

    CERN Document Server

    Gustafsson, M; Lombardi, A; Gustafsson, Mika; Hornquist, Michael; Lombardi, Anna

    2006-01-01

    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 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 f...

  14. 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.

  15. Molecular insights into diphenylalanine nanotube assembly: all-atom simulations of oligomerization.

    Science.gov (United States)

    Jeon, Joohyun; Mills, Carolyn E; Shell, M Scott

    2013-04-18

    Self-assembling peptides represent a growing class of inexpensive, environmentally benign, nanostructured materials. In particular, diphenylalanine (FF) self-assembles into nanotubes with remarkable strength and thermal stability that have found use in a wide variety of applications, including as sacrificial templates and scaffolds for structuring inorganic materials and as interfacial "nanoforests" for superhydrophobic surfaces and high-performance supercapacitors and biosensors. However, little is known about the assembly mechanisms of FF nanotubes or the forces underlying their stability. Here, we perform a variety of molecular dynamics simulations on both zwitterionic and capped (uncharged) versions of the FF peptide to understand the early stages of self-assembly. We compare these results to simulations of the proposed nanotube X-ray crystal structure. When comparing the zwitterionic and uncharged FF peptides, we find that, while electrostatic interactions steer the former into more ordered dimers and trimers, the hydrophobic side chain interactions play a strong role in determining the structures of larger oligomers. Simulations of the crystal structure fragment also suggest that the strongest interactions occur between side chains, not between the charged termini that form salt bridges. We conclude that the amphiphilic nature of FF is key to understanding its self-assembly, and that the early precursors to nanotube structures are likely to involve substantial hydrophobic clustering, rather than hexamer ring motifs as has been previously suggested. PMID:23521630

  16. 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.

  17. 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. PMID:26537332

  18. A Validation Study of the Dutch Childhood Trauma Questionnaire-Short Form: Factor Structure, Reliability, and Known-Groups Validity

    Science.gov (United States)

    Thombs, Brett D.; Bernstein, David P.; Lobbestael, Jill; Arntz, Arnoud

    2009-01-01

    Objective: The 28-item Childhood Trauma Questionnaire-Short Form (CTQ-SF) has been translated into at least 10 different languages. The validity of translated versions of the CTQ-SF, however, has generally not been examined. The objective of this study was to investigate the factor structure, internal consistency reliability, and known-groups…

  19. 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…

  20. 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…

  1. Application of principal component analysis in protein unfolding: An all-atom molecular dynamics simulation study

    Science.gov (United States)

    Das, Atanu; Mukhopadhyay, Chaitali

    2007-10-01

    We have performed molecular dynamics (MD) simulation of the thermal denaturation of one protein and one peptide—ubiquitin and melittin. To identify the correlation in dynamics among various secondary structural fragments and also the individual contribution of different residues towards thermal unfolding, principal component analysis method was applied in order to give a new insight to protein dynamics by analyzing the contribution of coefficients of principal components. The cross-correlation matrix obtained from MD simulation trajectory provided important information regarding the anisotropy of backbone dynamics that leads to unfolding. Unfolding of ubiquitin was found to be a three-state process, while that of melittin, though smaller and mostly helical, is more complicated.

  2. 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......Molecular dynamics simulations of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers using the CHARMM27 force field in the tensionless isothermal-isobaric (NPT) ensemble give highly ordered, gel-like bilayers with an area per lipid of ∼48 Å2. To obtain fluid (Lα) phase properties of DPPC bilayers...... represented by the CHARMM energy function in this ensemble, we reparameterized the atomic partial charges in the lipid headgroup and upper parts of the acyl chains. The new charges were determined from the electron structure using both the Mulliken method and the restricted electrostatic potential fitting...

  3. Nanosystem Self-Assembly Pathways Discovered via All-Atom Multiscale Analysis

    CERN Document Server

    Pankavich, Stephen

    2014-01-01

    We consider the self-assembly of composite structures from a group of nanocomponents, each consisting of particles within an $N$-atom system. Self-assembly pathways and rates for nanocomposites are derived via a multiscale analysis of the classical Liouville equation. From a reduced statistical framework, rigorous stochastic equations for population levels of beginning, intermediate, and final aggregates are also derived. It is shown that the definition of an assembly type is a self-consistency criterion that must strike a balance between precision and the need for population levels to be slowly varying relative to the time scale of atomic motion. The deductive multiscale approach is complemented by a qualitative notion of multicomponent association and the ensemble of exact atomic-level configurations consistent with them. In processes such as viral self-assembly from proteins and RNA or DNA, there are many possible intermediates, so that it is usually difficult to predict the most efficient assembly pathway...

  4. Conformations of Carnosine in Aqueous Solutions by All-Atom Molecular Dynamics Simulations and 2D-NOSEY Spectrum

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Dan Wang; Wen-juan Wu

    2013-01-01

    All-atom molecular simulations and two-dimensional nuclear overhauser effect spectrum have been used to study the conformations of carnosine in aqueous solution.Intramolecular distances,root-mean-square deviation,radius of gyration,and solvent-accessible surface are used to characterize the properties of the carnosine.Carnosine can shift between extended and folded states,but exists mostly in extended state in water.Its preference for extension in pure water has been proven by the 2D nuclear magnetic resonance (NMR) experiment.The NMR experimental results are consistent with the molecular dynamics simulations.

  5. Experimental validation of efficient impact simulation methodologies of sandwich structures

    OpenAIRE

    Kärger, Luise; Baaran, Jens; Teßmer, Jan

    2007-01-01

    Aircraft design calls for weight efficient shell constructions. Composite sandwich structures satisfy this demand by the combination of two thin, stiff face sheets and an intermediate lightweight core. Furthermore, the outer face sheet can act as an impact detector while the core provides damping and insulation. Thus, sandwich structures are increasingly aspired for application as fuselage and wing panels. However, impact damage in sandwich structures can provoke a significant strength and st...

  6. 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.

  7. 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.

  8. Density relaxation and particle motion characteristics in a non-ionic deep eutectic solvent (acetamide + urea): Time-resolved fluorescence measurements and all-atom molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Das, Anuradha; Das, Suman; Biswas, Ranjit, E-mail: ranjit@bose.res.in [Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata, West Bengal 700098 (India)

    2015-01-21

    Temperature dependent relaxation dynamics, particle motion characteristics, and heterogeneity aspects of deep eutectic solvents (DESs) made of acetamide (CH{sub 3}CONH{sub 2}) and urea (NH{sub 2}CONH{sub 2}) have been investigated by employing time-resolved fluorescence measurements and all-atom molecular dynamics simulations. Three different compositions (f) for the mixture [fCH{sub 3}CONH{sub 2} + (1 − f)NH{sub 2}CONH{sub 2}] have been studied in a temperature range of 328-353 K which is ∼120-145 K above the measured glass transition temperatures (∼207 K) of these DESs but much lower than the individual melting temperature of either of the constituents. Steady state fluorescence emission measurements using probe solutes with sharply different lifetimes do not indicate any dependence on excitation wavelength in these metastable molten systems. Time-resolved fluorescence anisotropy measurements reveal near-hydrodynamic coupling between medium viscosity and rotation of a dissolved dipolar solute. Stokes shift dynamics have been found to be too fast to be detected by the time-resolution (∼70 ps) employed, suggesting extremely rapid medium polarization relaxation. All-atom simulations reveal Gaussian distribution for particle displacements and van Hove correlations, and significant overlap between non-Gaussian (α{sub 2}) and new non-Gaussian (γ) heterogeneity parameters. In addition, no stretched exponential relaxations have been detected in the simulated wavenumber dependent acetamide dynamic structure factors. All these results are in sharp contrast to earlier observations for ionic deep eutectics with acetamide [Guchhait et al., J. Chem. Phys. 140, 104514 (2014)] and suggest a fundamental difference in interaction and dynamics between ionic and non-ionic deep eutectic solvent systems.

  9. Experimentally validated finite element model of electrocaloric multilayer ceramic structures

    International Nuclear Information System (INIS)

    A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to support the design of optimised electrocaloric units and operating conditions.

  10. Description and validation of realistic and structured endourology training model

    OpenAIRE

    Soria, Federico; Morcillo, Esther; Sanz, Juan Luis; Budia, Alberto; Serrano, Alvaro; Sanchez-Margallo, Francisco M

    2014-01-01

    Purpose: The aim of the present study was to validate a model of training, which combines the use of non-biological and ex vivo biological bench models, as well as the modelling of urological injuries for endourological treatment in a porcine animal model. Material and Methods: A total of 40 participants took part in this study. The duration of the activity was 16 hours. The model of training was divided into 3 levels: level I, concerning the acquisition of basic theoretical knowledge; level ...

  11. A Validation of the French Version of the Attitudes to Aging Questionnaire (AAQ: Factor Structure, Reliability and Validity

    Directory of Open Access Journals (Sweden)

    Manon Marquet

    2016-03-01

    Full Text Available Introduction: The Attitudes to Aging Questionnaire (AAQ was developed to measure attitudes toward the aging process as a personal experience from the perspective of older people. The present study aimed to validate the French version of the AAQ. Participants and methods: This study examined factor structure, acceptability, reliability and validity of the AAQ’s French version in 238 Belgian adults aged 60 years or older. In addition, participants provided information on demographics, self-perception of their mental and physical health (single items, quality of life (WHOQOL-OLD and social desirability (DS-36.  Results: Exploratory Factor Analysis produced a three-factor solution accounting for 36.9% of the variance. No floor or ceiling effects were found. The internal consistency, measured by Cronbach’s alpha coefficients for the AAQ subscales were 0.62 (Physical Change, 0.74 (Psychological Growth, and 0.75 (Psychosocial Loss. A priori expected associations were found between AAQ subscales, self-reported health and quality of life, indicating good convergent validity. The scale also showed a good ability to discriminate between people with lower and higher education levels, supporting adequate known-groups validity. Finally, we confirmed the need to control for social desirability biases when assessing self-reported attitudes toward one’s own aging. Conclusion: The data support the usefulness of the French version of the AAQ for the assessment of attitudes toward their own aging in older people.

  12. Experimental validation of the interaction between combustion and structural vibration

    NARCIS (Netherlands)

    Huls, Rob; Boer, de André; Kok, Jim; Hoogt, van der Peter

    2005-01-01

    To decrease NOx emissions from combustion systems, lean premixed combustion is used. A disadvantage is the increase in sound pressure levels in the combustor, resulting in an increased excitation of the surrounding structure: the liner. This causes fatigue, which limits the life time of the combusto

  13. 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.

  14. Structuring and validating a cost-effectiveness model of primary asthma prevention amongst children

    Directory of Open Access Journals (Sweden)

    Ramos G Feljandro P

    2011-11-01

    Full Text Available Abstract Background Given the rising number of asthma cases and the increasing costs of health care, prevention may be the best cure. Decisions regarding the implementation of prevention programmes in general and choosing between unifaceted and multifaceted strategies in particular are urgently needed. Existing trials on the primary prevention of asthma are, however, insufficient on their own to inform the decision of stakeholders regarding the cost-effectiveness of such prevention strategies. Decision analytic modelling synthesises available data for the cost-effectiveness evaluation of strategies in an explicit manner. Published reports on model development should provide the detail and transparency required to increase the acceptability of cost-effectiveness modelling. But, detail on the explicit steps and the involvement of experts in structuring a model is often unevenly reported. In this paper, we describe a procedure to structure and validate a model for the primary prevention of asthma in children. Methods An expert panel was convened for round-table discussions to frame the cost-effectiveness research question and to select and structure a model. The model's structural validity, which indicates how well a model reflects the reality, was determined through descriptive and parallel validation. Descriptive validation was performed with the experts. Parallel validation qualitatively compared similarity between other published models with different decision problems. Results The multidisciplinary input of experts helped to develop a decision-tree structure which compares the current situation with screening and prevention. The prevention was further divided between multifaceted and unifaceted approaches to analyse the differences. The clinical outcome was diagnosis of asthma. No similar model was found in the literature discussing the same decision problem. Structural validity in terms of descriptive validity was achieved with the experts

  15. 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 using…

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

    International Nuclear Information System (INIS)

    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

  17. SNPs in stress-responsive rice genes: validation, genotyping, functional relevance and population structure

    OpenAIRE

    Parida Swarup K; Mukerji Mitali; Singh Ashok K; Singh Nagendra K; Mohapatra Trilochan

    2012-01-01

    Abstract Background Single nucleotide polymorphism (SNP) validation and large-scale genotyping are required to maximize the use of DNA sequence variation and determine the functional relevance of candidate genes for complex stress tolerance traits through genetic association in rice. We used the bead array platform-based Illumina GoldenGate assay to validate and genotype SNPs in a select set of stress-responsive genes to understand their functional relevance and study the population structure...

  18. Objective Structured Clinical Examinations Provide Valid Clinical Skills Assessment in Emergency Medicine Education

    OpenAIRE

    Wallenstein, Joshua; Ander, Douglas

    2015-01-01

    Introduction: Evaluation of emergency medicine (EM) learners based on observed performance in the emergency department (ED) is limited by factors such as reproducibility and patient safety. EM educators depend on standardized and reproducible assessments such as the objective structured clinical examination (OSCE). The validity of the OSCE as an evaluation tool in EM education has not been previously studied. The objective was to assess the validity of a novel management-focused OSCE as an ev...

  19. 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.

  20. All-atom Molecular Dynamic Simulations Combined with the Chemical Shifts Study on the Weak Interactions of Ethanol-water System

    Institute of Scientific and Technical Information of China (English)

    ZHANG Rong; LUO San-Lai; WU Wen-Juan

    2008-01-01

    All-atom molecular dynamics(MD)simulation combined with chemical shifts was performed to investigate the interactions over the entire concentration range of the ethanol(EtOH)-water system.The results of the simulation were adopted to explain the NMR experiments by hydrogen bonding analysis.The strong hydrogen bonds and weak C-H…O contacts coexist in the mixtures through the analysis of the radial distribution functions.And the liquid structures in the whole concentration of EtOH-water mixtures can be classified into three regions by the statistic analysis of the hydrogen-bonding network in the MD simulations.Moreover,the chemical shifts of the hydrogen atom are in agreement witb the statistical results of the average number hydrogen bonds in the MD simulations.Interestingly,the excess relative extent Eηrel calculated by the MD simulations and chemical shifts in the EtOH aqueous solutions shows the largest deviation at XEtOH≈0.18.The excess properties present good agreement with the excess enthalpy in the concentration dependence.

  1. Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations.

    Science.gov (United States)

    Ou, Shu-Ching; Cui, Di; Wezowicz, Matthew; Taufer, Michela; Patel, Sandeep

    2015-06-15

    In this study, we examine the temperature dependence of free energetics of nanotube association using graphical processing unit-enabled all-atom molecular dynamics simulations (FEN ZI) with two (10,10) single-walled carbon nanotubes in 3 m NaI aqueous salt solution. Results suggest that the free energy, enthalpy and entropy changes for the association process are all reduced at the high temperature, in agreement with previous investigations using other hydrophobes. Via the decomposition of free energy into individual components, we found that solvent contribution (including water, anion, and cation contributions) is correlated with the spatial distribution of the corresponding species and is influenced distinctly by the temperature. We studied the spatial distribution and the structure of the solvent in different regions: intertube, intratube and the bulk solvent. By calculating the fluctuation of coarse-grained tube-solvent surfaces, we found that tube-water interfacial fluctuation exhibits the strongest temperature dependence. By taking ions to be a solvent-like medium in the absence of water, tube-anion interfacial fluctuation shows similar but weaker dependence on temperature, while tube-cation interfacial fluctuation shows no dependence in general. These characteristics are discussed via the malleability of their corresponding solvation shells relative to the nanotube surface. Hydrogen bonding profiles and tetrahedrality of water arrangement are also computed to compare the structure of solvent in the solvent bulk and intertube region. The hydrophobic confinement induces a relatively lower concentration environment in the intertube region, therefore causing different intertube solvent structures which depend on the tube separation. This study is relevant in the continuing discourse on hydrophobic interactions (as they impact generally a broad class of phenomena in biology, biochemistry, and materials science and soft condensed matter research), and

  2. 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

    2004-01-01

    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 previou

  3. A new criterion for assessing discriminant validity in variance-based structural equation modeling

    NARCIS (Netherlands)

    Henseler, J.; Ringle, Christian M.; Sarstedt, Marko

    2015-01-01

    Discriminant validity assessment has become a generally accepted prerequisite for analyzing relationships between latent variables. For variance-based structural equation modeling, such as partial least squares, the Fornell-Larcker criterion and the examination of cross-loadings are the dominant app

  4. 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 forw

  5. Testing the structural and cross-cultural validity of the KIDSCREEN-27 quality of life questionnaire

    NARCIS (Netherlands)

    Robitail, S.; Ravens-Sieberer, U.; Simeoni, M.-C.; Rajmil, L.; Bruil, J.; Power, M.; Duer, W.; Cloetta, B.; Czemy, L.; Mazur, J.; Czimbalmos, A.; Tountas, Y.; Hagquist, C.; Kilroe, J.; Auquier, P.; Fuerth, K.; Czerny, L.; Erhart, M.; Nickel, J.; Kurth, B.-M.; Gosch, A.; Von Rüden, U.; Dimitrakakis, C.; Aszman, A.; Flannery, E.; Detmar, S.; Veripps, E.; Mierzejeswka, E.; Berra, S.; Tebé, C.; Herdman, M.; Alonso, J.; Abel, T.; Bisegger, C.; Farley, C.; Atherton, C.; Phillips, K.

    2007-01-01

    Objectives: The aim of this study is to assess the structural and cross-cultural validity of the KIDSCREEN-27 questionnaire. Methods: The 27-item version of the KIDSCREEN instrument was derived from a longer 52-item version and was administered to young people aged 8-18 years in 13 European countrie

  6. The structure-based expert model of the mental disorders - a validation study

    OpenAIRE

    Egli, S.; R. Streule; D. Läge

    2008-01-01

    BACKGROUND: In an earlier study, our research group presented an alternative approach to measuring knowledge about mental disorders by constructing a structure-based expert model of the ICD-10 mental disorders. This article presents a validation of this expert model by measuring the emergence of such knowledge structures in psychotherapy students. SAMPLING AND METHODS: The participants of a continuing education program in cognitive behavioral psychotherapy rated a selection of mental disorder...

  7. The factorial structure and validity of the Hospital Anxiety and Depression Scale (HADS) in Polish adolescents

    OpenAIRE

    Andreea Mihaela Mihalca; Władysława Pilecka

    2015-01-01

    Objectives The present study aimed to explore the factorial structure, validity and stability of the Hospital Anxiety and Depression Scale (HADS) in chronically ill and healthy Polish adolescents. Methods 146 chronically ill (girls: 57.6%) and 309 healthy (girls: 45.9%) adolescents aged between 12 and 16 years (M = 14.03; SD = 1.3) filled in an adapted version of HADS (HADS-Teen) in hospital or school settings. The one-week test-retest reliability and construct validity was analyzed...

  8. Validation of the Transient Structural Response of a Threaded Assembly: Phase I

    Energy Technology Data Exchange (ETDEWEB)

    Doebling, Scott W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hemez, Francois M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Robertson, Amy N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Maupin, Ryan D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Schultze, John F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cundy, Amanda L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hylok, Jeff E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2004-04-01

    This report explores the application of model validation techniques in structural dynamics. The problem of interest is the propagation of an explosive-driven mechanical shock through a complex threaded joint. The study serves the purpose of assessing whether validating a large-size computational model is feasible, which unit experiments are required, and where the main sources of uncertainty reside. The results documented here are preliminary, and the analyses are exploratory in nature. The results obtained to date reveal several deficiencies of the analysis, to be rectified in future work.

  9. An Examination of the Structure and Construct Validity of the Wender Utah Rating Scale.

    Science.gov (United States)

    Stanton, Kasey; Watson, David

    2016-01-01

    The Wender Utah Rating Scale (Ward, Wender, & Reimherr, 1993 ) has been widely used in adult attention-deficit/hyperactivity disorder (ADHD) research to assess childhood symptoms retrospectively, but little research has examined its factor structure and specificity in predicting ADHD versus other psychopathology. Consequently, this study had 2 goals: (a) to examine the Wender Utah Rating Scale's structure, and (b) to explicate the construct validity of this measure by relating factors from our structural analyses to other ADHD, psychopathology, and personality measures. Structural analyses in an adult community sample (N = 294) yielded a 3-factor structure of aggression (e.g., angry), internalizing distress (e.g., depressed), and academic difficulties (e.g., underachiever). Correlational and regression analyses indicated that these factors failed to display specificity in their associations with ADHD versus other psychopathology. Aggression and internalizing distress associated most strongly with indicators of externalizing (e.g., ill temper, manipulativeness) and internalizing psychopathology (e.g., depression, anxiety), respectively. Academic difficulties associated most strongly with ADHD symptoms, but these relations were relatively weak. Taken together, these findings raise concerns about the Wender Utah Rating Scale's construct validity, although additional longitudinal research is needed to clarify to what extent the Wender Utah Rating Scale validly assesses childhood ADHD symptoms. PMID:27050760

  10. 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

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

    International Nuclear Information System (INIS)

    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

  12. Design and validation of a structural health monitoring system for aeronautical structures.

    OpenAIRE

    Tibaduiza Burgos, Diego Alexander

    2013-01-01

    Structural Health Monitoring (SHM) is an area where the main objective is the verification of the state or the health of the structures in order to ensure proper performance and maintenance cost savings using a sensor network attached to the structure, continuous monitoring and algorithms. Different benefits are derived from the implementation of SHM, some of them are: knowledge about the behavior of the structure under different loads and different environmental changes, knowledge of the cur...

  13. Analytical modeling and experimental validation of a structurally integrated piezoelectric energy harvester on a thin plate

    Science.gov (United States)

    Aridogan, U.; Basdogan, I.; Erturk, A.

    2014-04-01

    Vibration-based energy harvesting using piezoelectric cantilevers has been extensively studied over the past decade. As an alternative to cantilevered harvesters, piezoelectric patch harvesters integrated to thin plates can be more convenient for use in marine, aerospace and automotive applications since these systems are often composed of thin plate-like structures with various boundary conditions. In this paper, we present analytical electroelastic modeling of a piezoelectric energy harvester structurally integrated to a thin plate along with experimental validations. The distributed-parameter electroelastic model of the thin plate with the piezoceramic patch harvester is developed based on Kirchhoff’s plate theory for all-four-edges clamped (CCCC) boundary conditions. Closed-form steady-state response expressions for coupled electrical output and structural vibration are obtained under transverse point force excitation. Analytical electroelastic frequency response functions (FRFs) relating the voltage output and vibration response to force input are derived and generalized for different boundary conditions. Experimental validation and extensive theoretical analysis efforts are then presented with a case study employing a thin PZT-5A piezoceramic patch attached on the surface of a rectangular aluminum CCCC plate. The importance of positioning of the piezoceramic patch harvester is discussed through an analysis of dynamic strain distribution on the overall plate surface. The electroelastic model is validated by a comparison of analytical and experimental FRFs for a wide range of resistive electrical boundary conditions. Finally, power generation performance of the structurally integrated piezoceramic patch harvester from multiple vibration modes is investigated analytically and experimentally.

  14. Experimental validation of finite element and boundary element methods for predicting structural vibration and radiated noise

    Science.gov (United States)

    Seybert, A. F.; Wu, T. W.; Wu, X. F.

    1994-01-01

    This research report is presented in three parts. In the first part, acoustical analyses were performed on modes of vibration of the housing of a transmission of a gear test rig developed by NASA. The modes of vibration of the transmission housing were measured using experimental modal analysis. The boundary element method (BEM) was used to calculate the sound pressure and sound intensity on the surface of the housing and the radiation efficiency of each mode. The radiation efficiency of each of the transmission housing modes was then compared to theoretical results for a finite baffled plate. In the second part, analytical and experimental validation of methods to predict structural vibration and radiated noise are presented. A rectangular box excited by a mechanical shaker was used as a vibrating structure. Combined finite element method (FEM) and boundary element method (BEM) models of the apparatus were used to predict the noise level radiated from the box. The FEM was used to predict the vibration, while the BEM was used to predict the sound intensity and total radiated sound power using surface vibration as the input data. Vibration predicted by the FEM model was validated by experimental modal analysis; noise predicted by the BEM was validated by measurements of sound intensity. Three types of results are presented for the total radiated sound power: sound power predicted by the BEM model using vibration data measured on the surface of the box; sound power predicted by the FEM/BEM model; and sound power measured by an acoustic intensity scan. In the third part, the structure used in part two was modified. A rib was attached to the top plate of the structure. The FEM and BEM were then used to predict structural vibration and radiated noise respectively. The predicted vibration and radiated noise were then validated through experimentation.

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

    International Nuclear Information System (INIS)

    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. Construct Validity of the Reporter-Interpreter-Manager-Educator Structure for Assessing Students' Patient Encounter Skills

    DEFF Research Database (Denmark)

    Tolsgaard, Martin G; Arendrup, Henrik; 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...

  17. Testing the validity of the Feldstein-Horioka Puzzle: New evidence from structural breaks for Turkey

    OpenAIRE

    Erdem, Ekrem; Ahmet KOSEOGLU; Ali Gokhan YUCEL

    2016-01-01

    The purpose of this study is to test the validity of Feldstein-Horioka Puzzle using time series data covering the period of 1960-2014 for Turkey. In order to test this relationship, the recently proposed multiple-break cointegration test of Maki (2012) was employed. After detecting the existence of a cointegration between domestic saving by allowing for endogenous structural breaks, Fully Modified Ordinary Least Squares (FMOLS) and Dynamic Ordinary Least Squares (DOLS) estimati...

  18. The Dimensional Structure of the Wisconsin Schizotypy Scales: Factor Identification and Construct Validity

    OpenAIRE

    Kwapil, Thomas R.; Barrantes-Vidal, Neus; Silvia, Paul J.

    2007-01-01

    The present study examined the factor structure underlying the Wisconsin Schizotypy Scales and the validity of these dimensions. Confirmatory factor analysis with 6137 nonclinical young adults supported a 2-factor model with positive and negative schizotypy dimensions. As predicted, the schizotypy dimensions were differentially related to psychopathology, personality, and social impairment. Both dimensions were related to schizotypal and paranoid symptoms. Positive schizotypy was uniquely rel...

  19. Factor structure and validity of the State-Trait Inventory for Cognitive and Somatic Anxiety.

    Science.gov (United States)

    Roberts, Karen E; Hart, Trevor A; Eastwood, John D

    2016-02-01

    The State-Trait Inventory for Cognitive and Somatic Anxiety (STICSA; Ree, French, MacLeod, & Locke, 2008) is a relatively new measure of anxiety. The current research investigated the factor structure and reliability of scores on the STICSA and the validity of the interpretation of STICSA scores in a sample of undergraduate students. Participants completed a battery of self-report questionnaires online, including measures of anxiety, depression, affect, and social desirability. Scores on the 4 subscales of the STICSA-Trait Cognitive, Trait Somatic, State Cognitive, and State Somatic-exhibited good internal consistencies (αs ≥ .92). Results of a confirmatory factor analysis provided support for a hierarchical model of the STICSA including a global anxiety factor plus 4 specific factors corresponding to the STICSA subscales. Support was also found for a four-factor model, with factors corresponding to the STICSA subscales. Pearson product-moment correlations with other measures of anxiety provided evidence of the convergent validity of the interpretation of STICSA scores, and Pearson product-moment correlations with measures of depression and affect provided evidence of the divergent validity of the interpretation of STICSA scores. The STICSA is the only existing self-report anxiety measure that contains scales measuring state and trait anxiety as well as cognitive and somatic anxiety. Comparisons between the convergent and divergent validity of test score interpretations of the STICSA and the State-Trait Anxiety Inventory (STAI; Spielberger et al., 1983) revealed that the STICSA has better convergent validity with measures of somatic anxiety and better divergent validity with measures of depression and affect. (PsycINFO Database Record PMID:26011481

  20. Assessing the diagnostic validity of a structured psychiatric interview in a first-admission hospital sample

    DEFF Research Database (Denmark)

    Frederiksen, Julie Elisabeth Nordgaard; Revsbech, Rasmus; Sæbye, Ditte;

    2012-01-01

    on multiple sources of information, which included videotaped comprehensive semi-structured narrative interviews. The overall kappa agreement was 0.18. The sensitivity and specificity for the diagnosis of schizophrenia by SCID were 19% and 100%, respectively. It is concluded that structured interviews......The use of structured psychiatric interviews performed by non-clinicians is frequent for research purposes and is becoming increasingly common in clini-cal practice. The validity of such interviews has rarely been evaluated empirically. In this study of a sample of 100 diagnostically heterogeneous......, first-admitted inpatients, the results of an assessment with the Structured Clinical Interview for DSM-IV (SCID), yielding a DSM-IV diagnosis and performed by a trained non-clinician, were compared with a consensus lifetime best diagnostic estimate (DSM-IV) by two experienced research clinicians, based...

  1. 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

  2. Experimental validation of an integrated controls-structures design methodology for a class of flexible space structures

    Science.gov (United States)

    Maghami, Peiman G.; Gupta, Sandeep; Elliott, Kenny B.; Joshi, Suresh M.; Walz, Joseph E.

    1994-01-01

    This paper describes the first experimental validation of an optimization-based integrated controls-structures design methodology for a class of flexible space structures. The Controls-Structures-Interaction (CSI) Evolutionary Model, a laboratory test bed at Langley, is redesigned based on the integrated design methodology with two different dissipative control strategies. The redesigned structure is fabricated, assembled in the laboratory, and experimentally compared with the original test structure. Design guides are proposed and used in the integrated design process to ensure that the resulting structure can be fabricated. Experimental results indicate that the integrated design requires greater than 60 percent less average control power (by thruster actuators) than the conventional control-optimized design while maintaining the required line-of-sight performance, thereby confirming the analytical findings about the superiority of the integrated design methodology. Amenability of the integrated design structure to other control strategies is considered and evaluated analytically and experimentally. This work also demonstrates the capabilities of the Langley-developed design tool CSI DESIGN which provides a unified environment for structural and control design.

  3. Protein structure validation by generalized linear model root-mean-square deviation prediction.

    Science.gov (United States)

    Bagaria, Anurag; Jaravine, Victor; Huang, Yuanpeng J; Montelione, Gaetano T; Güntert, Peter

    2012-02-01

    Large-scale initiatives for obtaining spatial protein structures by experimental or computational means have accentuated the need for the critical assessment of protein structure determination and prediction methods. These include blind test projects such as the critical assessment of protein structure prediction (CASP) and the critical assessment of protein structure determination by nuclear magnetic resonance (CASD-NMR). An important aim is to establish structure validation criteria that can reliably assess the accuracy of a new protein structure. Various quality measures derived from the coordinates have been proposed. A universal structural quality assessment method should combine multiple individual scores in a meaningful way, which is challenging because of their different measurement units. Here, we present a method based on a generalized linear model (GLM) that combines diverse protein structure quality scores into a single quantity with intuitive meaning, namely the predicted coordinate root-mean-square deviation (RMSD) value between the present structure and the (unavailable) "true" structure (GLM-RMSD). For two sets of structural models from the CASD-NMR and CASP projects, this GLM-RMSD value was compared with the actual accuracy given by the RMSD value to the corresponding, experimentally determined reference structure from the Protein Data Bank (PDB). The correlation coefficients between actual (model vs. reference from PDB) and predicted (model vs. "true") heavy-atom RMSDs were 0.69 and 0.76, for the two datasets from CASD-NMR and CASP, respectively, which is considerably higher than those for the individual scores (-0.24 to 0.68). The GLM-RMSD can thus predict the accuracy of protein structures more reliably than individual coordinate-based quality scores.

  4. Validation of structural analysis methods using burner liner cyclic rig test data

    Science.gov (United States)

    Thompson, R.

    1983-01-01

    The objectives of the hot section technology (HOST) burner liner cyclic rig test program are basically threefold: (1) to assist in developing predictive tools needed to improve design analyses and procedures for the efficient and accurate prediction of burner liner structural response; (2) to calibrate, evaluate and validate these predictive tools by comparing the predicted results with the experimental data generated in the tests; and (3) to evaluate existing as well as advanced temperature and strain measurement instrumentation, both contact and noncontact, in a simulated engine cycle environment. The data generated will include measurements of the thermal environment (metal surface temperatures) as well as structural (strain) and life (fatigue) responses of simulated burner liners and specimens under controlled boundary and operating conditions. These data will be used to calibrate, compare and validate analytical theories, methodologies and design procedures, as well as improvements in them, for predicting liner temperatures, stress-strain responses and cycles to failure. Comparison of predicted results with experimental data will be used to show where the predictive theories, etc. need improvements. In addition, as the predictive tools, as well as the tests, test methods, and data acquisition and reduction techniques, are developed and validated, a proven, integrated analysis/experiment method will be developed to determine the cyclic life of a simulated burner liner.

  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. The Revised Identity Style Inventory: Factor Structure and Validity in Italian Speaking Students

    Science.gov (United States)

    Monacis, Lucia; de Palo, Valeria; Sinatra, Maria; Berzonsky, Michael D.

    2016-01-01

    The purpose of this study was to evaluate the factor structure and convergent and discriminant validity of scores on an Italian translation of the Revised Identity Style Inventory (ISI-5) with samples of 237 adolescents (50 males, Mage = 18.04, SD = .86) and 268 university students (42 males, Mage = 22.71, SD = 3.70). Confirmatory Factor Analysis indicated that a three-factor solution provided a good fit, which was invariant across age and sex groups. The theoretically relationships between scores on the ISI and scores on measures of reasoning and identity processes, identity commitment, and social desirability were partially consistent, thus further studies are needed to give more evidence to the convergent and discriminant validity. PMID:27378980

  7. Construct validity of instruments measuring impairments in body structures and function in rheumatic disorders: which constructs are selected for validation? A systematic review.

    NARCIS (Netherlands)

    Swinkels, R.A.H.M.; Bouter, L.M.; Oostendorp, R.A.B.; Swinkels-Meewisse, I.J.; Dijkstra, P.U.; Vet, H.C.W. de

    2006-01-01

    PURPOSE: This paper focuses on the construct validity of instruments measuring impairments in body structures and function in rheumatic disorders. The objective is: 1) to make an inventory of constructs, based on the domains of the International Classification of Functioning, Disabilities and Health

  8. Construct validity of instruments measuring impairments in body structures and function in rheumatic disorders: Which constructs are selected for validation? A systematic review

    NARCIS (Netherlands)

    Swinkels, R.A.H.M.; Bouter, L.M.; Oostendorp, R.A.B.; Swinkels-Meewisse, I.J.C.M.; Dijkstra, P.U.; de Vet, H.C.W.

    2006-01-01

    Purpose. This paper focuses on the construct validity of instruments measuring impairments in body structures and function in rheumatic disorders. The objective is: 1) to make an inventory of constructs, based on the domains of the International Classification of Functioning, Disabilities and Health

  9. Ab initio prediction of the polymorphic structures of pyrazinamide: A validation study

    Directory of Open Access Journals (Sweden)

    David Stephen Arputhara

    2016-01-01

    Full Text Available A validation study to predict the possible stable polymorphs of Pyrazinamide within a low energy conformational region of the flexible torsion angle was made through a potential energy surface (PES scan by gas phase optimisation using the MP2/6-31G(d,p method. Hypothetical crystal structures with favourable packing density for each of the stable conformers generated from the PES scan were generated using a global search with a repulsion only potential field. The densest crystal structures with stable energy were analyzed with more accurate lattice energy minimisation via distributed multipole analysis using a repulsion-dispersion potential. The stability of the predicted crystal structures with similar close packing to the known experimental polymorphs of Pyrazinamide molecule was analyzed by inspecting their intermolecular short contacts. Studies to analyze the second derivative mechanical properties from the hessian matrix were carried out to emphasise the thermodynamic stability of predicted polymorphs of Pyrazinamide.

  10. 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.

  11. Development and Validation of a Novel Bird Strike Resistant Composite Leading Edge Structure

    Science.gov (United States)

    Kermanidis, Th.; Labeas, G.; Sunaric, M.; Ubels, L.

    2005-11-01

    A novel design of a fibre-reinforced composite Leading Edge (LE) of a Horizontal Tail Plain (HTP) is proposed. The development and validation approach of the innovative composite LE structure are described. The main design goal is the satisfactory impact resistance of the novel composite LE in the case of bird strike. The design concept is based on the absorption of the major portion of the bird kinetic energy by the composite skins, in order to protect the ribs and the inner LE structure from damaging, thus preserving the tail plane functionality for safe landing. To this purpose, the LE skin is fabricated from specially designed composite panels, so called ‘tensor skin’ panels, comprising folded layers, which unfold under the impact load and increase the energy absorption capability of the LE. A numerical model simulating the bird strike process is developed and bird strike experimental testing is performed, in order to validate the proposed layout and prove the capability of the structure to successfully withstand the impact loading. The numerical modelling issues and the critical parameters of the simulation are discussed. The present work is part of the European Aeronautics Research Project, ‘Crashworthiness of aircraft for high velocity impact CRAHVI’ [1].

  12. Structural Validity of ‘Santa Clara Strength of Religious Faith Questionnaire’ in Greek Sample

    Directory of Open Access Journals (Sweden)

    Maria Dianni

    2014-02-01

    Full Text Available The aim of the present study was to investigate the structural validity and reliability of the Santa Clara Strength of Religious Faith Questionnaire (SCSRFQ instrument in the Greek population. One hundred and three individuals (men n = 45, and women n = 58 participated in this study. Their age ranged from 17 to 86 years. More specifically, the study investigated the fit of both versions of SCSRFQ (10-item and 5-item. The results of the present study revealed that both versions have adequate fit and can be used by Greek researchers as a measure of strength of religious faith in the Greek population.

  13. Validation of a new restraint docking method for solution structure determinations of protein-ligand complexes

    Energy Technology Data Exchange (ETDEWEB)

    Polshakov, Vladimir I.; Morgan, William D.; Birdsall, Berry; Feeney, James [National Institute for Medical Research, Division of Molecular Structure (United Kingdom)

    1999-06-15

    A new method is proposed for docking ligands into proteins in cases where an NMR-determined solution structure of a related complex is available. The method uses a set of experimentally determined values for protein-ligand, ligand-ligand, and protein-protein restraints for residues in or near to the binding site, combined with a set of protein-protein restraints involving all the other residues which is taken from the list of restraints previously used to generate the reference structure of a related complex. This approach differs from ordinary docking methods where the calculation uses fixed atomic coordinates from the reference structure rather than the restraints used to determine the reference structure. The binding site residues influenced by replacing the reference ligand by the new ligand were determined by monitoring differences in {sup 1}H chemical shifts. The method has been validated by showing the excellent agreement between structures of L. casei dihydrofolate reductase.trimetrexate calculated by conventional methods using a full experimentally determined set of restraints and those using this new restraint docking method based on an L. casei dihydrofolate reductase.methotrexate reference structure.

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

    Indian Academy of Sciences (India)

    Surjit B Dixit; Mihaly Mezei; David L Beveridge

    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 interactmore strongly with watermolecules 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 Å 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

  15. The reliability, validity, and usefulness of the Objective Structured Clinical Examination (OSCE) in dental education

    Science.gov (United States)

    Graham, Roseanna

    This study evaluated the reliability, validity, and educational usefulness of a comprehensive, multidisciplinary Objective Structured Clinical Examination (OSCE) in dental education. The OSCE was administered to dental students at the Columbia University College of Dental Medicine (CDM) before they entered clinical training. Participants in this study included CDM's class of 2010 which consisted of 78 students. The overall reliability of the examination was measured via calculation of Cronbach's alpha. Content validity was examined through evaluation of the OSCE by three experienced clinical faculty members. Predictive validity was evaluated by correlating student grades on the OSCE to future clinical performance as measured by number of clinical points achieved during the third year of training. Student perceptions regarding the educational usefulness of the examination were evaluated through a 12-question Liken-type survey and focus group interviews analyzed using a phenomenological approach. Findings of the study indicated the OSCE was a highly reliable examination (alpha=0.86) with high content validity and a moderately high correlation to future clinical performance (r=.614, p<.0001). Overall, student perceptions of the educational usefulness of the OSCE were positive as based on their responses to a 5-point Likert scale (1=strongly disagree and 5=strongly agree). They reported that the exam required the ability to think critically and problem-solve (4.0 +/- 0.85), assessed clinically relevant skills (4.59 +/- 0.69), helped identify clinical weaknesses (4.16 +/- 0.90), and was a learning experience (4.58 +/- 0.84). Findings from the qualitative portion of the study identified four main themes including the student perception that the OSCE is a unique assessment experience that required integration and application of knowledge. Recommendations for the use of the OSCE to improve clinical teaching and the implications of this study relating to the expanded use of

  16. Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.

    Science.gov (United States)

    Bottaro, Sandro; Lindorff-Larsen, Kresten; Best, Robert B

    2013-12-10

    The development of accurate implicit solvation models with low computational cost is essential for addressing many large-scale biophysical problems. Here, we present an efficient solvation term based on a Gaussian solvent-exclusion model (EEF1) for simulations of proteins in aqueous environment, with the primary aim of having a good overlap with explicit solvent simulations, particularly for unfolded and disordered states - as would be needed for multiscale applications. In order to achieve this, we have used a recently proposed coarse-graining procedure based on minimization of an entropy-related objective function to train the model to reproduce the equilibrium distribution obtained from explicit water simulations. Via this methodology, we have optimized both a charge screening parameter and a backbone torsion term against explicit solvent simulations of an α-helical and a β-stranded peptide. The performance of the resulting effective energy function, termed EEF1-SB, is tested with respect to the properties of folded proteins, the folding of small peptides or fast-folding proteins, and NMR data for intrinsically disordered proteins. The results show that EEF1-SB provides a reasonable description of a wide range of systems, but its key advantage over other methods tested is that it captures very well the structure and dimension of disordered or weakly structured peptides. EEF1-SB is thus a computationally inexpensive (~ 10 times faster than Generalized-Born methods) and transferable approximation for treating solvent effects. PMID:24748852

  17. 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.

  18. Validation of an immersed thick boundary method for simulating fluid-structure interactions of deformable membranes

    Science.gov (United States)

    Sigüenza, J.; Mendez, S.; Ambard, D.; Dubois, F.; Jourdan, F.; Mozul, R.; Nicoud, F.

    2016-10-01

    This paper constitutes an extension of the work of Mendez et al. (2014) [36], for three-dimensional simulations of deformable membranes under flow. An immersed thick boundary method is used, combining the immersed boundary method with a three-dimensional modeling of the structural part. The immersed boundary method is adapted to unstructured grids for the fluid resolution, using the reproducing kernel particle method. An unstructured finite-volume flow solver for the incompressible Navier-Stokes equations is coupled with a finite-element solver for the structure. The validation process relying on a number of test cases proves the efficiency of the method, and its robustness is illustrated when computing the dynamics of a tri-leaflet aortic valve. The proposed immersed thick boundary method is able to tackle applications involving both thin and thick membranes/closed and open membranes, in significantly high Reynolds number flows and highly complex geometries.

  19. Out-of-sample validation for structured expert judgment of Asian carp establishment in Lake Erie.

    Science.gov (United States)

    Cooke, Roger M; Wittmann, Marion E; Lodge, David M; Rothlisberger, John D; Rutherford, Edward S; Zhang, Hongyan; Mason, Doran M

    2014-10-01

    Structured expert judgment (SEJ) is used to quantify the uncertainty of nonindigenous fish (bighead carp [Hypophthalmichthys nobilis] and silver carp [H. molitrix]) establishment in Lake Erie. The classical model for structured expert judgment model is applied. Forming a weighted combination (called a decision maker) of experts' distributions, with weights derived from performance on a set of calibration variables from the experts' field, exhibits greater statistical accuracy and greater informativeness than simple averaging with equal weights. New methods of cross validation are applied and suggest that performance characteristics relative to equal weighting could be predicted with a small number (1-2) of calibration variables. The performance-based decision maker is somewhat degraded on out-of-sample prediction, but remained superior to the equal weight decision maker in terms of statistical accuracy and informativeness.

  20. Out-of-sample validation for structured expert judgment of Asian carp establishment in Lake Erie.

    Science.gov (United States)

    Cooke, Roger M; Wittmann, Marion E; Lodge, David M; Rothlisberger, John D; Rutherford, Edward S; Zhang, Hongyan; Mason, Doran M

    2014-10-01

    Structured expert judgment (SEJ) is used to quantify the uncertainty of nonindigenous fish (bighead carp [Hypophthalmichthys nobilis] and silver carp [H. molitrix]) establishment in Lake Erie. The classical model for structured expert judgment model is applied. Forming a weighted combination (called a decision maker) of experts' distributions, with weights derived from performance on a set of calibration variables from the experts' field, exhibits greater statistical accuracy and greater informativeness than simple averaging with equal weights. New methods of cross validation are applied and suggest that performance characteristics relative to equal weighting could be predicted with a small number (1-2) of calibration variables. The performance-based decision maker is somewhat degraded on out-of-sample prediction, but remained superior to the equal weight decision maker in terms of statistical accuracy and informativeness. PMID:25044130

  1. Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures

    International Nuclear Information System (INIS)

    The maximum-likelihood free-kick target, which calculates model error estimates from the work set and a randomly displaced model, proved superior in the accuracy and consistency of refinement of crystal structures compared with the maximum-likelihood cross-validation target, which calculates error estimates from the test set and the unperturbed model. The refinement of a molecular model is a computational procedure by which the atomic model is fitted to the diffraction data. The commonly used target in the refinement of macromolecular structures is the maximum-likelihood (ML) function, which relies on the assessment of model errors. The current ML functions rely on cross-validation. They utilize phase-error estimates that are calculated from a small fraction of diffraction data, called the test set, that are not used to fit the model. An approach has been developed that uses the work set to calculate the phase-error estimates in the ML refinement from simulating the model errors via the random displacement of atomic coordinates. It is called ML free-kick refinement as it uses the ML formulation of the target function and is based on the idea of freeing the model from the model bias imposed by the chemical energy restraints used in refinement. This approach for the calculation of error estimates is superior to the cross-validation approach: it reduces the phase error and increases the accuracy of molecular models, is more robust, provides clearer maps and may use a smaller portion of data for the test set for the calculation of Rfree or may leave it out completely

  2. Validation of New Process Models for Large Injection-Molded Long-Fiber Thermoplastic Composite Structures

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Kunc, Vlastimil; Tucker III, Charles L.

    2012-02-23

    This report describes the work conducted under the CRADA Nr. PNNL/304 between Battelle PNNL and Autodesk whose objective is to validate the new process models developed under the previous CRADA for large injection-molded LFT composite structures. To this end, the ARD-RSC and fiber length attrition models implemented in the 2013 research version of Moldflow was used to simulate the injection molding of 600-mm x 600-mm x 3-mm plaques from 40% glass/polypropylene (Dow Chemical DLGF9411.00) and 40% glass/polyamide 6,6 (DuPont Zytel 75LG40HSL BK031) materials. The injection molding was performed by Injection Technologies, Inc. at Windsor, Ontario (under a subcontract by Oak Ridge National Laboratory, ORNL) using the mold offered by the Automotive Composite Consortium (ACC). Two fill speeds under the same back pressure were used to produce plaques under slow-fill and fast-fill conditions. Also, two gating options were used to achieve the following desired flow patterns: flows in edge-gated plaques and in center-gated plaques. After molding, ORNL performed measurements of fiber orientation and length distributions for process model validations. The structure of this report is as follows. After the Introduction (Section 1), Section 2 provides a summary of the ARD-RSC and fiber length attrition models. A summary of model implementations in the latest research version of Moldflow is given in Section 3. Section 4 provides the key processing conditions and parameters for molding of the ACC plaques. The validations of the ARD-RSC and fiber length attrition models are presented and discussed in Section 5. The conclusions will be drawn in Section 6.

  3. Factor structure and construct validity of the Behavioral Dyscontrol Scale-II.

    Science.gov (United States)

    Shura, Robert D; Rowland, Jared A; Yoash-Gantz, Ruth E

    2015-01-01

    The Behavioral Dyscontrol Scale-II (BDS-II) was developed as an improved scoring method to the original BDS, which was designed to evaluate the capacity for independent regulation of behavior and attention. The purpose of this study was to evaluate the factor structure and construct validity of the BDS-II, which had not been adequately re-examined since the development of the new scoring system. In a sample of 164 Veterans with a mean age of 35 years, exploratory factor analysis was used to evaluate BDS-II latent factor structure. Correlations and regressions were used to explore validity against 22 psychometrically sound neurocognitive measures across seven neurocognitive domains of sensation, motor output, processing speed, attention, visual-spatial reasoning, memory, and executive functions. Factor analysis found a two-factor solution for this sample which explained 41% of the variance in the model. Validity analyses found significant correlations among the BDS-II scores and all other cognitive domains except sensation and language (which was not evaluated). Hierarchical regressions revealed that PASAT performance was strongly associated with all three BDS-II scores; dominant hand Finger Tapping Test was also associated with the Total score and Factor 1, and CPT-II Commissions was also associated with Factor 2. These results suggest the BDS-II is both a general test of cerebral functioning, and a more specific test of working memory, motor output, and impulsivity. The BDS-II may therefore show utility with younger populations for measuring frontal lobe abilities and might be very sensitive to neurological injury. PMID:25650736

  4. 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.

  5. 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.

  6. Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Stefano Vanni

    Full Text Available Understanding the binding mode of agonists to adrenergic receptors is crucial to enabling improved rational design of new therapeutic agents. However, so far the high conformational flexibility of G protein-coupled receptors has been an obstacle to obtaining structural information on agonist binding at atomic resolution. In this study, we report microsecond classical molecular dynamics simulations of β(1 and β(2 adrenergic receptors bound to the full agonist isoprenaline and in their unliganded form. These simulations show a novel agonist binding mode that differs from the one found for antagonists in the crystal structures and from the docking poses reported by in silico docking studies performed on rigid receptors. Internal water molecules contribute to the stabilization of novel interactions between ligand and receptor, both at the interface of helices V and VI with the catechol group of isoprenaline as well as at the interface of helices III and VII with the ethanolamine moiety of the ligand. Despite the fact that the characteristic N-C-C-OH motif is identical in the co-crystallized ligands and in the full agonist isoprenaline, the interaction network between this group and the anchor site formed by Asp(3.32 and Asn(7.39 is substantially different between agonists and inverse agonists/antagonists due to two water molecules that enter the cavity and contribute to the stabilization of a novel network of interactions. These new binding poses, together with observed conformational changes in the extracellular loops, suggest possible determinants of receptor specificity.

  7. Predicting IQ change from brain structure: A cross-validation study

    Science.gov (United States)

    Price, C.J.; Ramsden, S.; Hope, T.M.H.; Friston, K.J.; Seghier, M.L.

    2013-01-01

    Procedures that can predict cognitive abilities from brain imaging data are potentially relevant to educational assessments and studies of functional anatomy in the developing brain. Our aim in this work was to quantify the degree to which IQ change in the teenage years could be predicted from structural brain changes. Two well-known k-fold cross-validation analyses were applied to data acquired from 33 healthy teenagers – each tested at Time 1 and Time 2 with a 3.5 year interval. One approach, a Leave-One-Out procedure, predicted IQ change for each subject on the basis of structural change in a brain region that was identified from all other subjects (i.e., independent data). This approach predicted 53% of verbal IQ change and 14% of performance IQ change. The other approach used half the sample, to identify regions for predicting IQ change in the other half (i.e., a Split half approach); however – unlike the Leave-One-Out procedure – regions identified using half the sample were not significant. We discuss how these out-of-sample estimates compare to in-sample estimates; and draw some recommendations for k-fold cross-validation procedures when dealing with small datasets that are typical in the neuroimaging literature. PMID:23567505

  8. Validation of bonded composite doubler technology through application oriented structural testing

    Science.gov (United States)

    Roach, Dennis; Graf, Darin

    1996-01-01

    One of the major thrusts established under the FAA's National Aging Aircraft Research Program is to foster new technologies associated with civil aircraft maintenance. Recent DOD and other government developments in the use of bonded composite patches on metal structures has supported the need for research and validation of such doubler applications on U.S. certificated airplanes. Composite patching is a rapidly maturing technology which shows promise of cost savings on aging aircraft. Sandia Labs is conducting a proof-of-concept project with Delta Air Lines, Lockheed Martin, Textron, and the FAA which seeks to remove any remaining obstacles to the approved use of composite doublers. By focusing on a specific commercial aircraft application - reinforcement of the L-1011 door frame - and encompassing all 'cradle-to-grave' tasks such as design, analysis, installation, and inspection, this program is designed to prove the capabilities of composite doublers. This paper reports on a series of structural tests which have been conducted on coupons and subsize test articles. Tension-tension fatigue and residual strength tests attempted to grow engineered flaws in coupons with composite doublers bonded to aluminum skin. Also, structures which modeled key aspects of the door corner installation were subjected to extreme tension, shear, and bending loads. In this manner it was possible to study strain fields in and around the Lockheed-designed composite doubler using realistic aircraft load scenarios and to assess the potential for interply delaminations and disbonds between the aluminum and the laminate. The data acquired was also used to validate finite element models (FEM) and associated Damage Tolerance Analyses.

  9. Objective Structured Clinical Examinations Provide Valid Clinical Skills Assessment in Emergency Medicine Education

    Directory of Open Access Journals (Sweden)

    Wallenstein, Joshua

    2014-12-01

    Full Text Available Introduction: Evaluation of emergency medicine (EM learners based on observed performance in the emergency department (ED is limited by factors such as reproducibility and patient safety. EM educators depend on standardized and reproducible assessments such as the objective structured clinical examination (OSCE. The validity of the OSCE as an evaluation tool in EM education has not been previously studied. The objective was to assess the validity of a novel management-focused OSCE as an evaluation instrument in EM education through demonstration of performance correlation with established assessment methods and case item analysis. Methods: We conducted a prospective cohort study of fourth-year medical students enrolled in a required EM clerkship. Students enrolled in the clerkship completed a five-station EM OSCE. We used Pearson’s coefficient to correlate OSCE performance with performance in the ED based on completed faculty evaluations. Indices of difficulty and discrimination were computed for each scoring item. Results: We found a moderate and statistically-significant correlation between OSCE score and ED performance score [r(239 =0.40, p<0.001]. Of the 34 OSCE testing items the mean index of difficulty was 63.0 (SD =23.0 and the mean index of discrimination was 0.52 (SD =0.21. Conclusion: Student performance on the OSCE correlated with their observed performance in the ED, and indices of difficulty and differentiation demonstrated alignment with published best-practice testing standards. This evidence, along with other attributes of the OSCE, attest to its validity. Our OSCE can be further improved by modifying testing items that performed poorly and by examining and maximizing the inter-rater reliability of our evaluation instrument. [West J Emerg Med. 2015;16(1:121–126.

  10. 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.

  11. Validation of Flight Control Law Based on LFT and Structured Singular Value

    Institute of Scientific and Technical Information of China (English)

    ZHOU Xi; LIU Lin; CHEN Zong-ji; DUAN Hai-bin

    2007-01-01

    The main goal of flight clearance is to use the structured singular value (μ) analysis of the flight control system when some parameters in the system vary in a certain range. As theμ-analysis can only be done on a linear fractional transformation (LFT) model, the first step of flight clearance is to generate the LFT model of the flight control system. In this paper, based on the introduction of basic theory of LFT and μ-analysis, an X-fighter is chosen as an example to utilize the proposed methods. In order to realize the flight clearance process automatically, a novel software package based on MATLAB programming language is developed. The results of simulation experiments validate the feasibility and effectiveness of the novel methods proposed in this paper.

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

    Science.gov (United States)

    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 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. PMID:27551270

  13. [Voice-related quality of life: structure, validity and factors of the German questionnaire].

    Science.gov (United States)

    Schwanfelder, Carla; Eysholdt, Ulrich; Rosanowski, Frank; Graessel, Elmar

    2008-01-01

    In this study, structure and validity of the German version of the Voice-Related Quality of Life (V-RQOL) questionnaire and its correlation to age, gender, and type of dysphonia (organic vs. functional) were assessed. Correlations of the V-RQOL result on the one hand and emotional and physical complaints on the other hand were investigated. Data were collected in 62 adult patients with dysphonia of benign origin and the following results were found: the German version of the V-RQOL questionnaire describes voice-related quality of life in one single value. Age, gender and type of dysphonia do not influence its result. Dysphonic patients present with an increased number of emotional and physical complaints when compared with normative values derived from the literature. However, not all of these complaints correlate with voice-related quality of life at a significant level.

  14. Validation of a computer based objective structured clinical examination in the assessment of undergraduate dermatology courses

    Directory of Open Access Journals (Sweden)

    Feroze Kaliyadan

    2014-01-01

    Full Text Available Many teaching centers have now adopted objective structured clinical examination (OSCE as an assessment method for undergraduate dermatology courses. A modification of the standard OSCE in dermatology is computer based or electronic OSCE (eOSCE. We attempted to validate the use of a computer-based OSCE in dermatology in a group of fifth year medical students. The scores of the students in the computer-based OSCE showed a strong positive correlation with the scores on the clinical presentation (Pearson′s co-efficient - 0.923, P value <0.000, significant at the 0.01 level and a good correlation with overall scores of the student (Pearson′s co-efficient - 0.728, P value <0.000, significant at the 0.01 level, indicating that this is a reliable method for assessment in dermatology. Generally, the students′ feedback regarding the methods was positive.

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

    Science.gov (United States)

    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 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. PMID:27551270

  16. 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.

  17. Investigating the validity of a structured interview protocol for assessing the preferences of children with autism spectrum disorders

    NARCIS (Netherlands)

    Verschuur, R.; Didden, H.C.M.; Meer, L. van der; Achmadi, D.; Kagohara, D.; Green, V.A.; Lang, R.; Lancioni, G.E.

    2011-01-01

    PURPOSE: To investigate the congruent validity of a structured interview protocol for assessing the preferences of seven children with autism spectrum disorder (ASD). METHOD: Using the structured interview protocol described by Green et al., parents were asked to provide a rank ordering of their chi

  18. The Structural Validity of the Perceived Traits of the "Ideal Student" Multi-Faceted Theory among Education Students

    Science.gov (United States)

    Maslovaty, Nava; Cohen, Arie; Furman, Sari

    2008-01-01

    The article presents a multi-faceted theory of "ideal high school student" traits. The trait system, as defined by several theories, is a translation of the teachers' belief system into educational objectives. The study focused on Bloom's taxonomies and the structural validity of its principles, using Similarity Structure Analysis. Aware of the…

  19. Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

    Science.gov (United States)

    Orellana, Laura; Yoluk, Ozge; Carrillo, Oliver; Orozco, Modesto; Lindahl, Erik

    2016-08-01

    Protein conformational changes are at the heart of cell functions, from signalling to ion transport. However, the transient nature of the intermediates along transition pathways hampers their experimental detection, making the underlying mechanisms elusive. Here we retrieve dynamic information on the actual transition routes from principal component analysis (PCA) of structurally-rich ensembles and, in combination with coarse-grained simulations, explore the conformational landscapes of five well-studied proteins. Modelling them as elastic networks in a hybrid elastic-network Brownian dynamics simulation (eBDIMS), we generate trajectories connecting stable end-states that spontaneously sample the crystallographic motions, predicting the structures of known intermediates along the paths. We also show that the explored non-linear routes can delimit the lowest energy passages between end-states sampled by atomistic molecular dynamics. The integrative methodology presented here provides a powerful framework to extract and expand dynamic pathway information from the Protein Data Bank, as well as to validate sampling methods in general.

  20. Hydrologic validation of a structure-from-motion DEM derived from low-altitude UAV imagery

    Science.gov (United States)

    Steiner, Florian; Marzolff, Irene; d'Oleire-Oltmanns, Sebastian

    2015-04-01

    The increasing ease of use of current Unmanned Aerial Vehicles (UAVs) and 3D image processing software has spurred the number of applications relying on high-resolution topographic datasets. Of particular significance in this field is "structure from motion" (SfM), a photogrammetric technique used to generate low-cost digital elevation models (DEMs) for erosion budgeting, measuring of glaciers/lava-flows, archaeological applications and others. It was originally designed to generate 3D-models of buildings, based on unordered collections of images and has become increasingly common in geoscience applications during the last few years. Several studies on the accuracy of this technique already exist, in which the SfM data is mostly compared with Lidar-generated terrain data. The results are mainly positive, indicating that the technique is suitable for such applications. This work aims at validating very high resolution SfM DEMs with a different approach: Not the original elevation data is validated, but data on terrain-related hydrological and geomorphometric parameters derived from the DEM. The study site chosen for this analysis is an abandoned agricultural field near the city of Taroudant, in the semi-arid southern part of Morocco. The site is characterized by aggressive rill and gully erosion and is - apart from sparsely scattered shrub cover - mainly featureless. An area of 5.7 ha, equipped with 30 high-precision ground control points (GCPs), was covered with an unmanned aerial vehicle (UAV) in two different heights (85 and 170 m). A selection of 160 images was used to generate several high-resolution DEMs (2 and 5 cm resolution) of the area using the fully automated SfM software AGISOFT Photoscan. For comparison purposes, a conventional photogrammetry-based workflow using the Leica Photogrammetry Suite was used to generate a DEM with a resolution of 5 cm (LPS DEM). The evaluation is done by comparison of the SfM DEM with the derived orthoimages and the LPS DEM

  1. [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.

  2. Validating estimates of the growth rate of structure with modified gravity simulations

    CERN Document Server

    Barreira, Alexandre; Schmidt, Fabian

    2016-01-01

    We perform a consistent end-to-end validation of estimates of the growth rate of structure, described by the parameter combination $f\\sigma_8$, in modified gravity cosmologies. We consider an analysis pipeline based on the redshift-space distortion modelling of the clustering wedges statistic of the galaxy correlation function and apply it to mock catalogues of $\\Lambda{\\rm CDM}$ and the normal branch of DGP cosmologies. We employ a halo occupation distribution approach to construct our mocks, which we ensure resemble the CMASS sample from BOSS in terms of the total galaxy number density and large scale amplitude of the power spectrum monopole. We show that the clustering wedges model successfully recovers the true growth rate difference between DGP and $\\Lambda{\\rm CDM}$, even for cases with over 40% enhancement in $f\\sigma_8$ compared to $\\Lambda{\\rm CDM}$. The unbiased performance of the clustering wedges model allows us to use the growth rate values estimated from the BOSS LOWZ and CMASS samples to constr...

  3. Structural damage localization by outlier analysis of signal-processed mode shapes - Analytical and experimental validation

    Science.gov (United States)

    Ulriksen, M. D.; Damkilde, L.

    2016-02-01

    Contrary to global modal parameters such as eigenfrequencies, mode shapes inherently provide structural information on a local level. Therefore, this particular modal parameter and its derivatives are utilized extensively for damage identification. Typically, more or less advanced mathematical methods are employed to identify damage-induced discontinuities in the spatial mode shape signals, hereby, potentially, facilitating damage detection and/or localization. However, by being based on distinguishing damage-induced discontinuities from other signal irregularities, an intrinsic deficiency in these methods is the high sensitivity towards measurement noise. In the present paper, a damage localization method which, compared to the conventional mode shape-based methods, has greatly enhanced robustness towards measurement noise is proposed. The method is based on signal processing of a spatial mode shape by means of continuous wavelet transformation (CWT) and subsequent application of a generalized discrete Teager-Kaiser energy operator (GDTKEO) to identify damage-induced mode shape discontinuities. In order to evaluate whether the identified discontinuities are in fact damage-induced, outlier analysis is conducted by applying the Mahalanobis metric to major principal scores of the sensor-located bands of the signal-processed mode shape. The method is tested analytically and benchmarked with other mode shape-based damage localization approaches on the basis of a free-vibrating beam and validated experimentally in the context of a residential-sized wind turbine blade subjected to an impulse load.

  4. Calibration and validation of FLFArs -- a new flood loss function for Australian residential structures

    Science.gov (United States)

    Hasanzadeh Nafari, R.; Ngo, T.; Lehman, W.

    2016-01-01

    Rapid urbanisation, climate change and unsustainable developments are increasing the risk of floods. Flood is a frequent natural hazard that has significant financial consequences for Australia. The emergency response system in Australia is very successful and has saved many lives over the years. However, the preparedness for natural disaster impacts in terms of loss reduction and damage mitigation has been less successful. In this paper, a newly derived flood loss function for Australian residential structures (FLFArs) has been presented and calibrated by using historic data collected from an extreme event in Queensland, Australia, that occurred in 2013. Afterwards, the performance of the method developed in this work (contrasted to one Australian model and one model from USA) has been compared with the observed damage data collected from a 2012 flood event in Maranoa, Queensland. Based on this analysis, validation of the selected methodologies has been performed in terms of Australian geographical conditions. Results obtained from the new empirically based function (FLFArs) and the other models indicate that it is apparent that the precision of flood damage models is strongly dependent on selected stage damage curves, and flood damage estimation without model calibration might result in inaccurate predictions of losses. Therefore, it is very important to be aware of the associated uncertainties in flood risk assessment, especially if models have not been calibrated with real damage data.

  5. 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)

  6. Cross-Validation of the Factor Structure of the Aberrant Behavior Checklist for Persons with Mental Retardation.

    Science.gov (United States)

    Bihm, Elson M.; Poindexter, Ann R.

    1991-01-01

    The original factor structure of the Aberrant Behavior Checklist was cross-validated with a U.S. sample of 470 persons with moderate to profound mental retardation (27 percent nonambulatory). Results replicated previous findings, suggesting that the original five factors (irritability, lethargy, stereotypic behavior, hyperactivity, and…

  7. The Strengths and Difficulties Questionnaire (SDQ): The Factor Structure and Scale Validation in U.S. Adolescents

    Science.gov (United States)

    He, Jian-Ping; Burstein, Marcy; Schmitz, Anja; Merikangas, Kathleen R.

    2013-01-01

    The Strengths and Difficulties Questionnaire (SDQ) is one of the most commonly used instruments for screening psychopathology in children and adolescents. This study evaluated the hypothesized five-factor structure of the SDQ and examined its convergent validity against comprehensive clinical diagnostic assessments. Data were derived from the…

  8. [New biological active derivatives of indomethacin and acetylsalicylic acid. Synthesis, physico-chemical characterisation and structure validation].

    Science.gov (United States)

    Stan, Catalina; Stefanache, Alina; Dumitrache, M

    2006-01-01

    It is well known that niflumic acid glycinamide has a good antiinflammatory action useful in gum inflammatory diseases. The objective of this study was to obtain new glycinamides of acetylsalicylic acid and indomethacin, which could have a better antiinflammatory action than niflumic acid glycinamide. The study presents the synthesis, physico-chemical characterisation and structure validation of these glycinamides.

  9. 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…

  10. Structure and validity of Family Harmony Scale: An instrument for measuring harmony.

    Science.gov (United States)

    Kavikondala, Sushma; Stewart, Sunita M; Ni, Michael Y; Chan, Brandford H Y; Lee, Paul H; Li, Kin-Kit; McDowell, Ian; Johnston, Janice M; Chan, Sophia S; Lam, T H; Lam, Wendy W T; Fielding, Richard; Leung, Gabriel M

    2016-03-01

    Culture plays a role in mental health, partly by defining the characteristics that are indicative of positive adjustment. In Chinese cultures, positive family relationships are considered central to well-being. The culturally emphasized characteristic of family harmony may be an important factor associated with psychopathology. This article presents the development and psychometric examination of the Family Harmony Scale (FHS), an indigenously developed 24-item instrument tapping family harmony in 17,461 Hong Kong residents from 7,791 households. A higher-order model with 1 second-order factor and 5 first-order factors fit the data well and showed factorial invariance across sex and participants in different family roles. A 5-item short form (FHS-5) was also developed, with 1 item from each first-order factor. The short scale showed, as expected, a single-factor structure with good fit. Both scales demonstrated high internal consistency, acceptable test-retest reliability, and good convergent and discriminant validity. The 24-item FHS was negatively associated with depressive symptoms after accounting for individual risk factors and general family function. Family harmony moderated the relationship between life stress and depressive symptoms such that those individuals who reported low family harmony had stronger associations between life stress and depressive symptoms. This study adds to the literature a systematically developed, multidimensional measure of family harmony, which may be an important psychological protective factor, in a large urban Chinese sample. The FHS-5 minimizes operational and respondent burdens, making it an attractive tool for large-scale epidemiological studies with Chinese populations in urban settings, where over half of China's 1.4 billion people reside. PMID:26146946

  11. Computation and Validation of Fluid/Structure Twin Tail Buffet Response

    Science.gov (United States)

    Massey, Steven J.; Kandil, Osama A.; Sheta, Essam F.; Liu, C. H.

    1996-01-01

    The buffet response of the flexible twin-tail/delta wing configuration, a multidisciplinary problem, is solved using three sets of equations on a multi-block grid structure. The first set is the unsteady, compressible, full Navier-Stokes equations which are used for obtaining the flow-field vector and the aerodynamic loads on the twin tails. The second set is the coupled aeroelastic equations which are used for obtaining the bending and torsional deflections of the twin tails. The third set is the grid-displacement equations which are used for updating the grid coordinates due to the tail deflections. The computational model is similar to the one used by Washburn et. al. which consists of a delta wing of aspect ratio one and twin tails with taper ratios of 0.23. The vortex of the twin tails are located at the wing trailing edge. The configuration is pitched at 30 deg angle of attack, and the freestream Mach number and Reynolds number are 0.3 and 1.25 million, respectively. With the twin tails fixed as rigid surfaces, the problem is solved for the initial flow conditions. Next, the problem is solved for the twin tail response for uncoupled bending and torsional vibrations due to the unsteady loads produced by the vortex breakdown flow of the leading-edge vortex cores. The configuration is investigated for three spanwise positions of the twin tails; inboard, midspan and outboard locations. The computational results are validated and are in very good agreement with the experimental data of Washburn, et. al.

  12. AOCS Performance and Stability Validation for a 160-m Solar Sail with Control-Structure Interactions

    Science.gov (United States)

    Wie, Bong; Murphy, David

    2005-01-01

    Future solar sail missions, such as NASA's Solar Polar Imager Vision, will require sails with dimensions on the order of 50-500 m. We are examining a square sail design with moving mass (trim control mass, TCM) and quadrant rotation primary actuators plus pulsed plasma thrusters (PPTs) at the mast tips for backup attitude control. Quadrant rotation is achieved via roll stabilizer bars (RSB) at the mast tips. At these sizes, given the gossamer nature of the sail supporting structures, flexible modes may be low enough to interact with the control system, especially as these actuators are located on the flexible structure itself and not on the rigid core. This paper develops a practical analysis of the flexible interactions using state-space systems and modal data from finite element models of the system. Torsion and bending of the masts during maneuvers could significantly affect the function of the actuators while activation of the membrane modes could adversely affect the thrust vector direction and magnitude. Analysis of the RSB and TCM dynamics for developing high-fidelity simulations is included. For control analysis of the flexible system, standard finite-element models of the flexible sail body are loaded and the modal data is used to create a modal coordinate state-space system. Key parameters include which modes to include, which nodes are of interest for force inputs and displacement outputs, connecting nodes through which external forces and torques are applied from the flex body to the core, any nominal momentum in the system, and any steady rates. The system is linearized about the nominal attitude and rate. The state-space plant can then be analyzed with a state-space controller, and Bode, Nyquist, step and impulse responses generated. The approach is general for any rigid core with a flexible appendage. This paper develops a compensator for a simple two-mass flex system and extrapolates the results to the solar sail. A finite element model of the 20 m

  13. Validation of HFCS-I on Calculation of High-Frequency Parameters of Helical Slow-Wave Structures

    Science.gov (United States)

    Zhu, Xiaofang; Yang, Zhonghai; Li, Bin; Li, Jianqing; Xu, Li

    2010-02-01

    To validate HFCS-I, a newly developed design tool for high frequency circuits of microwave tubes, the high-frequency parameters (including dispersion, interaction impedance and attenuation constant) of a typical helical slow-wave structure (SWS) for millimetre wave travelling-wave tube are calculated by HFCS-I and MAFIA. Both the direct calculation method and the Non-Resonant Perturbation (NRP) technique are adopted to get the interaction impedance. The obtained high-frequency parameters from HFCS-I and MAFIA are compared in detail and the consistency has proved the reliability and validity of HFCS-I.

  14. 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......, exhibiting satisfactory construct validity, including factorspecific links to the model of adult attachment (Bartholomew & Horowitz, 1991), and independent factor discrimination between subgroups. A robust validation supports the application of the ECR-RS to assessing relationship-specific adolescent...

  15. 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

    2016-08-01

    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. PMID:27304856

  16. $C_6$ coefficients and dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table

    CERN Document Server

    Gould, Tim

    2016-01-01

    Using time-dependent density functional theory (tdDFT) with exchange kernels we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ns in rows 1-6 of the periodic table. These are then integrated over frequency to produce $C_6$ 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. Parametrisations are presented for 411+ atoms and ions, allowing results to be easily used by other researchers. A curious relationship, $C_{6,XY}\\propto [\\alpha_X(0)\\alpha_Y(0)]^{0.73}$ is found between $C_6$ coefficients and static polarizabilities $\\alpha(0)$. The relationship $C_{6,XY}=2C_{6,X}C_{6,Y}/[\\alpha_X/\\alpha_YC_{6,Y}+\\alpha_Y/\\alpha_XC_{6,X}]$ is tested and found to work well ($30$\\% errors) in a small fraction of cases.

  17. On-orbit validation system for space structure composite actuators Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR project delivers an On-orbit Validation System (OVS) that provides performance and durability data for Macro Fiber Composite (MFC) active piezocomposite...

  18. 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 was to deter......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...... was to determine the structural and construct validity of the WDQ in individuals with acute WAD. STUDY DESIGN/SETTING: This was a cohort study. PATIENT SAMPLE: Ontario adults with WAD were enrolled within 3 weeks of their motor vehicle collision. OUTCOME MEASURES: The outcome measure was the WDQ. METHODS: 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...

  19. 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.

  20. Generation and structural validation of a library of diverse xyloglucan-derived oligosaccharides, including an update on xyloglucan nomenclature.

    Science.gov (United States)

    Tuomivaara, Sami T; Yaoi, Katsuro; O'Neill, Malcolm A; York, William S

    2015-01-30

    Xyloglucans are structurally complex plant cell wall polysaccharides that are involved in cell growth and expansion, energy metabolism, and signaling. Determining the structure-function relationships of xyloglucans would benefit from the availability of a comprehensive and structurally diverse collection of rigorously characterized xyloglucan oligosaccharides. Here, we present a workflow for the semi-preparative scale generation and purification of neutral and acidic xyloglucan oligosaccharides using a combination of enzymatic and chemical treatments and size-exclusion chromatography. Twenty-six of these oligosaccharides were purified to near homogeneity and their structures validated using a combination of matrix-assisted laser desorption/ionization mass spectrometry, high-performance anion exchange chromatography, and 1H nuclear magnetic resonance spectroscopy. Mass spectrometry and analytical chromatography were compared as methods for xyloglucan oligosaccharide quantification. 1H chemical shifts were assigned using two-dimensional correlation spectroscopy. A comprehensive update of the nomenclature describing xyloglucan side-chain structures is provided for reference. PMID:25497333

  1. 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.

  2. Psychometric Validation of the Korean Version of Structured Interview for Post-traumatic Stress Disorder (K-SIP)

    OpenAIRE

    Kim, Won; Kim, Daeho; Seo, Ho-Jun; Lee, Sang-Yeol; Ryu, Seung-Ho; Kim, Jung-Bum; Chung, Moon Yong; Koo, Young Jin; Ryu, Seong Gon; Kim, Eui Jung; Kim, Tae-Suk; Lim, Hyun-Kook; Woo, Jong-Min; Chae, Jeong-Ho; ,

    2009-01-01

    For diagnosis and management of post-traumatic stress disorder (PTSD), the easily administered assessment tool is essential. Structured Interview for PTSD (SIP) is a validated, 17-item, simple measurement being used widely. We aimed to develop the Korean version of SIP (K-SIP) and investigated its psychometric properties. Ninety-three subjects with PTSD, 73 subjects with mood disorder or anxiety disorder as a psychiatric control group, and 88 subjects as a healthy control group were enrolled ...

  3. A Quantitative Structure Activity Relationship for acute oral toxicity of pesticides on rats: Validation, Domain of Application and Prediction

    OpenAIRE

    Hamadache, Mabrouk; Benkortbi, Othmane; Hanini, Salah; Amrane, Abdeltif; Khaouane, Latifa; Si Moussa, Cherif

    2016-01-01

    International audience Quantitative Structure Activity Relationship (QSAR) models are expected to play an important role in the risk assessment of chemicals on humans and the environment. In this study, we developed a validated QSAR model to predict acute oral toxicity of 329 pesticides to rats because a few QSAR models have been devoted to predict the Lethal Dose 50 (LD50) of pesticides on rats. This QSAR model is based on 17 molecular descriptors, and is robust, externally predictive and...

  4. Development of the clinical learning evaluation questionnaire for undergraduate clinical education: Factor structure, validity, and reliability study

    OpenAIRE

    AlHaqwi, Ali I; Kuntze, Jeroen; van der Molen, Henk

    2014-01-01

    textabstractBackground: Teaching and learning of clinical skills for undergraduate medical students usually takes place during the clinical clerkship. Therefore, it is of vital importance to ensure the effectiveness of the rotations within this clerkship. The aims of this study were to develop an instrument that measures the effectiveness of the clinical learning environment, to determine its factor structure, and to find first evidence for the reliability and validity of the total scale and ...

  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. Age Differences in Personality Structure Revisited: Studies in Validity, Stability, and Change

    Science.gov (United States)

    Costa, Paul T., Jr.; McCrae, Robert R.

    1978-01-01

    Construct validity and longitudinal stability evidence for three cluster dimensions of personality identified as Anxiety, Extraversion, and Openness is examined in a sample of adult males. Correlations with Allport-Vernon-Lindsay Value scales, Cornell Medical Index scores, Eysenck E and N scales, and factors from the SVIB are presented. (Author)

  7. Validation of standardized and structured EHR data in the dual model approach.

    Science.gov (United States)

    Rinner, Christoph; Duftschmid, Georg

    2009-01-01

    We present a W3C XML Schema-based method to validate standardized EHR data against semantic constraints that build the knowledge layer within the dual model approach. The approach was tested with three EN/ISO13606 archetypes and an HL7 CDA implementation guide for diabetes therapies. PMID:19745278

  8. 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

    , and either 2-year (exercises 1 and 2) or 1-year (exercise 3) scans from 147 patients with SpA assessed blinded to timepoint. Interobserver reliability was assessed by intraclass correlation coefficient (ICC) and smallest detectable change (SDC). RESULTS: Interobserver reliability for status score was good...... 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...

  9. 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.

  10. VALIDATING QUALITY PROCESS MANAGEMENT INSTRUMENT FOR HIGHER EDUCATION USING STRUCTURAL EQUATION MODELLING

    Directory of Open Access Journals (Sweden)

    David Jimoh Kayode

    2016-06-01

    Full Text Available This study attempts to validate process management scale using rigorous validation procedures. An adapted questionnaire comprising 77 items was administered to faculty members in two public universities in Nigeria. The data gathered were analyzed using exploratory factor analysis and confirmatory factor analysis with SPSS 20.0 and SmartPLS 3.1.2 respectively. The findings of this study shows that process management is a third order reflective model with multidimensional constructs. The two dimension of process management administrative process and academic process has four and five dimensions respectively. The process management scale will therefore facilitate the identifications of elements that influence the effectiveness of higher education. The practical implications and methodological limitations are discussed.

  11. Latent structure of the French Validation of the Ambivalent Sexism Inventory: Echelle de Sexisme Ambivalent

    OpenAIRE

    Dardenne, Benoît; Delacollette, Nathalie; Grégoire, Christine; Lecocq, Delphine

    2006-01-01

    Glick and Fiske's (1996) Ambivalent Sexism Inventory is a measure of hostile sexism (sexist antipathy) and benevolent sexism (a subjectively positive attitude toward women). This paper proposes a French version of this scale, the Echelle de Sexisme Ambivalent (ESA). Three studies on more than 1000 participants established the validity of this new scale. The first one is the application of Rasch's extended model that confirmed the psychometrical qualities of the ESA, for both male and female p...

  12. A Study of Factor Structur, Validity and Reliabileaty of Pro-social Tendencies

    Directory of Open Access Journals (Sweden)

    Mohammdbagher Kajbaf

    2010-07-01

    Full Text Available AbstractThe purpose of this study is to examine the validity and reliability of pro-social tendencies scale amongstudents at the university of Isfahan. The population in this study compised whole undergraduate students ofthe university of Isfahan in the educational year 1387-88. By using a simple randomized samplingcommensurate with Cohen & others (2000 formula, some 300 subjects were selected. Scales usedconcurrently were: Carlo et al's pro-social tendencies (with 25 items, Rushton et al's global pro-socialbehavior (with 20 items, Davis' empathic concern (with 7 items, Nickell et al's altruistic Values (with 4items and Steele et al's Social responsibility motivation (with 4 items. All of the above scales wereadministered concurrently for studying the validity and reliability of pro-social tendencies. Data wasanalyzed and studied using coronbach's Alpha, Spearman-Brown and Guttman's coefficients, factor analysis(with principal component and varimax rotation and concurrent validity (the correlation between scales.Results showed that the coronbach's Alpha for pro-social tendencies, global pro-social behavior, empathicconcern, altruistic values and social responsibility motivation were 0.861, 0.845, 0.600, 0.500 and 0.782respectively. The result of factor analysis showed five factors for pro-social tendencies: anonymouse, publicaltruistic,emotional, dire and compliant pro-social behaviors.

  13. Structural characterization of low level degradants in aztreonam injection and an innovative approach to aid HPLC method validation.

    Science.gov (United States)

    Ye, Qingmei; Ding, Wei; Rinaldi, Frank; Huang, Yande; Miller, Scott A; Bolgar, Mark

    2016-05-30

    Three new degradants have been identified from drug product and active pharmaceutical ingredient stability samples of aztreonam, a marketed synthetic monocyclic beta-lactam antibiotic. The degradants were detected following the implementation of a new, more selective HPLC method for the determination of impurities and degradants. The new method was developed in response to changes in the regulatory requirement for mature products. Two of the new unknown Degradants (I and II) were observed in chromatograms from stability samples of aztreonam injection. The third new Degradant (III) was observed during a stability study of the aztreonam active pharmaceutical ingredient. These degradants were structurally characterized. A small amount (ca. 1-3mg) of each degradant was isolated via preparative HPLC for structure elucidation using accurate MS, one and two-dimensional NMR spectroscopy. The small amount of each NMR sample was then reused as a standard for HPLC purity/impurity method validation. Their exact concentrations were determined using quantitative NMR which enabled the execution of the quantitative elements of the HPLC method validation. This innovative approach eliminated the need to isolate or synthesize larger quantities of markers for HPLC/UV method validation, thus saving significant time and reducing costs. PMID:26991056

  14. Validation of mechanical models for reinforced concrete structures: Presentation of the French project ``Benchmark des Poutres de la Rance''

    Science.gov (United States)

    L'Hostis, V.; Brunet, C.; Poupard, O.; Petre-Lazar, I.

    2006-11-01

    Several ageing models are available for the prediction of the mechanical consequences of rebar corrosion. They are used for service life prediction of reinforced concrete structures. Concerning corrosion diagnosis of reinforced concrete, some Non Destructive Testing (NDT) tools have been developed, and have been in use for some years. However, these developments require validation on existing concrete structures. The French project “Benchmark des Poutres de la Rance” contributes to this aspect. It has two main objectives: (i) validation of mechanical models to estimate the influence of rebar corrosion on the load bearing capacity of a structure, (ii) qualification of the use of the NDT results to collect information on steel corrosion within reinforced-concrete structures. Ten French and European institutions from both academic research laboratories and industrial companies contributed during the years 2004 and 2005. This paper presents the project that was divided into several work packages: (i) the reinforced concrete beams were characterized from non-destructive testing tools, (ii) the mechanical behaviour of the beams was experimentally tested, (iii) complementary laboratory analysis were performed and (iv) finally numerical simulations results were compared to the experimental results obtained with the mechanical tests.

  15. Finite element model validation of bridge based on structural health monitoring—Part I: Response surface-based finite element model updating

    OpenAIRE

    Zhouhong Zong; Xiaosong Lin; Jie Niu

    2015-01-01

    In the engineering practice, merging statistical analysis into structural evaluation and assessment is a tendency in the future. As a combination of mathematical and statistical techniques, response surface (RS) methodology has been successfully applied to design optimization, response prediction and model validation. With the aid of RS methodology, these two serial papers present a finite element (FE) model updating and validation method for bridge structures based on structural health monit...

  16. 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.

  17. Structure simulation in unidirectionally solidified turbine blade by dendrite envelope tracking model (Ⅱ): model validation and defects prediction

    Institute of Scientific and Technical Information of China (English)

    WANG Tong-min; SU Yan-qing; GUO Jing-jie; I. OHNAKA; H. YASUDA

    2006-01-01

    The developed model was validated by the checking of grain preferential growth orientation and the solidification experiment with low melting point alloy of Sn-21%Bi(mole fraction). It was also applied to predict the structure defects (e.g. stray grain) of unidirectionally solidified turbine blade. The results show that the developed model is reliable and has the following abilities: 1) reduce the misorientation caused by the orthogonal mesh used in simulation; 2) well reproduce the growth competition among the different-preferential-direction grains with less than 10% relative error; 3) predict the structure defect of stray grain with the accuracy over 80%; 4) optimize the grain selector to better obtain a single crystal avoiding the multigrain defect; 5) simulate the structure evolution (nucleation and growth) of the directional and single crystal turbine blade.

  18. The factorial structure and validity of the Hospital Anxiety and Depression Scale (HADS in Polish adolescents

    Directory of Open Access Journals (Sweden)

    Andreea Mihaela Mihalca

    2015-10-01

    The issues concerned with the factorial structure of HADS are replicated in Polish adolescents as well. HADS-Teen shows different structures in chronically ill versus healthy adolescents. Results indicate that a special attention must be paid when assessing depression symptoms in healthy adolescents using this instrument.

  19. Out-of-sample validation for structured expert judgment of Asian carp establishment in Lake Erie

    NARCIS (Netherlands)

    Cooke, R.M.; Wittmann, M.E.; Lodge, D.M.; Rothlisberger, J.D.; Rutherford, E.S.; Zhang, H.; Mason, D.M.

    2014-01-01

    Structured expert judgment (SEJ) is used to quantify the uncertainty of nonindigenous fish (bighead carp [Hypophthalmichthys nobilis] and silver carp [H. molitrix]) establishment in Lake Erie. The classical model for structured expert judgment model is applied. Forming a weighted combination (called

  20. Validation and Optimization of a Design Formula for Stable Geometrically Open Filter Structures

    NARCIS (Netherlands)

    Van de Sande, S.A.H.; Uijttewaal, W.S.J.; Verheij, H.J.

    2014-01-01

    Granular filters are used for protection against scour and erosion of base material. For a proper functioning it is necessary that at the interfaces between the filter structure, the subsoil and the water flowing above the filter structure no material will be transported. Different types of granular

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

    International Nuclear Information System (INIS)

    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)

  2. [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.

  3. Verification and Validation of Numerical Models for Air/Water Flow on Coastal and Navigation Fluid-Structure Interaction Applications

    Science.gov (United States)

    Kees, C. E.; Farthing, M.; Dimakopoulos, A.; DeLataillade, T.

    2015-12-01

    Performance analysis and optimization of coastal and navigation structures is becoming feasible due to recent improvements in numerical methods for multiphase flows and the steady increase in capacity and availability of high performance computing resources. Now that the concept of fully three-dimensional air/water flow modelling for real world engineering analysis is achieving acceptance by the wider engineering community, it is critical to expand careful comparative studies on verification,validation, benchmarking, and uncertainty quantification for the variety of competing numerical methods that are continuing to evolve. Furthermore, uncertainty still remains about the relevance of secondary processes such as surface tension, air compressibility, air entrainment, and solid phase (structure) modelling so that questions about continuum mechanical theory and mathematical analysis of multiphase flow are still required. Two of the most popular and practical numerical approaches for large-scale engineering analysis are the Volume-Of-Fluid (VOF) and Level Set (LS) approaches. In this work we will present a publically available verification and validation test set for air-water-structure interaction problems as well as computational and physical model results including a hybrid VOF-LS method, traditional VOF methods, and Smoothed Particle Hydrodynamics (SPH) results. The test set repository and test problem formats will also be presented in order to facilitate future comparative studies and reproduction of scientific results.

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

    Directory of Open Access Journals (Sweden)

    Hudson W. de Carvalho

    2013-06-01

    Full Text Available Objective: 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. Methods: 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. Results: Our results provide support for the hypothesis that the PANAS reliably measures two distinct dimensions of positive and negative affect. Conclusion: 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.

  5. Validity evidence based on internal structure of scores on the Spanish version of the Self-Description Questionnaire-II.

    Science.gov (United States)

    Ingles, Cándido J; Torregrosa, María S; Hidalgo, María D; Nuñez, Jose C; Castejón, Juan L; García-Fernández, Jose M; Valles, Antonio

    2012-03-01

    The aim of this study was to analyze the reliability and validity evidence of scores on the Spanish version of Self-Description Questionnaire II (SDQ-II). The instrument was administered in a sample of 2022 Spanish students (51.1% boys) from grades 7 to 10. Confirmatory factor analysis (CFA) was used to examine validity evidence based on internal structure drawn from the scores on the SDQ-II. CFA replicated the correlated II first-order factor structure. Furthermore, hierarchical confirmatory factor analysis (HCFA) was used to examine the hierarchical ordering of self-concept, as measured by scores on the Spanish version of the SDQ-II. Although a series of HCFA models were tested to assess academic and non-academic components organization, support for those hierarchical models was weaker than for the correlated 11 first-order factor structure. Results also indicated that scores on the Spanish version of the SDQ-II had internal consistency and test-retest reliability estimates within an acceptable range.

  6. Damage detection in composite structures using autonomous wireless systems: simulation and validation

    Energy Technology Data Exchange (ETDEWEB)

    Dumas, D; Lani, F [Cenaero, Centre de Recherche en Aeronautique, 29 Rue des freres Wright, B-6041 Gosselies (Belgium); Monnier, T [Universite de Lyon, INSA-Lyon, F-69621, Villeurbanne cedex (France); Smaili, R; Loyer, J, E-mail: david.dumas@cenaero.be [GOODRICH Actuation Systems, 106 Rue Fourny, F-78530, Buc (France)

    2011-07-19

    In the European FP6 project ADVICE, units that harvest energy from structural vibrations have been developed. These autonomous units are capable of wireless communication and are used as actuators of guided ultrasonic waves used to identify changes in structural behaviour. The growing use of composite structures in aeronautics brings new challenges to be able to predict and detect damage that may occur in these new materials. Part of the ADVICE project focused on studying the possibilities of damage detection in structures using Lamb waves. In order to do this, finite element simulations were performed and were compared with experimental data. This paper presents the finite element simulations performed to predict the behaviour of a structural health monitoring system. Using the technique and algorithms developed to quantify the amount of damage, we compare the numerical results to those that were obtained experimentally on a small representative composite structure. This allows evaluating how it is possible to design a monitoring system for composite structures and what needs to be addressed in the future.

  7. Design and validation of wireless acceleration sensor network for structural health monitoring

    Institute of Scientific and Technical Information of China (English)

    Yu Yan; Ou Jinping

    2006-01-01

    A wireless sensor network is proposed to monitor the acceleration of structures for the purpose of structural health monitoring of civil engineering structures. Using commercially available parts, several modules are constructed and integrated into complete wireless sensors and base stations. The communication protocol is designed and the fusion arithmetic of the temperature and acceleration is embedded in the wireless sensor node so that the measured acceleration values are more accurate. Measures are adopted to finish energy optimization, which is an important issue for a wireless sensor network. The test is performed on an offshore platform model, and the experimental results are given to show the feasibility of the designed wireless sensor network.

  8. Validation of Wing Deformation Simulations for the NASA CRM Model using Fluid-Structure Interaction Computations

    OpenAIRE

    Keye, Stefan; Rudnik, Ralf

    2015-01-01

    The virtual determination of static aeroelastic deformations of NASA’s Common Research Model at steady-state flow conditions is described. Aeroelastic equilibrium conditions are computed using a fluid-structure interaction simulation approach based on high-fidelity numerical fluid dynamics and structural analysis methods. The correlation of numerical and experimental results under varying aerodynamic loads and model deformations is investigated and the influence of aeroelastic deformations on wing...

  9. THE SPANISH VERSION OF THE CRIMINAL SENTIMENT SCALE MODIFIED (CSS-M: FACTOR STRUCTURE, RELIABILITY, AND VALIDITY

    Directory of Open Access Journals (Sweden)

    Víctor Company Martínez

    2015-07-01

    Full Text Available The purpose of this study was to translate and validate the Criminal Sentiment Scale Modified (CSS-M, which measures the criminal attitudes into Spanish. Despite the large body of research proving their importance as one of the best predictors of criminal conduct, only a few measures have been psychometrically developed and validated, and none of them are available in the Spanish language. A sample of 153 male inmates from Penitentiary Brians I of the Catalan Prison Service (Spain participated voluntarily in the study (73.9% of Spanish nationality, mean age = 37.3 completed the final version of the Spanish adaptation. An exploratory factor analysis (EFA and a confirmatory factor analysis (CFA were conducted with all the scales simultaneously, showing that the underlying structure of the CSS-M was best explained by a two-factor solution: Sentiments toward the establishment and Criminality self-benefits. Moreover, a set of analyses of variance (ANOVA was also performed, validating the scale well. According to the results of the study, it was concluded that the Spanish version of the CSS-M has satisfactory psychometric properties, enabling its potential usefulness within the legal field of Spanish-speaking countries as a key element in crime prevention.

  10. A Quantitative Structure Activity Relationship for acute oral toxicity of pesticides on rats: Validation, domain of application and prediction.

    Science.gov (United States)

    Hamadache, Mabrouk; Benkortbi, Othmane; Hanini, Salah; Amrane, Abdeltif; Khaouane, Latifa; Si Moussa, Cherif

    2016-02-13

    Quantitative Structure Activity Relationship (QSAR) models are expected to play an important role in the risk assessment of chemicals on humans and the environment. In this study, we developed a validated QSAR model to predict acute oral toxicity of 329 pesticides to rats because a few QSAR models have been devoted to predict the Lethal Dose 50 (LD50) of pesticides on rats. This QSAR model is based on 17 molecular descriptors, and is robust, externally predictive and characterized by a good applicability domain. The best results were obtained with a 17/9/1 Artificial Neural Network model trained with the Quasi Newton back propagation (BFGS) algorithm. The prediction accuracy for the external validation set was estimated by the Q(2)ext and the root mean square error (RMS) which are equal to 0.948 and 0.201, respectively. 98.6% of external validation set is correctly predicted and the present model proved to be superior to models previously published. Accordingly, the model developed in this study provides excellent predictions and can be used to predict the acute oral toxicity of pesticides, particularly for those that have not been tested as well as new pesticides.

  11. Validity and reliability of the Structured Clinical Interview for the Trauma and Loss Spectrum (SCI-TALS

    Directory of Open Access Journals (Sweden)

    Conversano Ciro

    2008-01-01

    Full Text Available Abstract Background DSM-IV identifies three stress response disorders (acute stress Disorder (ASD, post-traumatic stress Disorder (PTSD and adjustment disorders (AD that derive from specific life events. An additional condition of complicated grief (CG, well described in the literature, is triggered by bereavement. This paper reports on the reliability and validity of the Structured Clinical Interview for Trauma and Loss Spectrum (SCI-TALS developed to assess the spectrum of stress response. The instrument is based on a spectrum model that emphasizes soft signs, low-grade symptoms, subthreshold syndromes, as well as temperamental and personality traits comprising clinical and subsyndromal manifestations. Methods Study participants, enrolled at 6 Italian Departments of Psychiatry located at six sites, included consecutive patients with PTSD, 44 with CG and a comparative group of 48 unselected controls. Results We showed good reliability and validity of the SCI-TALS. Domain scores were significantly higher in participants with PTSD or CG compared to controls. There were high correlations between specific SCI-TALS domains and corresponding scores on established measures of similar constructs. Participants endorsing grief and loss events reported similar scores on all instruments, except those with CG who scored significantly higher on the domain of grief reactions. Conclusion These findings provide strong support for the internal consistency, the discriminant validity and the reliability of the SCI-TALS. These results also support the existence of a specific grief-related condition and the proposal that different forms of stress response have similar manifestations.

  12. A Quantitative Structure Activity Relationship for acute oral toxicity of pesticides on rats: Validation, domain of application and prediction.

    Science.gov (United States)

    Hamadache, Mabrouk; Benkortbi, Othmane; Hanini, Salah; Amrane, Abdeltif; Khaouane, Latifa; Si Moussa, Cherif

    2016-02-13

    Quantitative Structure Activity Relationship (QSAR) models are expected to play an important role in the risk assessment of chemicals on humans and the environment. In this study, we developed a validated QSAR model to predict acute oral toxicity of 329 pesticides to rats because a few QSAR models have been devoted to predict the Lethal Dose 50 (LD50) of pesticides on rats. This QSAR model is based on 17 molecular descriptors, and is robust, externally predictive and characterized by a good applicability domain. The best results were obtained with a 17/9/1 Artificial Neural Network model trained with the Quasi Newton back propagation (BFGS) algorithm. The prediction accuracy for the external validation set was estimated by the Q(2)ext and the root mean square error (RMS) which are equal to 0.948 and 0.201, respectively. 98.6% of external validation set is correctly predicted and the present model proved to be superior to models previously published. Accordingly, the model developed in this study provides excellent predictions and can be used to predict the acute oral toxicity of pesticides, particularly for those that have not been tested as well as new pesticides. PMID:26513561

  13. Structural validity of the tonic immobility scale in a population exposed to trauma: evidence from two large Brazilian samples.

    Directory of Open Access Journals (Sweden)

    Michael Reichenheim

    Full Text Available BACKGROUND: Tonic Immobility is a temporary state of motor inhibition in situations involving extreme fear. The first scale developed for its assessment was the 10-item Tonic Immobility Scale (TIS. However, there are still few studies on its structural (dimensional validity. The objective of this study was to reassess the factor structure of the TIS applied to representative samples exposed to general trauma of two Brazilian mega-cities. METHODS: The sample comprised 3,223 participants reporting at least one traumatic experience. In São Paulo (n = 2,148, a Confirmatory Factor Analysis (CFA first tested the originally proposed two-dimensional structure. This was followed by sequential Exploratory Structural Equation Models to identify the best fitting model, and subsequently tested in Rio de Janeiro (n = 1,075 via CFA. Alternative reduced versions were further explored using the aggregate sample. Model-based Item Response Theory (IRT location parameters were also investigated. RESULTS: An absence of factor-based convergent and discriminant validity rejected the original proposition. However, the one-dimensional structure still held several residual correlations. Further exploration indicated the sustainability of reduced versions with seven (alternative A and six (alternative B items. Both presented excellent fit and no relevant residual item correlation. According to the IRT location parameters, items in alternative B covered a wider range of the latent trait. The Loevinger's H scalability coefficients underscored this pattern. CONCLUSIONS: The original model did not hold. A one-factor solution was the most tenable in both large samples, but with significant item residual correlations, indicating that content redundancies persisted. Further reduced and simplified versions of the TIS proved promising. Although studies are yet to be carried out in other settings, it is the authors' impression that the restricted versions of the TIS are

  14. Stress and structural damage sensing piezospectroscopic coatings validated with digital image correlation

    Directory of Open Access Journals (Sweden)

    Gregory Freihofer

    2015-03-01

    Full Text Available The piezospectroscopic effect, relating a material’s stress state and spectral signature, has recently demonstrated tailorable sensitivity when the photo-luminescent alpha alumina is distributed in nanoparticulate form within a matrix. Here, the stress-sensing behavior of an alumina-epoxy nanoparticle coating, applied to a composite substrate in an open hole tension configuration, is validated with the biaxial strain field concurrently determined through digital image correlation. The coating achieved early detection of composite failure initiation at 77% failure load, and subsequently tracked stress distribution in the immediate vicinity of the crack as it progressed, demonstrating non-invasive stress and damage detection with multi-scale spatial resolution.

  15. Assessing Social Validity of School-Wide Positive Behavior Support Plans: Evidence for the Reliability and Structure of the Primary Intervention Rating Scale

    Science.gov (United States)

    Lane, Kathleen Lynne; Kalberg, Jemma Robertson; Bruhn, Allison Leigh; Driscoll, Steven A.; Wehby, Joseph H.; Elliott, Stephen N.

    2009-01-01

    This study provides initial evidence for the reliability and structural validity of scores from the Primary Intervention Rating Scale (Lane, Robertson, & Wehby, 2002), an adapted version of the Intervention Rating Profile-15 (Witt & Elliott, 1985) designed to assess faculty's perceptions of social validity of primary prevention plans prior to…

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

    Directory of Open Access Journals (Sweden)

    Anders S Christensen

    Full Text Available 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 QM results obtained for a small protein with an RMSD of 0.25 ppm (r = 0.94. ProCS is interfaced with the PHAISTOS protein simulation program and is used to infer statistical protein ensembles that reflect experimentally measured amide proton chemical shift values. Such chemical shift-based structural refinements, starting from high-resolution X-ray structures of Protein G, ubiquitin, and SMN Tudor Domain, result in average chemical shifts, hydrogen bond geometries, and trans-hydrogen bond ((h3J(NC' spin-spin coupling constants that are in excellent agreement with experiment. We show that the structural sensitivity of the QM-based amide proton chemical shift predictions is needed to obtain this agreement. The ProCS method thus offers a powerful new tool for refining the structures of hydrogen bonding networks to high accuracy with many potential applications such as protein flexibility in ligand binding.

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

    CERN Document Server

    Christensen, Anders S; Borg, Mikael; Boomsma, Wouter; Lindorff-Larsen, Kresten; Hamelryck, Thomas; Jensen, Jan H

    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 QM results obtained for a small protein with an RMSD of 0.25 ppm (r = 0.94). ProCS is interfaced with the PHAISTOS protein simulation program and is used to infer statistical protein ensembles that reflect experimentally measured amide proton chemical shift values. Such chemical shift-based structural refinements, starting from high-resolution X-ray structures of Protein G, ubiquitin, and SMN Tudor Domain, result in average chemical shifts, hydrogen bond geometries, and trans-hydrogen bond (h3JNC') spin-spin coupling constants that are in excellent agreement with experiment. We show that the structural sensitivity of the QM-based amide proton chemical shift predictions is needed to refine protein structures to this...

  18. 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.

  19. 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.

  20. 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.

  1. Code validation for the structural analysis of a subassembly response to pressure transients: Present status and trends

    International Nuclear Information System (INIS)

    Fast reactor safety studies were in a first step devoted to HCDA analysis and led to the evaluation of primary containment behaviour under severe transient dynamic loading. The J.R.C. Ispra has actively participated in a joint European Code Validation Programme and the COVA series of reduced-scale experiments were correspondingly designed in order to represent flow pattern, hydro-structural coupling and wave propagation conditions similar to fast-breeder whole core accident conditions. Now the safety considerations have moved towards the analysis of local events at subassembly level (COVAS). Here the importance of local structural behaviour becomes a key point as far as the development and possible propagation of the accident is concerned. (orig./GL)

  2. Bacterial Transcription Inhibitor of RNA Polymerase Holoenzyme Formation by Structure-Based Drug Design: From in Silico Screening to Validation.

    Science.gov (United States)

    Ma, Cong; Yang, Xiao; Lewis, Peter J

    2016-01-01

    Bacterial transcription is a proven target for antibacterial research. However, most of the known inhibitors targeting transcription are from natural extracts or are hits from screens where the binding site remains unidentified. Using an RNA polymerase holoenzyme homology structure from the model Gram-positive organism Bacillus subtilis, we created a pharmacophore model and used it for in silico screening of a publicly available library for compounds able to inhibit holoenzyme formation. The hits demonstrated specific affinity to bacterial RNA polymerase and excellent activity using in vitro assays and showed no binding to the equivalent structure from human RNA polymerase II. The target specificity in live cells and antibacterial activity was demonstrated in microscopy and growth inhibition experiments. This is the first example of targeted inhibitor development for a bacterial RNA polymerase, outlining a complete discovery process from virtual screening to biochemical validation. This approach could serve as an appropriate platform for the future identification of inhibitors of bacterial transcription. PMID:27622946

  3. Validation of in utero tractography of human fetal commissural and internal capsule fibers with histological structure tensor analysis

    Directory of Open Access Journals (Sweden)

    Christian eMitter

    2015-12-01

    Full Text Available Diffusion tensor imaging (DTI and tractography offer the unique possibility to visualize the developing white matter macroanatomy of the human fetal brain in vivo and in utero and are currently under investigation for their potential use in the diagnosis of developmental pathologies of the human central nervous system. However, in order to establish in utero DTI as a clinical imaging tool, an independent comparison between macroscopic imaging and microscopic histology data in the same subject is needed. The present study aimed to cross-validate normal as well as abnormal in utero tractography results of commissural and internal capsule fibers in human fetal brains using postmortem histological structure tensor (ST analysis. In utero tractography findings from two structurally unremarkable and five abnormal fetal brains were compared to the results of postmortem ST analysis applied to digitalized whole hemisphere sections of the same subjects. An approach to perform ST-based deterministic tractography in histological sections was implemented to overcome limitations in correlating in utero tractography to postmortem histology data. ST analysis and histology-based tractography of fetal brain sections enabled the direct assessment of the anisotropic organization and main fiber orientation of fetal telencephalic layers on a micro- and macroscopic scale, and validated in utero tractography results of corpus callosum and internal capsule fiber tracts. Cross-validation of abnormal in utero tractography results could be achieved in four subjects with agenesis of the corpus callosum and in two cases with malformations of internal capsule fibers. In addition, potential limitations of current DTI-based in utero tractography could be demonstrated in several brain regions. Combining the three-dimensional nature of DTI-based in utero tractography with the microscopic resolution provided by histological ST analysis may ultimately facilitate a more complete

  4. Structural relations between coping strategies and Burnout syndrome on health workers: A study of external and construct validity

    Directory of Open Access Journals (Sweden)

    Fernando Austria Corrales

    2012-03-01

    Full Text Available The aim of this study was to validate hypothesized structural and functional relationships between coping strategies and factors associated with burnout syndrome in independent samples of health workers from different hospitals and hospital care settings. We applied the Maslach Burnout Inventory and the scale of Coping with Extreme Risks adapted to the Mexican population, we analyzed the responses of 354 health workers in a tertiary hospital and 300 from a reference hospital. The samples were intentional, non-probability, quota. The group was formed by nurses, paramedics, diagnostics services, physicians and resident physicians. Results confirmed the factor structure of the instruments in the twosamples and showed that the use of active coping strategies (control, information seeking, social support, among others has protective effects on the factors associated withthe syndrome (emotional exhaustion, depersonalization and personal fulfillment at work, regardless of the sample, context and type of hospital care. We discuss the results andtheir implications in relation to external validity and findings in other related research.

  5. Assessment of the structural validity of the domestic violence healthcare providers’ survey questionnaire using a Nigerian sample

    Directory of Open Access Journals (Sweden)

    Stephen Lawoko

    2010-07-01

    Full Text Available BACKGROUND: There has been increased advocacy to involve healthcare providers in the prevention of intimate partner violence (IPV through screening for it in healthcare. Yet, only one in ten providers screen for IPV, suggesting barriers. Understanding the readiness of healthcare providers to screen for IPV is therefore paramount. The Domestic Violence Healthcare Provider Survey Scales (DVHPSS is a previously validated, comprehensive scale to study readiness of healthcare providers to screen for IPV. However, an understanding of its usefulness in the Sub-Saharan African context remains elusive. The current study undertook to examine the structural validity of the DVHPSS in Nigeria. METHODS: Exploratory factor analysis and Cronbach's Alpha were run to reveal the factorial structure and reliability of the instrument/subscales respectively. Established thresholds were used to determine significant factor loadings and alphas coefficient. RESULTS: A six factor model emerged, with 2 factors similar to the original scale, another two differing slightly and a further two factors resulting from a splitting up of the original combination of victim/provider safety to having distinct victim and provider safety subscales. CONCLUSIONS: With slight modifications, the DVHPSS can be use to study IPV screening among Nigerian healthcare professionals. Introducing screening protocols could promote better understanding of crucial questions that were lost in the analysis.

  6. Brazilian version of the Structured Interview for Disorders of Extreme Stress - Revised (SIDES-R: adaptation and validation process

    Directory of Open Access Journals (Sweden)

    Jessica Camargo

    2013-12-01

    Full Text Available BACKGROUND: Posttraumatic stress disorder (PTSD contemplates the impact of acute traumatic events, but the literature indicates that this is not true for chronic exposure to stress. In this sense, the category disorders of extreme stress not otherwise specified (DESNOS has been proposed to characterize the behavior and cognitive alterations derived from exposure to continuous early life stress. The Structured Interview for Disorders of Extreme Stress - Revised (SIDES-R was developed to investigate and measure DESNOS. Considering the lack of instruments designed to assess DESNOS, especially in Brazil, the aim of this study was to translate, adapt, and validate the contents of SIDES-R to Brazilian Portuguese (SIDES-R-BR. METHOD: The original interview was subjected to translation, back-translation, semantic equivalence and conceptual correspondence analyses by naive and specialized judges, respectively, an acceptability trial, and inter-rater validity analysis. RESULTS: The interview underwent semantic and structural adaptations considering the Brazilian culture. The final version, SIDES-R-BR, showed a mean understanding score of 4.98 on a 5-point verbal rating scale, in addition to a kappa coefficient of 0.853. CONCLUSION: SIDES-R-BR may be a useful tool in the investigation of DESNOS and contributes a valuable input to clinical research in Brazil. The availability of the instrument allows to test symptoms with adequate reliability, as verified by the kappa coefficient and translation steps.

  7. 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

  8. 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…

  9. The PANAS Structure Revisited: On the Validity of a Bifactor Model in Community and Forensic Samples

    Science.gov (United States)

    Leue, Anja; Beauducel, Andre

    2011-01-01

    The Positive and Negative Affect Schedule (PANAS) is a widely used inventory for the assessment of affect in psychology and other applied sciences. Despite its popularity, the structure of the PANAS is still under debate. On the one hand, there is evidence of the traditional 2-factor model with Positive Affect (PA) and Negative Affect (NA) as…

  10. A structured registration program can be validly used for quality assessment in general practice

    NARCIS (Netherlands)

    Fokkens, A.S.; Wiegersma, P.A.; Reijneveld, S.A.

    2009-01-01

    Background: Patient information, medical history, clinical outcomes and demographic information, can be registered in different ways in registration programs. For evaluation of diabetes care, data can easily be extracted from a structured registration program (SRP). The usability of data from this s

  11. Assessing the diagnostic validity of a structured psychiatric interview in a first-admission hospital sample

    DEFF Research Database (Denmark)

    Frederiksen, Julie Elisabeth Nordgaard; Revsbech, Rasmus; Sæbye, Ditte;

    2012-01-01

    , first-admitted inpatients, the results of an assessment with the Structured Clinical Interview for DSM-IV (SCID), yielding a DSM-IV diagnosis and performed by a trained non-clinician, were compared with a consensus lifetime best diagnostic estimate (DSM-IV) by two experienced research clinicians, based...

  12. 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...

  13. 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.

  14. 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.

  15. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Rekha R.; Celina, Mathias C.; Giron, Nicholas Henry; Long, Kevin Nicholas; Russick, Edward M.

    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 o 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.

  17. Analysis And Experimental Validation Of Structure-Borne Noise From Acoustic Enclosure Of Compressor

    OpenAIRE

    Deshmukh, Satish Konderao; Madhekar, Onkar Sunil

    2014-01-01

    Reduction of noise in a compressor is a complex criterion as many factors of machine enclosure contribute its effect on noise. When a panel of enclosure is acoustically excited, its vibrational response comprises both forced vibrational response at the excitation frequencies, and resonant response of all the relevant structural natural frequencies. These are excited due to the interactions of the forced bending waves with the panel boundaries. The non-resonant, forced modes tend to transmit m...

  18. Traffic weigh-in-motion (WIM measurements and validation of the Texas perpetual pavement structural design concept

    Directory of Open Access Journals (Sweden)

    Lubinda F. Walubita

    2011-01-01

    Full Text Available Over the past few years, the State of Texas has used perpetual pavement (PP structures on its heavily trafficked highways, where the expected 20-year truck-traffic estimate of 80 kN ESALs (equivalent single axle loads is in excess of 30 million. As a means to validate the Texas PP structural design concept and to make optimal future truck-traffic design recommendations, traffic Weigh In-Motion (WIM measurements were conducted and analyzed for two PP projects. The findings indicated that the initial 80 kN ESAL traffic design estimates for PP were comparable to the projections based on the actual measured WIM traffic data. However, underestimation of the hot mix asphalt layer dynamic moduli resulted in conservative designs for the PP structures. In addition, based on the successful use of the automated WIM data stations for traffic data collection, the paper highlights possible applications and advantages (as compared to conventional manual collection of traffic data of using detailed WIM traffic data information for future analyses of both highway operation and pavement structural design.

  19. Joint Test Report for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel

    Science.gov (United States)

    Lewis, Pattie

    2007-01-01

    Headquarters National Aeronautics and Space Administration (NASA) chartered the NASA Acquisition Pollution Prevention (AP2) Office to coordinate agency activities affecting pollution prevention issues identified during system and component acquisition and sustainment processes. The primary objectives of the AP2 Office are to: (1) Reduce or eliminate the use of hazardous materials or hazardous processes at manufacturing, remanufacturing, and sustainment locations. (2) Avoid duplication of effort in actions required to reduce or eliminate hazardous materials through joint center cooperation and technology sharing. The objective of this project was to qualify candidate alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel applications at NASA facilities. This project compares the surface preparation/depainting performance of the proposed alternatives to existing surface preparation/depainting systems or standards. This Joint Test Report (JTR) contains the results of testing as per the outlines of the Joint Test Protocol (JTP), Joint Test Protocol for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel, and the Field Test Plan (FTP), Field Evaluations Test Plan for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel, for critical requirements and tests necessary to qualify alternatives for coating removal systems. These tests were derived from engineering, performance, and operational impact (supportability) requirements defined by a consensus of government and industry participants. This JTR documents the results of the testing as well as any test modifications made during the execution of the project. This JTR is made available as a reference for future pollution prevention endeavors by other NASA Centers, the Department of Defense and commercial users to minimize duplication of effort. The current coating removal processes

  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

    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...... using the commercial finite element package MSC.Patran with MSC.MARC as solver. The solid parts of the antenna are meshed with 10-noded tetrahedral elements, which have quadratic shape functions and the entire model has approximately 325.000 elements. The individual solid part of the antenna...

  1. 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. PMID:19485672

  2. 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.

  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...... in three dimensions (3D) and used as building blocks assembled manually during a bioinformatic interactive process. Comparing the models to the corresponding crystal structures has validated the method as being powerful to predict the RNA topology and architecture while being less accurate regarding...

  4. Validity of young children's self-reports of their emotion in response to structured laboratory tasks.

    Science.gov (United States)

    Durbin, C Emily

    2010-08-01

    Can young children report coherently on their emotions, and how do their reports contribute to our understanding of emotional development? Two-hundred six children ages 3 to 6 years participated in structured laboratory tasks designed to elicit a range of positive and negative emotions and indicated their emotional state following each task. Children's reports of their emotions meaningfully varied along with the nature of the different tasks during which they were collected (i.e., reports of negative and positive emotions differed across tasks designed to elicit those states). There were no sex differences on reports of any emotion and only small age differences. Multilevel modeling analyses demonstrated that children's self-reports of each emotion converged significantly with objective coding of expressions of those emotions across laboratory tasks; higher convergence for some emotions was associated with older age, higher verbal intelligence, and greater emotion-recognition abilities.

  5. Boundary layer structure and stability classification validated with CO2 concentrations over the Northern Spanish Plateau

    Directory of Open Access Journals (Sweden)

    B. de Torre

    2009-01-01

    Full Text Available A description of the lower boundary layer is vital to enhance our understanding of dispersion processes. In this paper, Radio Acoustic Sounding System sodar measurements obtained over three years were used to calculate the Brunt-Väisälä frequency and the Monin-Obukhov length. The Brunt-Väisälä frequency enabled investigation of the structure of this layer. At night, several layers were noticeable and the maximum was observed at the first level, 40 m, whereas during the day, it was present at about 320 m. The Monin-Obukhov length was calculated with the four first levels measured, 40–100 m, by an original iterative method and used to establish four stability classes: drainage, extremely stable, stable and unstable. Wind speed and temperature median profiles linked to these classes were also presented. Wind speeds were the lowest, but temperatures were the highest and inversions were intense at night in drainage situations. However, unstable situations were linked to high wind speeds and superadiabatic temperature profiles. Detrended CO2 concentrations were used to determine the goodness of the classification proposed evidencing values which under drainage at night in spring were nearly 28 ppm higher than those corresponding to unstable situations. Finally, atmosphere structure was presented for the proposed stability classes and related with wind speed profiles. Under extremely stable situations, low level jets were coupled to the surface, with median wind speeds below 8 m s−1 and cores occasionally at 120 m. However, jets were uncoupled in stable situations, wind speed medians were higher than 11 m s−1 and their core heights were around 200 m.

  6. Original article Reliability, factor structure, and construct validity of the Polish version of the sport imagery ability measure

    Directory of Open Access Journals (Sweden)

    Dagmara Budnik-Przybylska

    2014-12-01

    Full Text Available Background An important component of mental training in sport is the utilization of positive imagery. The “human brain cannot distinguish between an imagined experience and a real experience. The same areas of the brain light up in an imagined experience or imagined performance as in a real experience or performance. For that reason, positive performance imagery has enormous potential” (Orlick, 2008, p. 101. Imagery “has been described as a centre pillar of applied sport psychology” research (Morris, Spittle, & Perry, 2004, p. 344. The aim of the present study was to examine reliability and validity characteristics of the Polish language version of the Sport Imagery Ability Measure (SIAM. Participants and procedure Polish athletes (N = 316 from a range of sports and competitive levels completed the 48 item SIAM. The participants (163 male, 153 female were aged between 12 and 57 years (M = 22.15, SD = 8.25. Results Results indicated that the SIAM had sound internal consistency and maintained good stability over a 3-week period. Confirmatory factor analysis demonstrated that the a priori 3-factor structure of the SIAM resulted in a set of acceptable and poor fit indices (CFI = .91, NFI = .90, RMSEA = .12. Finally, differences in athletes’ imagery abilities were examined in relation to competitive level, gender, and age. Conclusions Overall, results generally supported the reliability and construct validity of the Polish version of the SIAM.

  7. Constitutive Theories for Woven Composite Structures Subjected to Shock Loading; Experimental Validation Using a Conical Shock Tube

    Directory of Open Access Journals (Sweden)

    David R. Hufner

    2012-01-01

    Full Text Available Woven polymer-based composites are currently used in a wide range of marine applications. These materials often exhibit highly nonlinear, rate dependent, anisotropic behavior under shock loadings. Correlation to transient response data, beyond an initial peak, is often difficult. The state of damage evolves throughout the time history and the unloading response varies based on the amount, and nature of, the accumulated damage. Constitutive theories that address the loading and unloading responses have been developed and integrated with each other. A complete theory, applicable to transient dynamic analysis, is presented. The model is implemented within the commercial finite element code, Abaqus, in the form of a user material subroutine. In this study, the conical shock tube is used to experimentally reproduce the high strain rates and fluid structure interactions typical of underwater shock loadings. The conical shock tube data is used to validate analytical model predictions. Simulation results are in good agreement with test data.

  8. 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

    variations of the structure on the resulting horizontal forces. Steady current conditions, dynamic loading due to waves, and combined wave–current scenarios are considered. A clear focus is put on simplicity and reproducibility, allowing for efficient testing of related methods and codes. This is achieved...... by defining a simple test geometry, altered in one design variable only, and by designing the test case such that a two dimensional analysis of the flow fields is possible. The force sensitivities to changes in the geometry are determined both numerically and experimentally for a great bandwidth of different...... is to provide clear and thorough information for validation and verification of methods and codes used to analyze fluid related shape optimization problems....

  9. 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.

  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. PMID:26911263

  11. Lotung large-scale seismic experiment and soil-structure interaction method validation

    International Nuclear Information System (INIS)

    This paper describes the EPRI current on-site large-scale soil-structure interaction (SSI) research. The objectives of the research are: (1) to obtain an earthquake database which can be used to substantiate SSI models and analysis methods; (2) to develop realistic SSI analysis guidelines and procedures based on experimental-analytical correlation; and (3) to quantify nuclear power plant reactor containment and internal component's seismic margin based on earthquake experience data. The analysis phase of the research was conducted with the cooperation of the U.S. NRC and Taipower. A round-robin approach was utilized with emphasis on blind predictions and independent assessment of existing methodologies. A total of 13 research teams from the United States, the Republic of China, Japan, and Switzerland participated in the effort. A workshop was held in December 1987 where research results and findings were presented. Further effort is ongoing to synthesize the results and findings for providing technical bases of developing improved SSI analyses guidelines and procedures. (orig./HP)

  12. Genetic and structural validation of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase as an antifungal target.

    Science.gov (United States)

    Fang, Wenxia; Du, Ting; Raimi, Olawale G; Hurtado-Guerrero, Ramon; Urbaniak, Michael D; Ibrahim, Adel F M; Ferguson, Michael A J; Jin, Cheng; van Aalten, Daan M F

    2013-08-01

    The sugar nucleotide UDP-N-acetylglucosamine (UDP-GlcNAc) is an essential metabolite in both prokaryotes and eukaryotes. In fungi, it is the precursor for the synthesis of chitin, an essential component of the fungal cell wall. UDP-N-acetylglucosamine pyrophosphorylase (UAP) is the final enzyme in eukaryotic UDP-GlcNAc biosynthesis, converting UTP and N-acetylglucosamine-1-phosphate (GlcNAc-1P) to UDP-GlcNAc. As such, this enzyme may provide an attractive target against pathogenic fungi. Here, we demonstrate that the fungal pathogen Aspergillus fumigatus possesses an active UAP (AfUAP1) that shows selectivity for GlcNAc-1P as the phosphosugar substrate. A conditional mutant, constructed by replacing the native promoter of the A. fumigatus uap1 gene with the Aspergillus nidulans alcA promoter, revealed that uap1 is essential for cell survival and important for cell wall synthesis and morphogenesis. The crystal structure of AfUAP1 was determined and revealed exploitable differences in the active site compared with the human enzyme. Thus AfUAP1 could represent a novel antifungal target and this work will assist the future discovery of small molecule inhibitors against this enzyme.

  13. Structure-based virtual screening and experimental validation of the discovery of inhibitors targeted towards the human coronavirus nucleocapsid protein.

    Science.gov (United States)

    Chang, Chung-ke; Jeyachandran, Sivakamavalli; Hu, Nien-Jen; Liu, Chia-Ling; Lin, Shing-Yen; Wang, Yong-Sheng; Chang, Yu-Ming; Hou, Ming-Hon

    2016-01-01

    Nucleocapsid protein (NP), an essential RNA-binding viral protein in human coronavirus (CoV)-infected cells, is required for the replication and transcription of viral RNA. Recent studies suggested that human CoV NP is a valid target for antiviral drug development. Based on this aspect, structure-based virtual screening targeting nucleocapsid protein (NP) was performed to identify good chemical starting points for medicinal chemistry. The present study utilized structure-based virtual screening against human CoV-OC43 using the Zinc database, which is performed through docking with varying precisions and computational intensities to identify eight potential compounds. The chosen potential leads were further validated experimentally using biophysical means. Surface plasmon resonance (SPR) analysis indicated that one among the potential leads, 6-chloro-7-(2-morpholin-4-yl-ethylamino) quinoxaline-5,8-dione (small-compound H3), exhibited a significant decrease of RNA-binding capacity of NP by more than 20%. The loss of binding activity was manifested as a 20% decrease in the minimum on-rate accompanied with a 70% increase in the maximum off-rate. Fluorescence titration and X-ray crystallography studies indicated that H3 antagonizes the binding between HCoV-OC43 NP and RNA by interacting with the N-terminal domain of the NP. Our findings provide insight into the development of new therapeutics that disrupt the interaction between RNA and viral NP in the HCoV. The discovery of the new compound would be an impetus to design novel NP inhibitors against human CoV.

  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. Simulation of planar soft tissues using a structural constitutive model: Finite element implementation and validation.

    Science.gov (United States)

    Fan, Rong; Sacks, Michael S

    2014-06-27

    Computational implementation of physical and physiologically realistic constitutive models is critical for numerical simulation of soft biological tissues in a variety of biomedical applications. It is well established that the highly nonlinear and anisotropic mechanical behaviors of soft tissues are an emergent behavior of the underlying tissue microstructure. In the present study, we have implemented a structural constitutive model into a finite element framework specialized for membrane tissues. We noted that starting with a single element subjected to uniaxial tension, the non-fibrous tissue matrix must be present to prevent unrealistic tissue deformations. Flexural simulations were used to set the non-fibrous matrix modulus because fibers have little effects on tissue deformation under three-point bending. Multiple deformation modes were simulated, including strip biaxial, planar biaxial with two attachment methods, and membrane inflation. Detailed comparisons with experimental data were undertaken to insure faithful simulations of both the macro-level stress-strain insights into adaptations of the fiber architecture under stress, such as fiber reorientation and fiber recruitment. Results indicated a high degree of fidelity and demonstrated interesting microstructural adaptions to stress and the important role of the underlying tissue matrix. Moreover, we apparently resolve a discrepancy in our 1997 study (Billiar and Sacks, 1997. J. Biomech. 30 (7), 753-756) where we observed that under strip biaxial stretch the simulated fiber splay responses were not in good agreement with the experimental results, suggesting non-affine deformations may have occurred. However, by correctly accounting for the isotropic phase of the measured fiber splay, good agreement was obtained. While not the final word, these simulations suggest that affine fiber kinematics for planar collagenous tissues is a reasonable assumption at the macro level. Simulation tools such as these are

  16. Validity of semi-quantitative scale for brain MRI in unilateral cerebral palsy due to periventricular white matter lesions: Relationship with hand sensorimotor function and structural connectivity

    Directory of Open Access Journals (Sweden)

    Simona Fiori

    2015-01-01

    Conclusion: The sqMRI scale demonstrates first evidence of construct validity against impaired motor and sensory function measures and brain structural connectivity in a cohort of children with UCP due to PWM lesions. More severe lesions correlated with poorer paretic hand sensorimotor function and impaired structural connectivity in the hemisphere contralateral to the clinical side of hemiplegia. The quantitative structural MRI scoring may be a useful clinical tool for studying brain structure–function relationships but requires further validation in other populations of CP.

  17. An Examination of the Structural, Discriminant, Nomological, and Incremental Predictive Validity of the MSCEIT[copyright sign] V2.0

    Science.gov (United States)

    Rode, Joseph C.; Mooney, Christine H.; Arthaud-Day, Marne L.; Near, Janet P.; Rubin, Robert S.; Baldwin, Timothy T.; Bommer, William H.

    2008-01-01

    We examined the structural, discriminant, nomological, and incremental predictive validity of a behavioral measure of emotional intelligence, using data from two undergraduate student samples. Covariance structure modeling indicated that the eight subscales of the MSCEIT(C) V2.0 were best modeled with a solution consisting of three first-order…

  18. Factor structure, reliability, and known groups validity of the german version of the childhood trauma questionnaire (short-form) in swiss patients and nonpatients

    OpenAIRE

    Karos, Kai; Niederstrasser, Nils Georg; Abidi, Latifa; Bernstein, David P; Bader, Klaus

    2014-01-01

    The Childhood Trauma Questionnaire-Short Form is the most widely used instrument to assess childhood trauma and has been translated into 10 languages. However, research into validity and reliability of these translated versions is scarce. The present study aimed to investigate the factor structure, internal consistency, reliability, and known-groups validity of the German Childhood Trauma Questionnaire-Short Form (Bernstein & Fink, 1998). Six-hundred and sixty-one clinical and nonclinical par...

  19. A French Translation of the Childhood Anxiety Sensitivity Index (CASI): Factor Structure, Reliability and Validity of This Scale in a Nonclinical Sample of Children

    OpenAIRE

    Stassart, C; Etienne, A M

    2014-01-01

    Introduction: Anxiety sensitivity (AS) refers to the fear of anxiety-related sensations due to beliefs that these sensations will lead to catastrophic outcomes. AS plays a central role in the etiology and maintenance of anxiety disorders. From a clinical perspective, it therefore seems important to possess a valid scale to assess AS in children. Objective, Method: This study examines the factor structure, reliability, and validity of the French translation of the Childhood Anxiety Sensitivity...

  20. A two-dimensional effective model describing fluid structure interaction in blood flow: analysis, simulation and experimental validation

    Science.gov (United States)

    Čanić, Sunčica; Mikelić, Andro; Tambača, Josip

    2005-12-01

    We derive a closed system of effective equations describing a time-dependent flow of a viscous incompressible Newtonian fluid through a long and narrow elastic tube. The 3D axially symmetric incompressible Navier-Stokes equations are used to model the flow. Two models are used to describe the tube wall: the linear membrane shell model and the linearly elastic membrane and the curved, linearly elastic Koiter shell model. We study the behavior of the coupled fluid-structure interaction problem in the limit when the ratio between the radius and the length of the tube, ɛ, tends to zero. We obtain the reduced equations that are of Biot type with memory. An interesting feature of the reduced equations is that the memory term explicitly captures the viscoelastic nature of the coupled problem. Our model provides significant improvement over the standard 1D approximations of the fluid-structure interaction problem, all of which assume an ad hoc closure assumption for the velocity profile. We performed experimental validation of the reduced model using a mock circulatory flow loop assembled at the Cardiovascular Research Laboratory at the Texas Heart Institute. Experimental results show excellent agreement with the numerically calculated solution. Major applications include blood flow through large human arteries. To cite this article: S. Čanić et al., C. R. Mecanique 333 (2005).

  1. Validation of soil-structure interaction models using in-plant test data from Japan: Final report

    International Nuclear Information System (INIS)

    Data from the in-plant forced-vibration test conducted on the reactor building of the Tokai-2 (1100 MW, BWR) nuclear power plant in Japan were used for correlation with the results simulation analyses to evaluate the validity of the lumped parameter soil-structure interaction (SSI) models commonly adopted in the US nuclear industry for seismic analyses. The lumped parameter SSI models evaluated consist of lumped mass stick models for the reactor building structure and lumped parameter foundation models represented by either frequency dependent or frequency independent foundation impedances including the effect of embedment. Seismic response analyses were also performed for the Tokai-2 reactor building to evaluate the conservatism of the Japanese seismic design practice for nuclear power plants. The results of seismic analyses using the SSI models correlated with the forced-vibration test results showed that the design basis seismic response based on the Japanese design practice adopted at the time the Tokai-2 plant was designed (assuming a very low radiation damping of 5%) is extremely conservative, since the actual foundation radiation damping based on the forced-vibration test results is in the neighborhood of 15%

  2. 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.

  3. Development and experimental validation of a numerical tool for structural health and usage monitoring systems based on chirped grating sensors.

    Science.gov (United States)

    Bettini, Paolo; Guerreschi, Erika; Sala, Giuseppe

    2015-01-01

    The interest of the aerospace industries in structural health and usage monitoring systems is continuously increasing. Among the techniques available in literature those based on Fibre Bragg Grating sensors are much promising thanks to their peculiarities. Different Chirped Bragg Grating sensor configurations have been investigated in this paper. Starting from a numerical model capable of simulating the spectral response of a grating subjected to a generic strain profile (direct problem), a new code has been developed, allowing strain reconstruction from the experimental validation of the program, carried out through different loading cases applied on a chirped grating. The wavelength of the reflection spectrum for a chirped FBG has a one-to-one correspondence to the position along the gauge section, thus allowing strain reconstruction over the entire sensor length. Tests conducted on chirped FBGs also evidenced their potential for SHM applications, if coupled with appropriate numerical strain reconstructions tools. Finally, a new class of sensors-Draw Tower Grating arrays-has been studied. These sensors are applicable to distributed sensing and load reconstruction over large structures, thanks to their greater length. Three configurations have been evaluated, having different spatial and spectral characteristics, in order to explore possible applications of such sensors to SHM systems.

  4. Validation and Benchmarking of a Practical Free Magnetic Energy and Relative Magnetic Helicity Budget Calculation in Solar Magnetic Structures

    CERN Document Server

    Moraitis, K; Georgoulis, M K; Archontis, V

    2014-01-01

    In earlier works we introduced and tested a nonlinear force-free (NLFF) method designed to self-consistently calculate the free magnetic energy and the relative magnetic helicity budgets of the corona of observed solar magnetic structures. The method requires, in principle, only a single, photospheric or low-chromospheric, vector magnetogram of a quiet-Sun patch or an active region and performs calculations in the absence of three-dimensional magnetic and velocity-field information. In this work we strictly validate this method using three-dimensional coronal magnetic fields. Benchmarking employs both synthetic, three-dimensional magnetohydrodynamic simulations and nonlinear force-free field extrapolations of the active-region solar corona. We find that our time-efficient NLFF method provides budgets that differ from those of more demanding semi-analytical methods by a factor of ~3, at most. This difference is expected from the physical concept and the construction of the method. Temporal correlations show mo...

  5. Weight pressures in sport: examining the factor structure and incremental validity of the weight pressures in sport - females.

    Science.gov (United States)

    Reel, Justine J; Petrie, Trent A; SooHoo, Sonya; Anderson, Carlin M

    2013-04-01

    Due to pressures within the sport environment, such as from coaches, teammates, uniforms and judges, female athletes may develop unhealthy eating practices to lose weight or change their body size/shape to become more competitive and meet societal and sport-related physique ideals. However, up until the development of the Weight Pressures in Sport for Females (WPS-F; Reel, SooHoo, Petrie, Greenleaf, & Carter, 2010) there was no way to quantify sport-specific weight pressures with female athletes. In this study, the psychometric properties of the scale were further examined using a sample of 414 female collegiate athletes. Sample 1 [n=207; M=19.27 years; SD=1.16] and Sample 2 [n=207; M=19.19 years; SD=1.66] participants were of a similar age and were used for exploratory and confirmatory analyses respectively. A two factor structure was confirmed and it was established that the scale was unique from general sociocultural pressures that all women experience, predicting female athletes' internalization, body dissatisfaction, dietary intent, and bulimic symptomatology. Specifically, the following factors, Coach and Sport Pressures about Weight (Factor 1) and Pressures Regarding Appearance and Performance (Factor 2), were found to have strong internal consistency and the emerging reliable and valid WPS-F has practical implications for screening and identifying weight-related sport pressures within female athletes. WPS-F can also serve to educate sport professionals about environmental pressures so that disordered eating and body image disturbances can be prevented.

  6. Optical techniques as validation tools for finite element modeling of biomechanical structures, demonstrated in bird ear research

    Science.gov (United States)

    Muyshondt, Pieter; De Greef, Daniël; Soons, Joris; Dirckx, Joris J. J.

    2014-05-01

    In this paper we demonstrate the potential of stroboscopic digital holography and laser vibrometry as tools to gather vibration data and validate modelling results in complex biomechanical systems, in this case the avian middle ear. Whereas the middle ear of all mammal species contains three ossicles, birds only feature one ossicle, the columella. Despite this far simpler design, the hearing range of most birds is comparable to mammals, and is adapted to operate under very diverse atmospheric circumstances. This makes the investigation of the avian middle ear potentially very meaningful, since it could provide knowledge that can improve the design of prosthetic ossicle replacements in humans such as a TORP (Total Ossicle Replacement Prosthesis). In order to better understand the mechanics of the bird's hearing, we developed a finite element model that simulates the transmission of an incident acoustic wave on the eardrum via the middle ear structures to the fluid of the inner ear. The model is based on geometry extracted from stained μCT data and is validated using results from stroboscopic digital holography measurements on the eardrum and LDV measurements on the columella footplate. This technique uses very short high-power laser pulses that are synchronized to the membrane's vibration phase to measure the dynamic response of the bird's eardrum to an incident acoustic stimulus. Vibration magnitude as well as phase relative to the sound wave can be deduced from the results, the latter being of great importance in the elastic characterization of the tympanic membrane. In this work, the setup and results from the optical measurements, as well as the properties and optimization of the finite element model are presented. Observed phase variations across the eardrum's surface on the holography results strongly suggest the presence of internal energy losses in the membrane due to damping. Therefore, a viscoelastic characterisation of the model based on a complex

  7. 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…

  8. 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)

  9. A Reassessment of the Self-Perception Profile for Children: Factor Structure, Reliability, and Convergent Validity of a French Version among Second through Sixth Grade Children.

    Science.gov (United States)

    Boivin, Michel; And Others

    1992-01-01

    Evaluated the factor structure, reliability, and validity of a French version of the Self-Perception Profile for Children. The profile was administered to elementary school students in Quebec, and results were correlated with teacher and peer assessments. Results supported a five-factor solution and indicated that each factor was reliably…

  10. A Test and Cross-Validation of the Revised Two-Factor Study Process Questionnaire Factor Structure among Western University Students

    Science.gov (United States)

    Immekus, Jason C.; Imbrie, P. K.

    2010-01-01

    The Revised Two-Factor Study Process Questionnaire (R-SPQ-2F) is a measure of university students' approach to learning. Original evaluation of the scale's psychometric properties was based on a sample of Hong Kong university students' scores. The purpose of this study was to test and cross-validate the R-SPQ-2F factor structure, based on separate…

  11. 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

  12. 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.

  13. 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%.

  14. Application of 3D digital image correlation for development and validation of FEM model of self-supporting metal plates structures

    Science.gov (United States)

    Malowany, Krzysztof; Malesa, Marcin; Piekarczuk, Artur; Kujawińska, Małgorzata; Skrzypczak, Paweł; Wiech, Przemysław

    2016-04-01

    Many building structures due to complex geometry and nonlinear material properties are difficult to be analyzed with FEM methods. A good example is a self-supporting metal plates structure. Considering uncommon geometry and material characteristic of a metal plate (due to plastic deformations, cross section of a trough, a goffer pattern), the local loss of stability can occur in unexpected regions. Therefore, the hybrid experimental-numerical methodology of analysis and optimization of metal plates structures has been developed. The methodology is based on three steps of development and validation of a numerical model with utilization of Digital Image Correlation measurements. In each step, the measurements are performed in different environments, with different accuracies and different scales. In this paper, the results of analysis performed with Digital Image Correlation, that enabled development and validation of FEM model are presented. The performed modification of a measurement setup is also described.

  15. Organizational Leadership Assessment in Servant Organizations: Adaptation for Turkish Culture, Language Validity and Examination of Factor Structure

    OpenAIRE

    KAHVECİ, Hakkı; Ahmet AYPAY

    2012-01-01

    The purpose of this study is to adapt Laub’s (1999) Organizational Leadership Assessment in Servant Organizations to Turkish literaturate on servant leadership. Validity and reliability analyzes were conducted. The original instrument included 60 questions and six dimensions. Data was collected from primaryschool teachers in Eskişehir and Balıkesir. Descriptive statistics and exploratory factor analyis were used to analyze the data. Resulst indicated that, a valid and relaible instrument incl...

  16. 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

  17. Reliability and validity of a semi-structured DSM-based diagnostic interview module for the assessment of Attention Deficit Hyperactivity Disorder in adult psychiatric outpatients.

    Science.gov (United States)

    Gorlin, Eugenia I; Dalrymple, Kristy; Chelminski, Iwona; Zimmerman, Mark

    2016-08-30

    Despite growing recognition that the symptoms and functional impairments of Attention Deficit/Hyperactivity Disorder (ADHD) persist into adulthood, only a few psychometrically sound diagnostic measures have been developed for the assessment of ADHD in adults, and none have been validated for use in a broad treatment-seeking psychiatric sample. The current study presents the reliability and validity of a semi-structured DSM-based diagnostic interview module for ADHD, which was administered to 1194 adults presenting to an outpatient psychiatric practice. The module showed excellent internal consistency and interrater reliability, good convergent and discriminant validity (as indexed by relatively high correlations with self-report measures of ADHD and ADHD-related constructs and little or no correlation with other, non-ADHD symptom domains), and good construct validity (as indexed by significantly higher rates of psychosocial impairment and self-reported family history of ADHD in individuals who meet criteria for an ADHD diagnosis). This instrument is thus a reliable and valid diagnostic tool for the detection of ADHD in adults presenting for psychiatric evaluation and treatment.

  18. Reliability and validity of a semi-structured DSM-based diagnostic interview module for the assessment of Attention Deficit Hyperactivity Disorder in adult psychiatric outpatients.

    Science.gov (United States)

    Gorlin, Eugenia I; Dalrymple, Kristy; Chelminski, Iwona; Zimmerman, Mark

    2016-08-30

    Despite growing recognition that the symptoms and functional impairments of Attention Deficit/Hyperactivity Disorder (ADHD) persist into adulthood, only a few psychometrically sound diagnostic measures have been developed for the assessment of ADHD in adults, and none have been validated for use in a broad treatment-seeking psychiatric sample. The current study presents the reliability and validity of a semi-structured DSM-based diagnostic interview module for ADHD, which was administered to 1194 adults presenting to an outpatient psychiatric practice. The module showed excellent internal consistency and interrater reliability, good convergent and discriminant validity (as indexed by relatively high correlations with self-report measures of ADHD and ADHD-related constructs and little or no correlation with other, non-ADHD symptom domains), and good construct validity (as indexed by significantly higher rates of psychosocial impairment and self-reported family history of ADHD in individuals who meet criteria for an ADHD diagnosis). This instrument is thus a reliable and valid diagnostic tool for the detection of ADHD in adults presenting for psychiatric evaluation and treatment. PMID:27259136

  19. Organizational Leadership Assessment in Servant Organizations: Adaptation for Turkish Culture, Language Validity and Examination of Factor Structure

    Directory of Open Access Journals (Sweden)

    Hakkı KAHVECİ

    2012-06-01

    Full Text Available The purpose of this study is to adapt Laub’s (1999 Organizational Leadership Assessment in Servant Organizations to Turkish literaturate on servant leadership. Validity and reliability analyzes were conducted. The original instrument included 60 questions and six dimensions. Data was collected from primaryschool teachers in Eskişehir and Balıkesir. Descriptive statistics and exploratory factor analyis were used to analyze the data. Resulst indicated that, a valid and relaible instrument included 54 questions with two dimensions.

  20. 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.

  1. 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

    OpenAIRE

    Martine Bouvard; Jean-Luc Roulin; Anne Denis

    2013-01-01

    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 Schedu...

  2. Reliability and validity of ADHD diagnostic criteria in the Assessment System for Individuals with ADHD (ASIA): a Japanese semi-structured diagnostic interview

    OpenAIRE

    Takeda, Toshinobu; Tsuji, Yui; Uwatoko, Teruhisa; Kurita, Hiroshi

    2015-01-01

    Background With reports of a high prevalence of attention-deficit/hyperactivity disorder (ADHD) in adults, publication of ADHD diagnostic criteria in DSM-5, and the urgent need for a relevant diagnostic instrument conforming to DSM-5, we developed the Assessment System for Individuals with ADHD (ASIA), a Japanese semi-structured diagnostic interview. We report here the reliability and validity of ASIA ADHD diagnostic criteria. Methods ASIA ADHD criterion A corresponds to DSM-5 ADHD criterion ...

  3. Reliability and validity of ADHD diagnostic criteria in the Assessment System for Individuals with ADHD (ASIA): A Japanese semi-structured diagnostic interview

    OpenAIRE

    Takeda, Toshinobu; Tsuji, Yui; Uwatoko, Teruhisa; Kurita, Hiroshi

    2015-01-01

    Background: With reports of a high prevalence of attention-deficit/hyperactivity disorder (ADHD) in adults, publication of ADHD diagnostic criteria in DSM-5, and the urgent need for a relevant diagnostic instrument conforming to DSM-5, we developed the Assessment System for Individuals with ADHD (ASIA), a Japanese semi-structured diagnostic interview. We report here the reliability and validity of ASIA ADHD diagnostic criteria. Methods: ASIA ADHD criterion A corresponds to DSM-5 ADHD criterio...

  4. 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.

  5. Factor structure and measurement invariance of the Health Education Impact Questionnaire: Does the subjectivity of the response perspective threaten the contextual validity of inferences?

    OpenAIRE

    Elsworth, Gerald R; Nolte, Sandra; Osborne, Richard H

    2015-01-01

    Objective: On-going evidence is required to support the validity of inferences about change and group differences in the evaluation of health programs, particularly when self-report scales requiring substantial subjectivity in response generation are used as outcome measures. Following this reasoning, the aim of this study was to replicate the factor structure and investigate the measurement invariance of the latest version of the Health Education Impact Questionnaire, a widely used health pr...

  6. Study of the Reliability and Validity of Objective Structured Clinical Examination (OSCE) in the Assessment of Clinical Skills of Audiology Students

    OpenAIRE

    Nickbakht, Mansoureh; Amiri, Marzieh; Latifi, Seyed Mahmoud

    2013-01-01

    Introduction: Audiology students should possess clinical competence and skills. To achieve this, their clinical skills must be properly assessed. The Objective Structured Clinical Examination (OSCE) is a standard and fair examination of clinical competence. The goal of this study is to devise a checklist of OSCE examination criteria and study their validity and reliability for assessing the clinical competence of Audiology students. Methods: Among the various procedures in which audiology stu...

  7. Finite element model validation of bridge based on structural health monitoring—Part I: Response surface-based finite element model updating

    Directory of Open Access Journals (Sweden)

    Zhouhong Zong

    2015-08-01

    Full Text Available In the engineering practice, merging statistical analysis into structural evaluation and assessment is a tendency in the future. As a combination of mathematical and statistical techniques, response surface (RS methodology has been successfully applied to design optimization, response prediction and model validation. With the aid of RS methodology, these two serial papers present a finite element (FE model updating and validation method for bridge structures based on structural health monitoring. The key issues to implement such a model updating are discussed in this paper, such as design of experiment, parameter screening, construction of high-order polynomial response surface model, optimization methods and precision inspection of RS model. The proposed procedure is illustrated by a prestressed concrete continuous rigid-frame bridge monitored under operational conditions. The results from the updated FE model have been compared with those obtained from online health monitoring system. The real application to a full-size bridge has demonstrated that the FE model updating process is efficient and convenient. The updated FE model can relatively reflect the actual condition of Xiabaishi Bridge in the design space of parameters and can be further applied to FE model validation and damage identification.

  8. 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…

  9. Using Structural Equation Modeling to Validate the Theory of Planned Behavior as a Model for Predicting Student Cheating

    Science.gov (United States)

    Mayhew, Matthew J.; Hubbard, Steven M.; Finelli, Cynthia J.; Harding, Trevor S.; Carpenter, Donald D.

    2009-01-01

    The purpose of this paper is to validate the use of a modified Theory of Planned Behavior (TPB) for predicting undergraduate student cheating. Specifically, we administered a survey assessing how the TPB relates to cheating along with a measure of moral reasoning (DIT- 2) to 527 undergraduate students across three institutions; and analyzed the…

  10. Comments on model validation

    International Nuclear Information System (INIS)

    The paper points out the importance and usefulness of recognizing the separate roles of processes and geometric structures in predictive modeling of the performance of a nuclear waste repository or underground injection disposal of toxic wastes. Based on this a validation procedure is proposed. Furthermore, two stages and three elements of validation are described and discussed. Finally, comments are made on the choice of measurables to be used to compare modeling results and field data in the validation procedure. 8 refs

  11. Assessment of the structural validity of the domestic violence healthcare providers’ survey questionnaire using a Nigerian sample

    OpenAIRE

    Stephen Lawoko; Ime Akpan John

    2010-01-01

    Abstract: Background: There has been increased advocacy to involve healthcare providers in the prevention of intimate partner violence (IPV) through screening for it in healthcare. Yet, only one in ten providers screen for IPV, suggesting barriers. Understanding the readiness of healthcare providers to screen for IPV is therefore paramount. The Domestic Violence Healthcare Provider Survey Scales (DVHPSS) is a previously validated, comprehensive scale to study readiness of healthcare providers...

  12. 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.

  13. 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

  14. Validation of mechanical models for reinforced concrete structures: Presentation of the French project 'Benchmark des Poutres de la Rance'

    Energy Technology Data Exchange (ETDEWEB)

    L' Hostis, V. [Laboratoire d' Etude du Comportement des Betons et des Argiles, CEA Saclay (France); Brunet, C. [EDF/SEPTEN, Villeurbanne (France); Poupard, O. [Laboratoire Pierre Sue, CNRS/CEA Saclay (France)]|[Laboratoire d' Etude du Comportement des Betons et des Argiles, CEA Saclay (France); Petre-Lazar, I. [EDF/DRD/MMC (France)

    2006-07-01

    Several ageing models are available for the prediction of the mechanical consequences of rebar corrosion. They are used for service life prediction of reinforced concrete structures. Concerning corrosion diagnosis of reinforced concrete, some Non Destructive Testing (NDT) tools have been developed, and have been in use for some years. However, these developments require validation on existing concrete structures. The French project 'Benchmark des Poutres de la Rance' contributes to this aspect. It has two main objectives: (i) validation of mechanical models to estimate the influence of rebar corrosion on the load bearing capacity of a structure, (ii) qualification of the use of the NDT results to collect information on steel corrosion within reinforced-concrete structures. Ten French and European institutions from both academic research laboratories and industrial companies contributed during the years 2004 and 2005. This paper presents the project that was divided into several work packages: (i) the reinforced concrete beams were characterized from non-destructive testing tools, (ii) the mechanical behaviour of the beams was experimentally tested, (iii) complementary laboratory analysis were performed and (iv) finally numerical simulations results were compared to the experimental results obtained with the mechanical tests. (authors)

  15. Integral Airframe Structures (IAS): Validated Feasibility Study of Integrally Stiffened Metallic Fuselage Panels for Reducing Manufacturing Costs

    Science.gov (United States)

    Munroe, J.; Wilkins, K.; Gruber, M.; Domack, Marcia S. (Technical Monitor)

    2000-01-01

    The Integral Airframe Structures (IAS) program investigated the feasibility of using "integrally stiffened" construction for commercial transport fuselage structure. The objective of the program was to demonstrate structural performance and weight equal to current "built-up" structure with lower manufacturing cost. Testing evaluated mechanical properties, structural details, joint performance, repair, static compression, and two-bay crack residual strength panels. Alloys evaluated included 7050-T7451 plate, 7050-T74511 extrusion, 6013-T6511x extrusion, and 7475-T7351 plate. Structural performance was evaluated with a large 7475-T7351 pressure test that included the arrest of a two-bay longitudinal crack, and a measure of residual strength for a two-bay crack centered on a broken frame. Analysis predictions for the two-bay longitudinal crack panel correlated well with the test results. Analysis activity conducted by the IAS team strongly indicates that current analysis tools predict integral structural behavior as accurately as built-up structure. The cost study results indicated that, compared to built-up fabrication methods, high-speed machining structure from aluminum plate would yield a recurring cost savings of 61%. Part count dropped from 78 individual parts on a baseline panel to just 7 parts for machined IAS structure.

  16. Use of alginate beads as carriers for lactic acid bacteria in a structured system and preliminary validation in a meat product.

    Science.gov (United States)

    Corbo, Maria Rosaria; Bevilacqua, Antonio; Speranza, Barbara; Di Maggio, Barbara; Gallo, Mariangela; Sinigaglia, Milena

    2016-01-01

    This paper proposes the microencapsulation into alginate beads of 4 isolates of lactic acid bacteria (Lactobacillus spp.), previously isolated from pork meat. First, the beads were studied in relation to the encapsulation yield (EY), kinetic of cell release in a structured system, and survival throughout bead storage at 4 °C. EY was 93-96% and the survival of the encapsulated microorganisms was variable, with two isolates showing a bacterial population of 6.1-6.9 log cfu/g after 35 days under refrigerated conditions. Thereafter, the paper addressed a preliminary validation in a meat model system, containing salt, nitrites and nitrates, lactose, pepper, and then in a commercial preparation of pork meat. For the validation in pork meat, free cells were used as controls. Cell released from beads were able to achieve a significant acidification; in particular, after 7 days they showed the same results of free cells. PMID:26476507

  17. Computational study and experimental validation of porous structures fabricated by electron beam melting: A challenge to avoid stress shielding

    International Nuclear Information System (INIS)

    In this paper, several diamond non-stochastic lattice structures, fabricated by electron beam melting, were mechanically characterized by compression tests. A finite element model of the structures was developed, obtaining an equation that estimates the elastic modulus of the lattice structure. Finally, the differences between the numerical and the experimental results were analyzed and discussed. - Highlights: • Diamond non-stochastic lattice structures were fabricated by electron beam melting. • Finite element models of the structures were developed. • An inverse relationship between aspect ratio and elastic modulus it is shown. • An equation that estimates the elastic modulus of the structure was obtained. • Differences between the numerical and the experimental results were discussed

  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......In a fibre-reinforced polymer (FRP) structure designed using the emerging damage tolerance and structural health monitoring philosophy, sensors and models that describe crack propagation will enable a structure to operate despite the presence of damage by fully exploiting the material’s mechanical...... a crack growth/damage event in fibre-reinforced polymer or structural adhesive-bonded structures using embedded fibre Bragg grating (FBG) sensors is presented by combining conventional measured parameters, such as wavelength shift, with parameters associated with measurement errors, typically ignored...

  19. Validity and reliability of a structured interview for early detection and risk assessment of parenting and developmental problems in young children: a cross-sectional study

    Directory of Open Access Journals (Sweden)

    van Stel Henk F

    2012-06-01

    Full Text Available Abstract Background Preventive child health care is well suited for the early detection of parenting and developmental problems. However, as far as the younger age group is concerned, there are no validated early detection instruments which cover both the child and its environment. Therefore, we have developed a broad-scope structured interview which assesses parents’ concerns and their need for support, using both the parental perspective and the experience of the child health care nurse: the Structured Problem Analysis of Raising Kids (SPARK. This study reports the psychometric characteristics of the SPARK. Method A cross-sectional study of 2012 18-month-old children, living in Zeeland, a province of the Netherlands. Inter-rater reliability was assessed in 67 children. Convergent validity was assessed by comparing SPARK-domains with domains in self-report questionnaires on child development and parenting stress. Discriminative validity was assessed by comparing different outcomes of the SPARK between groups with different levels of socio-economic status and by performing an extreme-groups comparison. The user experience of both parents and nurses was assessed with the aid of an online survey. Results The response rate was 92.1% for the SPARK. Self-report questionnaires were returned in the case of 66.9% of the remaining 1721 children. There was selective non-reporting: 33.1% of the questionnaires were not returned, covering 65.2% of the children with a high-risk label according to the SPARK (p  Conclusion The SPARK discriminates between children with a high, increased and low risk of parenting and developmental problems. It does so in a reliable way, but more research is needed on aspects of validity and in other populations.

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

    OpenAIRE

    Ram, Pavani K.; Halder, Amal K.; Stewart P Granger; 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...

  1. 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 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...... 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....

  2. Three dimensional stereolithography models of cancellous bone structures from muCT data: testing and validation of finite element results.

    Science.gov (United States)

    Dobson, C A; Sisias, G; Phillips, R; Fagan, M J; Langton, C M

    2006-04-01

    Stereolithography (STL) models of complex cancellous bone structures have been produced from three-dimensional micro-computed tomography data sets of human cancellous bone histological samples from four skeletal sites. The STL models have been mechanically tested and the derived stiffness compared with that predicted by finite element analysis. The results show a strong correlation (R2 = 0.941) between the predicted and calculated stiffnesses of the structures and show promise for the use of STL as an additional technique to complement the use of finite element models, for the assessment of the mechanical properties of complex cancellous bone structures.

  3. Reliability, factor structure, and validity of the German version of the Trauma Symptom Checklist for Children in a sample of adolescents

    Directory of Open Access Journals (Sweden)

    Simone Matulis

    2015-10-01

    Full Text Available 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.

  4. 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

  5. Validation of Methods for Computational Catalyst Design: Geometries, Structures, and Energies of Neutral and Charged Silver Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Duanmu, Kaining; Truhlar, Donald G.

    2015-04-30

    We report a systematic study of small silver clusters, Agn, Agn+, and Agn–, n = 1–7. We studied all possible isomers of clusters with n = 5–7. We tested 42 exchange–correlation functionals, and we assess these functionals for their accuracy in three respects: geometries (quantitative prediction of internuclear distances), structures (the nature of the lowest-energy structure, for example, whether it is planar or nonplanar), and energies. We find that the ingredients of exchange–correlation functionals are indicators of their success in predicting geometries and structures: local exchange–correlation functionals are generally better than hybrid functionals for geometries; functionals depending on kinetic energy density are the best for predicting the lowest-energy isomer correctly, especially for predicting two-dimensional to three-dimenstional transitions correctly. The accuracy for energies is less sensitive to the ingredient list. Our findings could be useful for guiding the selection of methods for computational catalyst design.

  6. Comprehensive comparison and experimental validation of band-structure calculation methods in III-V semiconductor quantum wells

    Science.gov (United States)

    Zerveas, George; Caruso, Enrico; Baccarani, Giorgio; Czornomaz, Lukas; Daix, Nicolas; Esseni, David; Gnani, Elena; Gnudi, Antonio; Grassi, Roberto; Luisier, Mathieu; Markussen, Troels; Osgnach, Patrik; Palestri, Pierpaolo; Schenk, Andreas; Selmi, Luca; Sousa, Marilyne; Stokbro, Kurt; Visciarelli, Michele

    2016-01-01

    We present and thoroughly compare band-structures computed with density functional theory, tight-binding, k · p and non-parabolic effective mass models. Parameter sets for the non-parabolic Γ, the L and X valleys and intervalley bandgaps are extracted for bulk InAs, GaAs and InGaAs. We then consider quantum-wells with thickness ranging from 3 nm to 10 nm and the bandgap dependence on film thickness is compared with experiments for In0.53Ga0.47 As quantum-wells. The impact of the band-structure on the drain current of nanoscale MOSFETs is simulated with ballistic transport models, the results provide a rigorous assessment of III-V semiconductor band structure calculation methods and calibrated band parameters for device simulations.

  7. Experimental studies on CSRDM specimen to validate the use of Ritz vectors for the response evaluation of structures subjected to multi-support excitation

    Energy Technology Data Exchange (ETDEWEB)

    Balamonica, K.; Ramamohan Rao, A. [AcSIR, CSIR-SERC (India); Nimala Sundaran, M.; Chellapandi, P. [IGCAR, DAE (India); Gopalakrishnan, N., E-mail: ng@serc.res.in [AcSIR, CSIR-SERC (India)

    2015-02-15

    Highlights: • Ritz vector is used for the first time to analyze multi-support excitation problem. • Efficiency of Ritz vector over Eigen vector is studied. • Effect of spatial variation of ground motion in the responses are analyzed. • Experimental testing on CSRDM rod for multi-support excitation has been carried out. • The numerical formulation and their results have been compared with experimental results. - Abstract: The control and safety rod drive mechanism is a classic example of a multiply supported and differentially excited structure as it receives varying inputs at each of its supports as they are connected at different parts of a building. The responses of such systems are conventionally computed using pseudo-static method in which the dynamic component is evaluated by time history analysis, response spectrum method or modal analysis. In the present work the dynamic components are evaluated by using Ritz vectors and are compared with the conventional methods namely time history analysis and modal analysis. The usage of Ritz vectors as an alternative for conventional modal vectors has been validated through an experiment conducted on a control and safety rod drive mechanism (CSRDM) subjected to differential input motion. The validation of the code developed for this purpose is carried out for a bridge structure.

  8. 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.

  9. 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…

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

    OpenAIRE

    Roman Czyba; Grzegorz Szafranski

    2013-01-01

    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 ...

  11. Validation of CALIPSO space-borne-derived aerosol vertical structures using a ground-based lidar in Athens, Greece

    Directory of Open Access Journals (Sweden)

    R. E. Mamouri

    2009-02-01

    Full Text Available We present initial aerosol validation results of the space-borne lidar CALIOP retrievals -onboard the CALIPSO satellite-, using coincident observations performed with a ground-based lidar in Athens, Greece (37.9° N, 23.6° E. A multi-wavelength ground-based backscatter/Raman lidar system is operating since 2000 at the National Technical University of Athens (NTUA in the framework of the European Aerosol Research LIdar NETwork (EARLINET, the first lidar network for tropospheric aerosol studies on a continental scale. Since July 2006, a total of 40 coincidental aerosol ground-based lidar measurements were performed over Athens during CALIPSO overpasses. The duration of the ground-based lidar measurements was approximately two hours, centred on the satellite overpass time. From the statistical analysis of the ground-based/satellite correlative lidar measurements, a mean bias of the order of 22% for daytime measurements and of 8% for nighttime measurements with respect to the CALIPSO profiles was found for altitudes between 3 and 10 km. The mean bias becomes much larger for altitudes lower that 3 km (of the order of 60% which is attributed to the decrease of the CALIOP signal-to-noise ratio, as well as to the incomplete overlap height region of the ground based lidar and finally to the distance between the two instruments, resulting to the observation of possibly different air masses. In cases of aerosols layers underlying cirrus clouds, comparison results for aerosol tropospheric profiles become worst, illustrating the limitations of space-borne downward-looking lidar measurements due to strong signal attenuations.

  12. A non-linear wave decomposition model for efficient wave–structure interaction. Part A: Formulation, validations and analysis

    DEFF Research Database (Denmark)

    Ducrozet, Guillaume; Engsig-Karup, Allan Peter; Bingham, Harry B.;

    2014-01-01

    This paper deals with the development of an enhanced model for solving wave–wave and wave–structure interaction problems. We describe the application of a non-linear splitting method originally suggested by Di Mascio et al. [1], to the high-order finite difference model developed by Bingham et al....... [2] and extended by Engsig-Karup et al. [3] and [4]. The enhanced strategy is based on splitting all solution variables into incident and scattered fields, where the incident field is assumed to be known and only the scattered field needs to be computed by the numerical model. Although this splitting...

  13. Subzero temperature chromatography and top-down mass spectrometry for protein higher-order structure characterization: method validation and application to therapeutic antibodies.

    Science.gov (United States)

    Pan, Jingxi; Zhang, Suping; Parker, Carol E; Borchers, Christoph H

    2014-09-17

    Characterization of the higher-order structure and structural dynamics of proteins is crucial for in-depth understanding of their functions. Amide hydrogen/deuterium exchange (HDX), monitored by mass spectrometry (MS), is now a popular technique for measuring protein higher-order structural changes. Although the proteolysis-based HDX-MS approach is most commonly used, the "top-down" approach, which fragments intact proteins directly using electron-based dissociation, is becoming an important alternative and has several advantages. However, the commonly used top-down strategies are direct-infusion based and thus can only be used with volatile buffers. This has meant that the "top-down" approach could not be used for studying proteins under physiological conditions-the very conditions which are often very important for preserving a protein's native structure and function. More complex proteins such as those with disulfide bonds present another challenge. Therefore, there is significant interest in developing novel top-down HDX methods that are applicable to all types of protein samples. In this paper, we show how top-down electron capture dissociation and subzero temperature HPLC can be combined and used for this purpose. This method keeps the back-exchange level as low as 2% and has no limitations in terms of protein type and sample solution conditions. Close to single-residue level protein structural information can be generated. The new method is validated through comparison with NMR data using calmodulin as a model protein. Its capability of determining structural changes in therapeutic antibodies (Herceptin) is also demonstrated. PMID:25152011

  14. 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

  15. Development, validation and application of a fixed district heating model structure that requires small amounts of input data

    International Nuclear Information System (INIS)

    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

  16. Measuring trauma and stressful events in childhood and adolescence among patients with first-episode psychosis: initial factor structure, reliability, and validity of the Trauma Experiences Checklist.

    Science.gov (United States)

    Cristofaro, Sarah L; Cleary, Sean D; Ramsay Wan, Claire; Broussard, Beth; Chapman, Colby; Haggard, Patrick J; Jananeh, Sara; Myers, Neely L; Compton, Michael T

    2013-12-15

    Past trauma and stressful events, especially in childhood and adolescence, are common among individuals with serious mental illnesses like schizophrenia. Traumatic experiences are thought to be a socio-environmental risk factor not only for poorer outcomes, but also potentially for the onset of these disorders. Because improved measurement tools are needed, we developed and studied, among 205 first-episode psychosis patients, the factor structure, internal consistency reliability, and initial validity of the Trauma Experiences Checklist (TEC), our measure of trauma and stressful events during childhood/adolescence. We assessed validity of subscales using correlations with Childhood Trauma Questionnaire-Short Form, Parental Harsh Discipline, Violence Exposure, and TEC-Informant Version scores. Exploratory factor analysis resulted in two internally consistent subscales (Cronbach's α=0.79 and 0.80, respectively), interpersonal abuse and family stress, and violence, death, and legal involvement. Scores from the former subscale were substantially associated with CTQ-SF physical, emotional, and sexual abuse (r=0.42-0.57, all p<0.001) and Violence Exposure (r=0.49, p<0.001). On the other hand, violence, death, and legal involvement scores were most highly correlated with Violence Exposure (r=0.49, p<0.001), and not with most CTQ-SF subscales. The TEC is a potentially useful tool in assessing diverse traumatic life events across various social contexts during childhood and adolescence.

  17. 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.

  18. Examining the validity of the Structured Assessment of Violence Risk in Youth (SAVRY) for predicting probation outcomes among adjudicated juvenile offenders.

    Science.gov (United States)

    Childs, Kristina K; Ryals, John; Frick, Paul J; Lawing, Kathryn; Phillippi, Stephen W; Deprato, Debra K

    2013-01-01

    The current study examined the ability of the Structured Assessment of Violence Risk for Youth (SAVRY), a standardized risk assessment instrument, to predict probation outcomes among a sample of 158 adjudicated juvenile offenders placed on probation. Traditionally, the SAVRY has been used to measure violence risk among adolescents after release from custody. More recently, a delinquency risk measure based on SAVRY responses was developed, which could be useful for other types of outcome. This study examined the predictive validity of both summary risk ratings (SRR) for probation outcomes, including the reason for terminating probation and length of time on probation. A number of bivariate analyses and Cox regression models provided preliminary support for the ability of the nonviolent delinquency SRR, and modest support for the violence SRR, to predict probation outcomes. The implications for use of the SAVRY SRRs during juvenile justice system decision-making and recommendations for future research are discussed. PMID:23606362

  19. Structural validity and reliability of the Spanish version of the White Bear Suppression Inventory (WBSI) in a sample of the general Spanish population.

    Science.gov (United States)

    González Rodríguez, Manuel; Avero Delgado, Pedro; Rovella, Anna Teresa; Cubas León, Rosario

    2008-11-01

    This paper introduces the validation of the Spanish adaptation of the White Bear Suppression Inventory (WBSI) by Wegner and Zanakos (1994). A sample of 833 people from the general population completed the WBSI along with other questionnaires. The exploratory factor analysis and the confirmatory factor analysis supported a two-factor solution accounting for 51.8% of the cumulative variance. This structure is comprised of the two following factors: unwanted intrusive thoughts (alpha = .87, r = .70) and actions of distraction and suppression of thoughts (alpha = .80, r = .60). Both internal consistency reliability (alpha = .89) and test-retest reliability (r = .71) showed adequate homogeneity, sound consistency, and stability over time. The results are discussed bearing in mind both isolated factors and the possible relationships of the suppression factor with automatic negative thoughts and insomnia. PMID:18988450

  20. Control of Flexible Joint Manipulator via Variable Structure Rule-Based Fuzzy Control and Chaos Anti-Control with Experimental Validation

    Directory of Open Access Journals (Sweden)

    Mojtaba Rostami Kandroodi

    2014-03-01

    Full Text Available This paper presents a variable structure rule-based fuzzy control for trajectory tracking and vibration control of a flexible joint manipulator by using chaotic anti-control. Based on Lyapunov stability theory for variable structure control and fuzzy rules, the nonlinear controller and some generic sufficient conditions for global asymptotic control are attained. The fuzzy rules are directly constructed subject to a Lyapunov function obtained from variable structure surfaces such that the error dynamics of control problem satisfy stability in the Lyapunov sense. Also in this study, the anti-control is applied to reduce the deflection angle of flexible joint system. To achieve this goal, the chaos dynamic must be created in the flexible joint system. So, the flexible joint system has been synchronized to chaotic gyroscope system. In this study, control and anti-control concepts are applied to achieve the high quality performance of flexible joint system. It is tried to design a controller which is capable to satisfy the control and anti- control aims. The performances of the proposed control are examined in terms of input tracking capability, level of vibration reduction and time response specifications. Finally, the efficacy of the proposed method is validated through experimentation on QUANSER’s flexible-joint manipulator.

  1. The joint WAIS-III and WMS-III factor structure: development and cross-validation of a six-factor model of cognitive functioning.

    Science.gov (United States)

    Tulsky, David S; Price, Larry R

    2003-06-01

    During the standardization of the Wechsler Adult Intelligence Scale (3rd ed.; WAIS-III) and the Wechsler Memory Scale (3rd ed.; WMS-III) the participants in the normative study completed both scales. This "co-norming" methodology set the stage for full integration of the 2 tests and the development of an expanded structure of cognitive functioning. Until now, however, the WAIS-III and WMS-III had not been examined together in a factor analytic study. This article presents a series of confirmatory factor analyses to determine the joint WAIS-III and WMS-III factor structure. Using a structural equation modeling approach, a 6-factor model that included verbal, perceptual, processing speed, working memory, auditory memory, and visual memory constructs provided the best model fit to the data. Allowing select subtests to load simultaneously on 2 factors improved model fit and indicated that some subtests are multifaceted. The results were then replicated in a large cross-validation sample (N = 858).

  2. One DOF mechanism for the mechanical harvest of vines in an arbor structure and the validation of the acceleration of grape berry harvesting

    Science.gov (United States)

    Penisi, Osvaldo; Bocca, José; Aguilar, Horacio; Bocca, Pedro

    2015-09-01

    In the mechanized harvest of vines, grape berries are detached through the vibration to the structure supporting the clusters. According to the kind of guide selected, the clusters require one or two vibration directions in the structure. For guiding in parral structures, vibration is necessary in two directions or planes: One perpendicular to the other. The guide branches producing the clusters develop in these planes, and the guiding is called H-guiding. Mechanism theory indicates that a mechanism has as many degrees of freedom as its actuators, and an actuator is needed to achieve a certain vibration. Having the smallest number of possible actuators is beneficial in reducing moving parts and achieving more compact and easily controllable mechanisms. In this case, a single degree-of-freedom mechanism is proposed. It is capable of generating vibrations on two planes: One perpendicular to the other. This mechanism is the sum of two link mechanisms on perpendicular planes with a common outlet located at the output rod of the mechanism where the actuator is found. As the distance between the soil and the elements containing the clusters is not constant, a system has been designed to measure the accelerations at the bars and the rocker to validate the acceleration values that detach the grape berries in a prototype in a lab experiment, to ensure that the acceleration needed for pulling the grape berries are produced at any contact point of the bar.

  3. 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

  4. Assessment of personality organization in couple relationships: factorial structure of the inventory of personality organization and incremental validity over neuroticism.

    Science.gov (United States)

    Verreault, Melissa; Sabourin, Stéphane; Lussier, Yvan; Normandin, Lina; Clarkin, John F

    2013-01-01

    Drawing on a sample of 372 French-Canadian couples, this study examined the factorial structure of a 20-item abbreviated version of the Inventory of Personality Organization (IPO) across a sample of couples and tested if identity diffusion, primitive defenses, and reality testing explain additional variance in couple distress when controlling for neuroticism. The IPO is based on Kernberg's conceptualization of personality organization (Kernberg, 1976 ). Gender differences were also studied through an examination of the value of both self-reported and partner-reported personality in the prediction of each partner's couple satisfaction. Results of confirmatory factor analyses indicated that the tripartite model of the short version of the IPO provided an acceptable fit and proved invariant when tested on couples. Actor-Partner Interdependence Model analyses (Kenny, Kashy, & Cook, 2006 ) showed that elevated neuroticism predicted higher endorsement of primitive defenses, which in turn predict couple dissatisfaction. There was also a direct, negative path from neuroticism to dyadic adjustment. Finally, self-reported neuroticism scores predicted high utilization of primitive defenses by the partner, and low partner-reported couple satisfaction. Furthermore, high self-reported utilization of primitive defenses predicted low couple satisfaction. PMID:22906020

  5. Electronic structure and oxygen vacancies in PdO and ZnO: validation of DFT models.

    Science.gov (United States)

    Bruska, Marta Kinga; Czekaj, Izabela; Delley, Bernard; Mantzaras, John; Wokaun, Alexander

    2011-09-21

    PdO is one of the most important catalytic materials currently used in the industry. In redox catalytic reactions involving PdO, the bulk phase is an additional source of oxygen. This leads to strong transformations not only at the surface of PdO but also in the near sub-surface and bulk regions. The redox process is, therefore, governed not only by the extent of PdO d-band filling, but also depends on the material properties of the PdO crystal--the ease with which its structure can be deformed. Methane oxidation is of key industrial interest, and therein the rate of CH(4) conversion depends strongly on the reversible oxygen defects formation on the surface and in the bulk of the catalyst. The present study gives a first insight into these complex phenomena at the atomistic level. Comparison of different density functional theory (DFT) approaches and their capacity to reproduce experimental values of the heat of formation as well as the band gap of the PdO are discussed in detail. Results from DFT calculations for an oxygen vacancy creation in the bulk and on the surface of PdO are presented and compared at the level of accuracy of the implemented approaches with defect calculations for ZnO. Many different modeling approaches based on functionals and pseudopotentials (non-modified PP and empirically tuned) have been evaluated in their aptness to capture key PdO properties. It was shown that simulations with the PP-115 pseudopotential gave the closest possible agreement to the relevant PdO thermodynamic data and energy of oxygen vacancy formation. PMID:21826290

  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. Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase.

    Science.gov (United States)

    Maltsev, Alexander S; Grishaev, Alexander; Roche, Julien; Zasloff, Michael; Bax, Ad

    2014-03-12

    The antibiotic squalamine forms a lyotropic liquid crystal at very low concentrations in water (0.3-3.5% w/v), which remains stable over a wide range of temperature (1-40 °C) and pH (4-8). Squalamine is positively charged, and comparison of the alignment of ubiquitin relative to 36 previously reported alignment conditions shows that it differs substantially from most of these, but is closest to liquid crystalline cetyl pyridinium bromide. High precision residual dipolar couplings (RDCs) measured for the backbone (1)H-(15)N, (15)N-(13)C', (1)H(α)-(13)C(α), and (13)C'-(13)C(α) one-bond interactions in the squalamine medium fit well to the static structural model previously derived from NMR data. Inclusion into the structure refinement procedure of these RDCs, together with (1)H-(15)N and (1)H(α)-(13)C(α) RDCs newly measured in Pf1, results in improved agreement between alignment-induced changes in (13)C' chemical shift, (3)JHNHα values, and (13)C(α)-(13)C(β) RDCs and corresponding values predicted by the structure, thereby validating the high quality of the single-conformer structural model. This result indicates that fitting of a single model to experimental data provides a better description of the average conformation than does averaging over previously reported NMR-derived ensemble representations. The latter can capture dynamic aspects of a protein, thus making the two representations valuable complements to one another. PMID:24568736

  8. Structural insight into tetrameric hTRPV1 from homology modeling, molecular docking, molecular dynamics simulation, virtual screening, and bioassay validations.

    Science.gov (United States)

    Feng, Zhiwei; Pearce, Larry V; Xu, Xiaomeng; Yang, Xiaole; Yang, Peng; Blumberg, Peter M; Xie, Xiang-Qun

    2015-03-23

    The transient receptor potential vanilloid type 1 (TRPV1) is a heat-activated cation channel protein, which contributes to inflammation, acute and persistent pain. Antagonists of human TRPV1 (hTRPV1) represent a novel therapeutic approach for the treatment of pain. Developing various antagonists of hTRPV1, however, has been hindered by the unavailability of a 3D structure of hTRPV1. Recently, the 3D structures of rat TRPV1 (rTRPV1) in the presence and absence of ligand have been reported as determined by cryo-EM. rTRPV1 shares 85.7% sequence identity with hTRPV1. In the present work, we constructed and reported the 3D homology tetramer model of hTRPV1 based on the cryo-EM structures of rTRPV1. Molecular dynamics (MD) simulations, energy minimizations, and prescreen were applied to select and validate the best model of hTRPV1. The predicted binding pocket of hTRPV1 consists of two adjacent monomers subunits, which were congruent with the experimental rTRPV1 data and the cyro-EM structures of rTRPV1. The detailed interactions between hTRPV1 and its antagonists or agonists were characterized by molecular docking, which helped us to identify the important residues. Conformational changes of hTRPV1 upon antagonist/agonist binding were also explored by MD simulation. The different movements of compounds led to the different conformational changes of monomers in hTRPV1, indicating that TRPV1 works in a concerted way, resembling some other channel proteins such as aquaporins. We observed that the selective filter was open when hTRPV1 bound with an agonist during MD simulation. For the lower gate of hTRPV1, we observed large similarities between hTRPV1 bound with antagonist and with agonist. A five-point pharmacophore model based on several antagonists was established, and the structural model was used to screen in silico for new antagonists for hTRPV1. By using the 3D TRPV1 structural model above, the pilot in silico screening has begun to yield promising hits with

  9. SANSMIC Validation.

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Paula D.; Rudeen, David Keith; Lord, David L.

    2014-08-01

    SANSMIC is solution mining software that was developed and utilized by SNL in its role as geotechnical advisor to the US DOE SPR for planning purposes. Three SANSMIC leach modes - withdrawal, direct, and reverse leach - have been revalidated with multiple test cases for each mode. The withdrawal mode was validated using high quality data from recent leach activity while the direct and reverse modes utilized data from historical cavern completion reports. Withdrawal results compared very well with observed data, including the location and size of shelves due to string breaks with relative leached volume differences ranging from 6 - 10% and relative radius differences from 1.5 - 3%. Profile comparisons for the direct mode were very good with relative leached volume differences ranging from 6 - 12% and relative radius differences from 5 - 7%. First, second, and third reverse configurations were simulated in order to validate SANSMIC over a range of relative hanging string and OBI locations. The first-reverse was simulated reasonably well with relative leached volume differences ranging from 1 - 9% and relative radius differences from 5 - 12%. The second-reverse mode showed the largest discrepancies in leach profile. Leached volume differences ranged from 8 - 12% and relative radius differences from 1 - 10%. In the third-reverse, relative leached volume differences ranged from 10 - 13% and relative radius differences were %7E4 %. Comparisons to historical reports were quite good, indicating that SANSMIC is essentially the same as documented and validated in the early 1980's.

  10. 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.

  11. 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.

  12. 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

    International Nuclear Information System (INIS)

    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

  13. 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.

  14. Validation through Understanding Test-Taking Strategies: An Illustration With the CELPIP-General Reading Pilot Test Using Structural Equation Modeling

    Science.gov (United States)

    Wu, Amery D.; Stone, Jake E.

    2016-01-01

    This article explores an approach for test score validation that examines test takers' strategies for taking a reading comprehension test. The authors formulated three working hypotheses about score validity pertaining to three types of test-taking strategy (comprehending meaning, test management, and test-wiseness). These hypotheses were…

  15. 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...

  16. Validated dynamic flow model

    DEFF Research Database (Denmark)

    Knudsen, Torben

    2011-01-01

    The purpose with this deliverable 2.5 is to use fresh experimental data for validation and selection of a flow model to be used for control design in WP3-4. Initially the idea was to investigate the models developed in WP2. However, in the project it was agreed to include and focus on a additive...... model structure suggested by University of Lund the WP4 leader. This particular model structure has the advantages that it fits better into the control design frame work used by WP3-4 compared to the model structures previously developed in WP2. The different model structures are first summarised...... model turns out not to be useful for prediction of the flow. Moreover, standard Box Jenkins model structures and multiple output auto regressive models proves to be superior as they can give useful predictions of the flow....

  17. Enhanced XML Validation Using SRML

    Directory of Open Access Journals (Sweden)

    Miklos Kalman

    2013-10-01

    Full Text Available Data validation is becoming more and more important with the ever-growing amount of data being consumed and transmitted by systems over the Internet. It is important to ensure that the data being sent is valid as it may contain entry errors, which may be consumed by different systems causing further errors. XML has become the defacto standard for data transfer. The XML Schema Definition language (XSD was created to help XML structural validation and provide a schema for data type restrictions, however it does not allow for more complex situations. In this article we introduce a way to provide rule based XML validation and correction through the extension and improvement of our SRML metalanguage. We also explore the option of applying it in a database as a trigger for CRUD operations allowing more granular dataset validation on an atomic level allowing for more complex dataset record validation rules.

  18. xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

    International Nuclear Information System (INIS)

    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

  19. 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)

    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

  20. 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

  1. Miniaturized side-viewing imaging probe for fluorescence lifetime imaging (FLIM): validation with fluorescence dyes, tissue structural proteins and tissue specimens

    Science.gov (United States)

    Elson, D. S.; Jo, J. A.; Marcu, L.

    2007-05-01

    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.

  2. Reexamining the Factorial Structure of the Maslach Burnout Inventory for Elementary, Intermediate, and Secondary Teachers: A Cross-Validated Confirmatory Factor Analytic Study.

    Science.gov (United States)

    Byrne, Barbara M.

    The factorial validity of the Maslach Burnout Inventory (MBI) was studied for 2,931 Canadian teachers (48.2% males and 51.8% females) as a single professional group and for subsamples of this group (1,159 elementary school teachers, 388 intermediate school teachers, and 1,384 secondary school teachers). Study participants were full-time teachers…

  3. Validation of community robustness

    CERN Document Server

    Carissimo, Annamaria; Defeis, Italia

    2016-01-01

    The large amount of work on community detection and its applications leaves unaddressed one important question: the statistical validation of the results. In this paper we present a methodology able to clearly detect if the community structure found by some algorithms is statistically significant or is a result of chance, merely due to edge positions in the network. Given a community detection method and a network of interest, our proposal examines the stability of the partition recovered against random perturbations of the original graph structure. To address this issue, we specify a perturbation strategy and a null model to build a set of procedures based on a special measure of clustering distance, namely Variation of Information, using tools set up for functional data analysis. The procedures determine whether the obtained clustering departs significantly from the null model. This strongly supports the robustness against perturbation of the algorithm used to identify the community structure. We show the r...

  4. Steklite, KAl(SO4)2: A finding at the Tolbachik Volcano, Kamchatka, Russia, validating its status as a mineral species and crystal structure

    Science.gov (United States)

    Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeva, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E.

    2013-12-01

    Steklite KAl(SO4)2 has been found in sublimates of the Yadovitaya (Poisonous) fumarole at the second cinder cone of the northern breach of the Great Fissure Tolbachik Eruption, Tolbachik volcano, Kamchatka Peninsula, Russia. Steklite was approved as a valid mineral species by the Commission on New Minerals, Nomenclature, and Mineral Classification of the International Mineralogical Association on June 2, 2011 (IMA no. 2011-041). The name steklite is left for this mineral, as it was named by Chesnokov et al. (1995) for its technogenic analog from a burnt dump of coal mine no. 47 at Kopeisk, the Southern Urals, Russia. It is named after the Russian word steklo, meaning glass, in allusion to the visual similarity of its lamellae to thin glass platelets. At Tolbachik, steklite is associated with alumoklyuchevskite, langbeinite, euchlorine, fedotovite, chalcocyanite, hematite, and lyonsite. It occurs as hexagonal or irregular-shaped lamellar crystals with the major form {001} reaching 30 μm in thickness and 0.2 mm (occasionally up to 1 mm) in width. The crystals are frequently split. They are combined into openwork aggregates or thin crusts up to 1.5 × 2.5 cm in area. Steklite is transparent and colorless, with vitreous luster. The cleavage is perfect, parallel to (001). The mineral is brittle. The Mohs' hardness is 2.5. D calc is 2.797 g/cm3. Steklite is optically uniaxial, (-), ω = 1.546(2), ɛ = 1.533(3). The chemical composition (wt %, electron-microprobe data) is as follows: 0.09 Na2O, 18.12 K2O, 0.08 CaO, 0.03 MnO, 2.02 Fe2O3, 18.18 Al2O3, 61.80 SO3. The total is 100.37. The empirical formula calculated on the basis of eight O atoms is: (K0.997Na0.008Ca0.004)Σ1.009(Al0.925Fe{0.066/3+}Mg0.003Mn0.001)Σ0.995S2.01O8. Steklite is trigonal, space group P321, a = 4.7281(3), c = 7.9936(5) Å, V = 154.76(17)Å3, Z =1. The strongest reflections in the X-ray powder diffraction pattern ( d, Å- I[ hkl]) are: 8.02-34[001], 4.085-11[100], 3.649-100[011, 101], 2

  5. Clinical assessment of bipolar depression: validity, factor structure and psychometric properties of the Korean version of the Bipolar Depression Rating Scale (BDRS)

    OpenAIRE

    Jung, Young-Eun; Kim, Moon-Doo; Bahk, Won-Myong; Woo, Young Sup; Lee, Jonghun; Jang, Sae-Heon; Won, Seunghee; Min, Kyung Joon; Chung, Sangkeun; Kwon, Young-Joon; Jon, Duk-In; Lee, Kwanghun; Yoon, Bo-Hyun

    2016-01-01

    Background The Bipolar Depression Rating Scale (BDRS) is a scale for assessment of the clinical characteristics of bipolar depression. The primary aims of this study were to describe the development of the Korean version of the BDRS (K-BDRS) and to establish more firmly its psychometric properties in terms of reliability and validity. Methods The study included 141 patients (62 male and 79 female) who had been diagnosed with bipolar disorder, were currently experiencing symptoms of depression...

  6. 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

  7. Application of Hydration Thermodynamics to the Evaluation of Protein Structures and Protein-Ligand Binding

    Directory of Open Access Journals (Sweden)

    Yuichi Harano

    2012-08-01

    Full Text Available Discovering the mechanism that controls the three-dimensional structures of proteins, which are closely related to their biological functions, remains a challenge in modern biological science, even for small proteins. From a thermodynamic viewpoint, the native structure of a protein can be understood as the global minimum of the free energy landscape of the protein-water system. However, it is still difficult to describe the energetics of protein stability in an effective manner. Recently, our group developed a free energy function with an all-atomic description for a protein that focuses on hydration thermodynamics. The validity of the function was examined using structural decoy sets that provide numerous misfolded “non-native” structures. For all targeted sets, the function was able to identify the experimentally determined native structure as the best structure. The energy function can also be used to calculate the binding free energy of a protein with ligands. I review the physicochemical theories employed in the development of the free energy function and recent studies evaluating protein structure stability and protein-ligand binding affinities that use this function.

  8. 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.

  9. 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...

  10. Principles of Proper Validation

    DEFF Research Database (Denmark)

    Esbensen, Kim; Geladi, Paul

    2010-01-01

    of proper validation objectives implies that there is one valid paradigm only: test set validation. (iii) Contrary to much contemporary chemometric practices (and validation myths), cross-validation is shown to be unjustified in the form of monolithic application of a one-for-all procedure (segmented cross-validation......) on all data sets. Within its own design and scope, cross-validation is in reality a sub-optimal simulation of test set validation, crippled by a critical sampling variance omission, as it manifestly is based on one data set only (training data set). Other re-sampling validation methods are shown...... into all variance generating factors, especially the so-called incorrect sampling errors, which, if not properly eliminated, are responsible for a fatal inconstant sampling bias, for which no statistical correction is possible. In the light of TOS it is shown how a second data set (test set, validation set...

  11. Discourse structures in medical reports--watch out! The generation of referentially coherent and valid text knowledge bases in the MEDSYNDIKATE system.

    Science.gov (United States)

    Hahn, U; Romacker, M; Schulz, S

    1999-01-01

    The automatic analysis of medical narratives currently suffers from neglecting text structure phenomena such as referential relations between discourse units. This has unwarranted effects on the descriptional adequacy of medical knowledge bases automatically generated from texts. The resulting representation bias can be characterized in terms of incomplete, artificially fragmented and referentially invalid knowledge structures. We focus here on four basic types of textual reference relations, viz. pronominal and nominal anaphora, textual ellipsis and metonymy and show how to deal with them in an adequate text parsing device. Since the types of reference relations we discuss show an increasing dependence on conceptual background knowledge, we stress the need for formally grounded, expressive conceptual representation systems for medical knowledge. Our suggestions are based on experience with MEDSYNDIKATE, a medical text knowledge acquisition system designed to properly deal with various sorts of discourse structure phenomena. PMID:10075128

  12. An attempt to validate the ultra-accelerated microbar and the concrete performance test with the degree of AAR-induced damage observed in concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Leemann, Andreas, E-mail: andreas.leemann@empa.ch [Empa, Dübendorf (Switzerland); Merz, Christine [Holcim (Schweiz) AG, Würenlingen (Switzerland)

    2013-07-15

    There is little knowledge about the relation between AAR-induced damage observed in structures and the expansion potential obtained with accelerated tests. In this study, aggregates used in structures damaged by AAR were tested with the microbar test (MBT/AFNOR XP 18-594) and the concrete performance test (CPT/AFNOR P18-454). After the tests, the samples were examined using optical and scanning electron microscopy. Based on the results, the significance of the microbar test has to be examined very critically. The agreement of measured expansion, reacted rock types and the composition of the reaction products between the on-site concrete and the reproduced concrete subjected to the CPT clearly indicates that the reaction mechanisms in the structure and in the concrete performance test are comparable. As such, the concrete performance test seems to be an appropriate tool to test the potential reactivity of specific concrete mixtures.

  13. 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.

  14. 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

    and the importance of each individual criterion; (2) overall strength of evidence in support of each of the 5 candidate biomarkers as reflecting structural damage endpoints in rheumatoid arthritis (RA) and identification of omissions to the criteria set. RESULTS: The search identified 111 articles. The strength...... 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...

  15. Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation.

    Science.gov (United States)

    Sharma, Pragati; Roy, Sudip; Karimi-Varzaneh, Hossein Ali

    2016-02-25

    Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (Tg) of cis- and trans-1,4-polybutadiene (PB) and 1,4-polyisoprene (PI). Both all-atomistic and united-atom models have been simulated using force fields, already available in literature. The accuracy of these decade old force fields has been tested by comparing calculated glass-transition temperatures to the corresponding experimental values. Tg depicts the phase transition in elastomers and substantially affects various physical properties of polymers, and hence the reproducibility of Tg becomes very crucial from a thermodynamic point of view. Such validation using Tg also evaluates the ability of these force fields to be used for advanced materials like rubber nanocomposites, where Tg is greatly affected by the presence of fillers. We have calculated Tg for a total of eight systems, featuring all-atom and united-atom models of cis- and trans-PI and -PB, which are the major constituents of natural and synthetic rubber. Tuning and refinement of the force fields has also been done using quantum-chemical calculations to obtain desirable density and Tg. Thus, a set of properly validated force fields, capable of reproducing various macroscopic properties of rubber, has been provided. A novel polymer equilibration protocol, involving potential energy convergence as the equilibration criterion, has been proposed. We demonstrate that not only macroscopic polymer properties like density, thermal expansion coefficient, and Tg but also local structural characteristics like end-to-end distance (R) and radius of gyration (Rg) and mechanical properties like bulk modulus have also been equilibrated using our strategy. Complete decay of end-to-end vector autocorrelation function with time also supports proper equilibration using our strategy. PMID:26836395

  16. Parsimonious rainfall-runoff model construction supported by time series processing and validation of hydrological extremes - Part 1: Step-wise model-structure identification and calibration approach

    Science.gov (United States)

    Willems, Patrick

    2014-03-01

    Common problems faced by rainfall-runoff modellers are data limitation, model overparameterization and related problems of parameter identifiability. Depending on the application, possible solutions to overcome these problems include the use of parsimonious conceptual models, avoid the use of a fixed pre-defined model conceptualization, but apply a “top-down” or “downward” method to allow the model structure to be adjusted or inferred from available data and field evidence. This paper presents a top-down procedure that starts from a generalized model structure framework that is adjusted in a case-specific parsimonious way. The model-structure building is done in a transparent, step-wise way, where separate parts of the model structure are identified and calibrated based on multiple and non-commensurable information derived from river flow series by means of a number of sequential time series processing tasks. These include separation of the high frequency (e.g., hourly, daily) river flow series into subflows, split of the series in approx. independent quick and slow flow hydrograph periods, and the extraction of independent peak and low flows. The model building and calibration account for the statistical assumptions and requirements on independency and homoscedasticity of the model residuals. Next to identification of the subflow recessions and related routing submodels, equations describing quick and slow runoff sub-responses and soil water storage are derived from the time series data. The method includes testing of the model performance for peak and low flow extremes.

  17. The Structure of Self-Serving Cognitive Distortions: A Validation of the "How I Think" Questionnaire in a Sample of Italian Adolescents

    Science.gov (United States)

    Bacchini, Dario; De Angelis, Grazia; Affuso, Gaetana; Brugman, Daniel

    2016-01-01

    This study aims to investigate the structure of self-serving cognitive distortions (CD), evaluating the psychometric properties of the How I Think Questionnaire in a sample of Italian adolescents. A confirmatory factor analysis supported the distinction between four categories of CD and the use of a single second-order dimension of CD. Reliability…

  18. 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.

  19. The Anxiety Sensitivity Index--Revised: Confirmatory Factor Analyses, Structural Invariance in Caucasian and African American Samples, and Score Reliability and Validity

    Science.gov (United States)

    Arnau, Randolph C.; Broman-Fulks, Joshua J.; Green, Bradley A.; Berman, Mitchell E.

    2009-01-01

    The most commonly used measure of anxiety sensitivity is the 36-item Anxiety Sensitivity Index--Revised (ASI-R). Exploratory factor analyses have produced several different factors structures for the ASI-R, but an acceptable fit using confirmatory factor analytic approaches has only been found for a 21-item version of the instrument. We evaluated…

  20. Analysis and experimental validation of the middle-frequency vibro-acoustic coupling property for aircraft structural model based on the wave coupling hybrid FE-SEA method

    Science.gov (United States)

    Yan, Yunju; Li, Pengbo; Lin, Huagang

    2016-06-01

    The finite element (FE) method is suitable for low frequency analysis and the statistical energy analysis (SEA) for high frequency analysis, but the vibro-acoustic coupling analysis at middle frequency, especially with a certain range of uncertainty system, requires some new methods. A hybrid FE-SEA method is proposed in this study and the Monte Carlo method is used to check the hybrid FE-SEA method through the energy response analysis of a beam-plate built-up structure with some uncertainty, and the results show that two kinds of calculation results match well consistently. Taking the advantage of the hybrid FE-SEA method, the structural vibration and the cabin noise field responses under the vibro-acoustic coupling for an aircraft model are numerically analyzed, and, also, the corresponding experiment is carried out to verify the simulated results. Results show that the structural vibration responses at low frequency accord well with the experiment, but the error at high frequency is greater. The error of sound pressure response level in cabin throughout the spectrum is less than 3 dB. The research proves the reliability of the method proposed in this paper. This indicates that the proposed method can overcome the strict limitations of the traditional method for a large complex structure with uncertainty factors, and it can also avoid the disadvantages of solving complex vibro-acoustic system using the finite element method or statistical energy analysis in the middle frequency.

  1. 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. PMID:26192536

  2. Structure-based design, synthesis and validation of CD4-mimetic small molecule inhibitors of HIV-1 entry: conversion of a viral entry agonist to an antagonist.

    Science.gov (United States)

    Courter, Joel R; Madani, Navid; Sodroski, Joseph; Schön, Arne; Freire, Ernesto; Kwong, Peter D; Hendrickson, Wayne A; Chaiken, Irwin M; LaLonde, Judith M; Smith, Amos B

    2014-04-15

    This Account provides an overview of a multidisciplinary consortium focused on structure-based strategies to devise small molecule antagonists of HIV-1 entry into human T-cells, which if successful would hold considerable promise for the development of prophylactic modalities to prevent HIV transmission and thereby alter the course of the AIDS pandemic. Entry of the human immunodeficiency virus (HIV) into target T-cells entails an interaction between CD4 on the host T-cell and gp120, a component of the trimeric envelope glycoprotein spike on the virion surface. The resultant interaction initiates a series of conformational changes within the envelope spike that permits binding to a chemokine receptor, formation of the gp41 fusion complex, and cell entry. A hydrophobic cavity at the CD4-gp120 interface, defined by X-ray crystallography, provided an initial site for small molecule antagonist design. This site however has evolved to facilitate viral entry. As such, the binding of prospective small molecule inhibitors within this gp120 cavity can inadvertently trigger an allosteric entry signal. Structural characterization of the CD4-gp120 interface, which provided the foundation for small molecule structure-based inhibitor design, will be presented first. An integrated approach combining biochemical, virological, structural, computational, and synthetic studies, along with a detailed analysis of ligand binding energetics, revealed that modestly active small molecule inhibitors of HIV entry can also promote viral entry into cells lacking the CD4 receptor protein; these competitive inhibitors were termed small molecule CD4 mimetics. Related congeners were subsequently identified with both improved binding affinity and more potent viral entry inhibition. Further assessment of the affinity-enhanced small molecule CD4 mimetics demonstrated that premature initiation of conformational change within the viral envelope spike, prior to cell encounter, can lead to irreversible

  3. Novel Model Predictive Control of a PM Synchronous Motor Drive; Design of the Innovative Structure, Feasibility and Stability Analysis, Efficient Implementation, Experimental Validation

    OpenAIRE

    Preindl, Matthias

    2014-01-01

    This text focuses on advanced torque control of permanent magnet synchronous motor drives. A novel modular structure is introduced to simplify the design and implementation of Model Predictive Control (MPC). The layout consists of the control and the control framework. The dynamic control is the novel virtual flux controller, which is used to reach desired reference values, and the state observer, which is used to reduce effects of non-modeled system properties. The control framework consists...

  4. 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.

  5. Psychological Test Validity

    Directory of Open Access Journals (Sweden)

    Gessmann H.-W.

    2015-02-01

    Full Text Available This paper presents a theoretical overview of current aspects about the validity problems of psychological tests. The article demonstrates the importance of the development of psychological tests and the scientific studies of their validity, describes the different types of validity and the possible ways of measurement and determination of the validity coefficients. The paper is recommended for researchers, whose work is dedicated to the development, modification or adaptation of the psychological test.

  6. 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.

  7. The Concept of Validity

    Science.gov (United States)

    Borsboom, Denny; Mellenbergh, Gideon J.; van Heerden, Jaap

    2004-01-01

    This article advances a simple conception of test validity: A test is valid for measuring an attribute if (a) the attribute exists and (b) variations in the attribute causally produce variation in the measurement outcomes. This conception is shown to diverge from current validity theory in several respects. In particular, the emphasis in the…

  8. Validation and structural characterization of the LEDGF/p75-MLL interface as a new target for the treatment of MLL-dependent leukemia.

    Science.gov (United States)

    Cermáková, Kateřina; Tesina, Petr; Demeulemeester, Jonas; El Ashkar, Sara; Méreau, Hélène; Schwaller, Juerg; Rezáčová, Pavlína; Veverka, Vaclav; De Rijck, Jan

    2014-09-15

    Mixed lineage leukemia (MLL) fusion-driven acute leukemias represent a genetically distinct subset of leukemias with poor prognosis. MLL forms a ternary complex with the lens epithelium-derived growth factor (LEDGF/p75) and MENIN. LEDGF/p75, a chromatin reader recognizing H3K36me3 marks, contributes to the association of the MLL multiprotein complex to chromatin. Formation of this complex is critical for the development of MLL leukemia. Available X-ray data represent only a partial structure of the LEDGF/p75-MLL-MENIN complex. Using nuclear magnetic resonance spectroscopy, we identified an additional LEDGF/p75-MLL interface, which overlaps with the binding site of known LEDGF/p75 interactors-HIV-1 integrase, PogZ, and JPO2. Binding of these proteins or MLL to LEDGF/p75 is mutually exclusive. The resolved structure, as well as mutational analysis, shows that the interaction is primarily sustained via two aromatic residues of MLL (F148 and F151). Colony-forming assays in MLL-AF9(+) leukemic cells expressing MLL interaction-defective LEDGF/p75 mutants revealed that this interaction is essential for transformation. Finally, we show that the clonogenic growth of primary murine MLL-AF9-expressing leukemic blasts is selectively impaired upon overexpression of a LEDGF/p75-binding cyclic peptide CP65, originally developed to inhibit the LEDGF/p75-HIV-1 integrase interaction. The newly defined protein-protein interface therefore represents a new target for the development of therapeutics against LEDGF/p75-dependent MLL fusion-driven leukemic disorders. Cancer Res; 74(18); 5139-51. ©2014 AACR.

  9. 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)

  10. 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

    International Nuclear Information System (INIS)

    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)

  11. 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.

  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. Elucidating the higher-order structure of biopolymers by structural probing and mass spectrometry: MS3D

    Science.gov (United States)

    Fabris, Daniele; Yu, Eizadora T.

    2010-01-01

    Chemical probing represents a very versatile alternative for studying the structure and dynamics of substrates that are intractable by established high-resolution techniques. The implementation of MS-based strategies for the characterization of probing products has not only extended the range of applicability to virtually all types of biopolymers, but has also paved the way for the introduction of new reagents that would not have been viable with traditional analytical platforms. As the availability of probing data is steadily increasing on the wings of the development of dedicated interpretation aids, powerful computational approaches have been explored to enable the effective utilization of such information to generate valid molecular models. This combination of factors has contributed to making the possibility of obtaining actual 3D structures by MS-based technologies (MS3D) a reality. Although approaches for achieving structure determination of unknown substrates or assessing the dynamics of known structures may share similar reagents and development trajectories, they clearly involve distinctive experimental strategies, analytical concerns, and interpretation paradigms. This Perspective offers a commentary on methods aimed at obtaining distance constraints for the modeling of full-fledged structures, while highlighting common elements, salient distinctions, and complementary capabilities exhibited by methods employed in dynamics studies. We discuss critical factors to be addressed for completing effective structural determinations and expose possible pitfalls of chemical methods. We survey programs developed for facilitating the interpretation of experimental data and discuss possible computational strategies for translating sparse spatial constraints into all-atom models. Examples are provided to illustrate how the concerted application of very diverse probing techniques can lead to the solution of actual biological substrates. PMID:20648672

  14. Combined Molecular Dynamics Simulations and Experimental Studies of the Structure and Dynamics of Poly-Amido-Saccharides.

    Science.gov (United States)

    Chin, Stacy L; Lu, Qing; Dane, Eric L; Dominguez, Laura; McKnight, Christopher J; Straub, John E; Grinstaff, Mark W

    2016-05-25

    Poly-amido-saccharides (PAS) are carbohydrate-based, enantiopure synthetic polymers in which sugar repeat units are joined by amide linkages. This unique and relatively rigid pyranose backbone contributes to their defined helical secondary structure and remarkable chemical properties. Glucose- (glc-) and galactose- (gal-) PAS 10-mer structures are synthesized and investigated with molecular dynamics (MD) simulations and experimental measurements. Quantum mechanical DFT energy minimization calculations, as well as experimental observables including circular dichroism, (1)H,(13)C-HSQC, and (1)H,(1)H-NOESY 2D-NMR studies, validated the all-atom simulation models produced using a modified CHARMM force field. Water radial distribution functions show distinct differences in the glc- and gal-PAS systems that correlate well with observed differences in solubility between gal-PASs and glc-PASs. The computational analysis and MD simulations are in good agreement with experimental results, validating the proposed models as reliable representations of novel glc- and gal-PASs.

  15. 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)....

  16. Validation of HEDR models

    International Nuclear Information System (INIS)

    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

  17. Validation of simulation models

    DEFF Research Database (Denmark)

    Rehman, Muniza; Pedersen, Stig Andur

    2012-01-01

    of models with regards to their purpose, character, field of application and time dimension inherently calls for a similar diversity in validation approaches. A classification of models in terms of the mentioned elements is presented and used to shed light on possible types of validation leading...... of models has been somewhat narrow-minded reducing the notion of validation to establishment of truth. This article puts forward the diversity in applications of simulation models that demands a corresponding diversity in the notion of validation....

  18. Validation of HEDR models

    International Nuclear Information System (INIS)

    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 predictions 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

  19. Computational modeling and validation studies of 3-D structure of neuraminidase protein of H1N1 influenza A virus and subsequent in silico elucidation of piceid analogues as its potent inhibitors.

    Science.gov (United States)

    Gupta, Chhedi Lal; Akhtar, Salman; Bajpaib, Preeti; Kandpal, K N; Desai, G S; Tiwari, Ashok K

    2013-01-01

    Emergence of the drug resistant variants of the Influenza A virus in the recent years has aroused a great need for the development of novel neuraminidase inhibitors for controlling the pandemic. The neuraminidase (NA) protein of the influenza virus has been the most potential target for the anti-influenza. However, in the absence of any experimental structure of the drug targeting NA protein of H1N1 influenza A virus as zanamivir and oseltamivir, the comprehensive study of the interaction of the drug molecules with the target protein has been missing. Hence in this study a computational 3-D structure of neuraminidase of H1N1 influenza A virus has been developed using homology modeling technique, and the same was validated for its reliability by ProSA web server in term of energy profile & Z scores and PROCHECK program followed by Ramachandran plot. Further, the developed 3-D model had been employed for docking studies with the class of compounds as Piceid and its analogs. In this context, two novel compounds (ChemBank ID 2110359 and 3075417) were found to be more potent inhibitors of neuraminidase than control drugs as zanamivir and oseltamivir in terms of their robust binding energies, strong inhibition constant (Ki) and better hydrogen bond interactions between the protein-ligand complex. The interaction of these compounds with NA protein has been significantly studied at the molecular level.

  20. Automatic molecular structure perception for the universal force field.

    Science.gov (United States)

    Artemova, Svetlana; Jaillet, Léonard; Redon, Stephane

    2016-05-15

    The Universal Force Field (UFF) is a classical force field applicable to almost all atom types of the periodic table. Such a flexibility makes this force field a potential good candidate for simulations involving a large spectrum of systems and, indeed, UFF has been applied to various families of molecules. Unfortunately, initializing UFF, that is, performing molecular structure perception to determine which parameters should be used to compute the UFF energy and forces, appears to be a difficult problem. Although many perception methods exist, they mostly focus on organic molecules, and are thus not well-adapted to the diversity of systems potentially considered with UFF. In this article, we propose an automatic perception method for initializing UFF that includes the identification of the system's connectivity, the assignment of bond orders as well as UFF atom types. This perception scheme is proposed as a self-contained UFF implementation integrated in a new module for the SAMSON software platform for computational nanoscience (http://www.samson-connect.net). We validate both the automatic perception method and the UFF implementation on a series of benchmarks. PMID:26927616

  1. STOCK: Structure mapper and online coarse-graining kit for molecular simulations

    International Nuclear Information System (INIS)

    We present a web toolkit STructure mapper and Online Coarse-graining Kit for setting up coarse-grained molecular simulations. The kit consists of two tools: structure mapping and Boltzmann inversion tools. The aim of the first tool is to define a molecular mapping from high, e.g. all-atom, to low, i.e. coarse-grained, resolution. Using a graphical user interface it generates input files, which are compatible with standard coarse-graining packages, e.g. VOTCA and DLCGMAP. Our second tool generates effective potentials for coarse-grained simulations preserving the structural properties, e.g. radial distribution functions, of the underlying higher resolution model. The required distribution functions can be provided by any simulation package. Simulations are performed on a local machine and only the distributions are uploaded to the server. The applicability of the toolkit is validated by mapping atomistic pentane and polyalanine molecules to a coarse-grained representation. Effective potentials are derived for systems of TIP3P (transferable intermolecular potential 3 point) water molecules and salt solution. The presented coarse-graining web toolkit is available at http://stock.cmm.ki.si

  2. SOSS ICN Model Validation

    Science.gov (United States)

    Zhu, Zhifan

    2016-01-01

    Under the NASA-KAIA-KARI ATM research collaboration agreement, SOSS ICN Model has been developed for Incheon International Airport. This presentation describes the model validation work in the project. The presentation will show the results and analysis of the validation.

  3. An SAT® Validity Primer

    Science.gov (United States)

    Shaw, Emily J.

    2015-01-01

    This primer should provide the reader with a deeper understanding of the concept of test validity and will present the recent available validity evidence on the relationship between SAT® scores and important college outcomes. In addition, the content examined on the SAT will be discussed as well as the fundamental attention paid to the fairness of…

  4. Checklists for external validity

    DEFF Research Database (Denmark)

    Dyrvig, Anne-Kirstine; Kidholm, Kristian; Gerke, Oke;

    2014-01-01

    RATIONALE, AIMS AND OBJECTIVES: The quality of the current literature on external validity varies considerably. An improved checklist with validated items on external validity would aid decision-makers in judging similarities among circumstances when transferring evidence from a study setting...... 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...

  5. Satellite stratospheric aerosol measurement validation

    Science.gov (United States)

    Russell, P. B.; Mccormick, M. P.

    1984-01-01

    The validity of the stratospheric aerosol measurements made by the satellite sensors SAM II and SAGE was tested by comparing their results with each other and with results obtained by other techniques (lider, dustsonde, filter, and impactor). The latter type of comparison required the development of special techniques that convert the quantity measured by the correlative sensor (e.g. particle backscatter, number, or mass) to that measured by the satellite sensor (extinction) and quantitatively estimate the uncertainty in the conversion process. The results of both types of comparisons show agreement within the measurement and conversion uncertainties. Moreover, the satellite uncertainty is small compared to aerosol natural variability (caused by seasonal changes, volcanoes, sudden warmings, and vortex structure). It was concluded that the satellite measurements are valid.

  6. 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

  7. Model Validation Status Review

    International Nuclear Information System (INIS)

    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

  8. 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.

  9. Introduction to Validity

    Institute of Scientific and Technical Information of China (English)

    张楠

    2015-01-01

    The designing of a test paper strictly follows the specification of the relevant Testing Syllabus, which covers various skills and abilities needed for real communicative situation. A test with high content validity is likely to have a positive impact upon the teaching. Therefore, a test with a high content validity will undoubtedly promote the college English education and it will certainly facilitate the implementation of the Syllabus.

  10. 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

  11. Validation suite for MCNP

    Energy Technology Data Exchange (ETDEWEB)

    Mosteller, R. D. (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.

  12. A fingerprint based metric for measuring similarities of crystalline structures

    OpenAIRE

    Zhu, Li; Amsler, Maximilian; Fuhrer, Tobias; Schaefer, Bastian; Faraji, Somayeh; Rostami, Samare; Ghasemi, S. Alireza; Sadeghi, Ali; Grauzinyte, Migle; Wolverton, Christopher; Goedecker, Stefan

    2015-01-01

    Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe periodic systems, are quantities not suitable as fingerprints to distinguish structures. Based on a characterization of the local environment of all atoms in a cell we introduce crystal fingerprints that can be calculated easily and allow to define configurati...

  13. 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.

  14. An Estimation Method of a Constitutive-law for the Rod Model of DNA using Discrete-Structure Simulations

    CERN Document Server

    Hinkle, Adam R; Palanthandalam-Madapusi, Harish J

    2009-01-01

    The continuum-rod model has emerged as an efficient tool to describe the long-length-scale structural-deformations of DNA which are critical to understanding the nature of many biological processes such as gene expression. However, a significant challenge in continuum-mechanics-based modeling of DNA is to estimate its constitutive law, which follows from its interatomic bond-stiffness. Experiments and all-atom molecular dynamics (MD) simulations have suggested that the constitutive law is nonlinear and non-homogeneous (sequence-dependent) along the length of DNA. In this paper, we present an estimation method and a validation study using discrete-structure simulations. We consider a simple cantilever-rod with an artificially constructed, discrete lattice-structure which gives rise to a constitutive law. Large deformations are then simulated. An effective constitutive-law is estimated from these deformations using inverse methods. Finally, we test the estimated law by employing it in the continuum rod-model an...

  15. Containment Code Validation Matrix

    International Nuclear Information System (INIS)

    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

  16. 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.

  17. 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 LightWater Reactors (CASL). Fivemain 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.

  18. Validation and Variability

    DEFF Research Database (Denmark)

    Carusi, Annamaria

    2014-01-01

    as inter-subject variability. This need is simultaneously social and epistemic: social as systems biologists attempt to engage with the interests and concerns of clinicians and others in applied medical research; epistemic as they attempt to develop new strategies to cope with variability in the validation...... and experimentally inclined modellers on one hand, and attempts to forge new collaborations with medical scientists on the other. Apart from the scientific interest of the population of models approach for tackling variability, the trial also offers a good illustration of the epistemology of experiment......-facing modelling. I claim that it shows the extent to which experiment-facing modelling and validation require the establishment of criteria for comparing models and experiments that enable them to be linked together. These 'grounds of comparability' are the broad framework in which validation experiments...

  19. Rapid Robot Design Validation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Energid Technologies will create a comprehensive software infrastructure for rapid validation of robotic designs. The software will support push-button validation...

  20. Rapid Robot Design Validation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Energid Technologies will create a comprehensive software infrastructure for rapid validation of robot designs. The software will support push-button validation...

  1. 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.

  2. The validation of metaphors

    OpenAIRE

    Verhulst, F.

    2001-01-01

    In this paper we introduce models as metaphors for the description of reality We consider a number of case studies of contemporary research pollution of the NorthSea the ow eld of theWadden Sea drillstring dynamics the use of metaphors in psychoanalysis In all these cases validation of the results takes a very dierent form Also this validation is certainly not in agreement with the picture of scienti c research projected by textbook examples In the discussion we draw some conclusions on the u...

  3. 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 in apprentic......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...

  4. 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...

  5. The validation of metaphors

    NARCIS (Netherlands)

    Verhulst, F.

    2001-01-01

    In this paper we introduce models as metaphors for the description of reality We consider a number of case studies of contemporary research pollution of the NorthSea the ow eld of theWadden Sea drillstring dynamics the use of metaphors in psychoanalysis In all these cases validation of the resu

  6. Neurofilament ELISA validation.

    NARCIS (Netherlands)

    Petzold, A.; Altintas, A.; Andreoni, L.; Bartos, A.; Berthele, A.; Blankenstein, M.A.; Buee, L.; Castellazzi, M.; Cepok, S.; Comabella, M.; Constantinescu, C.S.; Deisenhammer, F.; Deniz, G.; Erten, G.; Espino, M.; Fainardi, E.; Franciotta, D.; Freedman, M.S.; Giedraitis, V.; Gilhus, N.E.; Giovannoni, G.; Glabinski, A.; Grieb, P.; Hartung, H.P.; Hemmer, B.; Herukka, S.K.; Hintzen, R.; Ingelsson, M.; Jackson, S.; Jacobsen, S.; Jafari, N.; Jalosinski, M.; Jarius, S.; Kapaki, E.; Kieseier, B.C.; Koel-Simmelink, M.J.; Kornhuber, J.; Kuhle, J.; Kurzepa, J.; Lalive, P.H.; Lannfelt, L.; Lehmensiek, V.; Lewczuk, P.; Livrea, P.; Marnetto, F.; Martino, D.; Menge, T.; Norgren, N.; Papuc, E.; Paraskevas, G.P.; Pirttila, T.; Rajda, C.; Rejdak, K.; Ricny, J.; Ripova, D.; Rosengren, L.; Ruggieri, M.; Schraen, S.; Shaw, G.; Sindic, C.; Siva, A.; Stigbrand, T.; Stonebridge, I.; Topcular, B.; Trojano, M.; Tumani, H.; Twaalfhoven, H.A.; Vecsei, L.; Pesch, V. Van; Stichele, H. van der; Vedeler, C.; Verbeek, M.M.; Villar, L.M.; Weissert, R.; Wildemann, B.; Yang, C.; Yao, K.; Teunissen, C.E.

    2010-01-01

    BACKGROUND: Neurofilament proteins (Nf) are highly specific biomarkers for neuronal death and axonal degeneration. As these markers become more widely used, an inter-laboratory validation study is required to identify assay criteria for high quality performance. METHODS: The UmanDiagnostics NF-light

  7. 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…

  8. 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 Eu

  9. 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....

  10. 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.

  11. 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.

  12. 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

  13. Validity of the Decisional Process Inventory.

    Science.gov (United States)

    Marco, Cynthia D.; Hartung, Paul J.; Newman, Isadore; Parr, Patricia

    2003-01-01

    The Gestalt-based Decisional Process Inventory and measures of career indecision and vocational identity were completed by 201 subjects. Results supported the inventory's ability to differentiate by career choice states. Concurrent validity was supported, but confirmatory factor analysis did not support the factor structure regarding measurement…

  14. Characterization of the residual structure in the unfolded state of the Delta 131 Delta fragment of staphylococcal nuclease

    DEFF Research Database (Denmark)

    Francis, C. J.; Lindorff-Larsen, Kresten; Best, R. B.;

    2006-01-01

    The determination of the conformational preferences in unfolded states of proteins constitutes an important challenge in structural biology. We use inter-residue distances estimated from site-directed spin-labeling NMR experimental measurements as ensemble-averaged restraints in all-atom molecula...

  15. NMR structure improvement: A structural bioinformatics & visualization approach

    Science.gov (United States)

    Block, Jeremy N.

    The overall goal of this project is to enhance the physical accuracy of individual models in macromolecular NMR (Nuclear Magnetic Resonance) structures and the realism of variation within NMR ensembles of models, while improving agreement with the experimental data. A secondary overall goal is to combine synergistically the best aspects of NMR and crystallographic methodologies to better illuminate the underlying joint molecular reality. This is accomplished by using the powerful method of all-atom contact analysis (describing detailed sterics between atoms, including hydrogens); new graphical representations and interactive tools in 3D and virtual reality; and structural bioinformatics approaches to the expanded and enhanced data now available. The resulting better descriptions of macromolecular structure and its dynamic variation enhances the effectiveness of the many biomedical applications that depend on detailed molecular structure, such as mutational analysis, homology modeling, molecular simulations, protein design, and drug design.

  16. Self-Validating Thermocouple

    Science.gov (United States)

    Perotti, Jose M. (Inventor); Mata, Carlos T. (Inventor); Santiago, Josephine B. (Inventor); Vokrot, Peter (Inventor); Zavala, Carlos E. (Inventor); Burns, Bradley M. (Inventor)

    2010-01-01

    Self-Validating Thermocouple (SVT) Systems capable of detecting sensor probe open circuits, short circuits, and unnoticeable faults such as a probe debonding and probe degradation are useful in the measurement of temperatures. SVT Systems provide such capabilities by incorporating a heating or excitation element into the measuring junction of the thermocouple. By heating the measuring junction and observing the decay time for the detected DC voltage signal, it is possible to indicate whether the thermocouple is bonded or debonded. A change in the thermal transfer function of the thermocouple system causes a change in the rise and decay times of the thermocouple output. Incorporation of the excitation element does not interfere with normal thermocouple operation, thus further allowing traditional validation procedures as well.

  17. CIPS Validation Data Plan

    Energy Technology Data Exchange (ETDEWEB)

    Nam Dinh

    2012-03-01

    This report documents analysis, findings and recommendations resulted from a task 'CIPS Validation Data Plan (VDP)' formulated as an POR4 activity in the CASL VUQ Focus Area (FA), to develop a Validation Data Plan (VDP) for Crud-Induced Power Shift (CIPS) challenge problem, and provide guidance for the CIPS VDP implementation. The main reason and motivation for this task to be carried at this time in the VUQ FA is to bring together (i) knowledge of modern view and capability in VUQ, (ii) knowledge of physical processes that govern the CIPS, and (iii) knowledge of codes, models, and data available, used, potentially accessible, and/or being developed in CASL for CIPS prediction, to devise a practical VDP that effectively supports the CASL's mission in CIPS applications.

  18. Validating MEDIQUAL Constructs

    Science.gov (United States)

    Lee, Sang-Gun; Min, Jae H.

    In this paper, we validate MEDIQUAL constructs through the different media users in help desk service. In previous research, only two end-users' constructs were used: assurance and responsiveness. In this paper, we extend MEDIQUAL constructs to include reliability, empathy, assurance, tangibles, and responsiveness, which are based on the SERVQUAL theory. The results suggest that: 1) five MEDIQUAL constructs are validated through the factor analysis. That is, importance of the constructs have relatively high correlations between measures of the same construct using different methods and low correlations between measures of the constructs that are expected to differ; and 2) five MEDIQUAL constructs are statistically significant on media users' satisfaction in help desk service by regression analysis.

  19. Validation and verification

    Institute of Scientific and Technical Information of China (English)

    J. Manickam

    2007-01-01

    @@ The challenge of developing a reliable predictive code with complicated scientific models, includes a process of verification and validation. The process of simulating a physics phenomenon generally includes:1. identifying the key features of the underlying physics;2. determining a suitable model set of equations;3. writing a computer code, which can solve the set of equations, and4. running the code and comparing the results with experimental data.

  20. Validating Animal Models

    OpenAIRE

    Nina Atanasova

    2015-01-01

    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 ex...

  1. Novel computational methodologies for structural modeling of spacious ligand binding sites of G-protein-coupled receptors: development and application to human leukotriene B4 receptor.

    Science.gov (United States)

    Ishino, Yoko; Harada, Takanori

    2012-01-01

    This paper describes a novel method to predict the activated structures of G-protein-coupled receptors (GPCRs) with high accuracy, while aiming for the use of the predicted 3D structures in in silico virtual screening in the future. We propose a new method for modeling GPCR thermal fluctuations, where conformation changes of the proteins are modeled by combining fluctuations on multiple time scales. The core idea of the method is that a molecular dynamics simulation is used to calculate average 3D coordinates of all atoms of a GPCR protein against heat fluctuation on the picosecond or nanosecond time scale, and then evolutionary computation including receptor-ligand docking simulations functions to determine the rotation angle of each helix of a GPCR protein as a movement on a longer time scale. The method was validated using human leukotriene B4 receptor BLT1 as a sample GPCR. Our study demonstrated that the proposed method was able to derive the appropriate 3D structure of the active-state GPCR which docks with its agonists.

  2. The Structure of a Melittin-Stabilized Pore

    OpenAIRE

    Leveritt, John M.; Pino-Angeles, Almudena; Lazaridis, Themis

    2015-01-01

    Melittin has been reported to form toroidal pores under certain conditions, but the atomic-resolution structure of these pores is unknown. A 9-μs all-atom molecular-dynamics simulation starting from a closely packed transmembrane melittin tetramer in DMPC shows formation of a toroidal pore after 1 μs. The pore remains stable with a roughly constant radius for the rest of the simulation. Surprisingly, one or two melittin monomers frequently transition between transmembrane and surface states. ...

  3. 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.

  4. 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.

  5. 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 independe

  6. Measuring Long-Distance Romantic Relationships: A Validity Study

    Science.gov (United States)

    Pistole, M. Carole; Roberts, Amber

    2011-01-01

    This study investigated aspects of construct validity for the scores of a new long-distance romantic relationship measure. A single-factor structure of the long-distance romantic relationship index emerged, with convergent and discriminant evidence of external validity, high internal consistency reliability, and applied utility of the scores.…

  7. Validation of the Chinese Expanded Euthanasia Attitude Scale

    Science.gov (United States)

    Chong, Alice Ming-Lin; Fok, Shiu-Yeu

    2013-01-01

    This article reports the validation of the Chinese version of an expanded 31-item Euthanasia Attitude Scale. A 4-stage validation process included a pilot survey of 119 college students and a randomized household survey with 618 adults in Hong Kong. Confirmatory factor analysis confirmed a 4-factor structure of the scale, which can therefore be…

  8. Semantic Identification: Balancing between Complexity and Validity

    Directory of Open Access Journals (Sweden)

    Falelakis M

    2006-01-01

    Full Text Available An efficient scheme for identifying semantic entities within data sets such as multimedia documents, scenes, signals, and so forth, is proposed in this work. Expression of semantic entities in terms of syntactic properties is modelled with appropriately defined finite automata, which also model the identification procedure. Based on the structure and properties of these automata, formal definitions of attained validity and certainty and also required complexity are defined as metrics of identification efficiency. The main contribution of the paper relies on organizing the identification and search procedure in a way that maximizes its validity for bounded complexity budgets and reversely minimizes computational complexity for a given required validity threshold. The associated optimization problem is solved by using dynamic programming. Finally, a set of experiments provides insight to the introduced theoretical framework.

  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. Sensitivity validation technique for sequential kriging metamodel

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Seung Kyun; Lee, Jin Min; Lee, Tae Hee [Hanyang Univ., Seoul (Korea, Republic of)

    2012-08-15

    Metamodels have been developed with a variety of design optimization techniques in the field of structural engineering over the last decade because they are efficient, show excellent prediction performance, and provide easy interconnections into design frameworks. To construct a metamodel, a sequential procedure involving steps such as the design of experiments, metamodeling techniques, and validation techniques is performed. Because validation techniques can measure the accuracy of the metamodel, the number of presampled points for an accurate kriging metamodel is decided by the validation technique in the sequential kriging metamodel. Because the interpolation model such as the kriging metamodel based on computer experiments passes through responses at presampled points, additional analyses or reconstructions of the meta models are required to measure the accuracy of the meta model if existing validation techniques are applied. In this study, we suggest a sensitivity validation that does not require additional analyses or reconstructions of the meta models. Fourteen two dimensional mathematical problems and an engineering problem are illustrated to show the feasibility of the suggested method.

  11. Measuring avoidance of pain : validation of the Acceptance and Action Questionnaire II-pain version

    NARCIS (Netherlands)

    Reneman, Michiel F.; Kleen, Marco; Trompetter, Hester R.; Schiphorst Preuper, Henrica R.; Koeke, Albere; van Baalen, Bianca; Schreurs, Karlein M. G.

    2014-01-01

    Psychometric research on widely used questionnaires aimed at measuring experiential avoidance of chronic pain has led to inconclusive results. To test the structural validity, internal consistency, and construct validity of a recently developed short questionnaire: the Acceptance and Action Question

  12. Model Validation in Ontology Based Transformations

    Directory of Open Access Journals (Sweden)

    Jesús M. Almendros-Jiménez

    2012-10-01

    Full Text Available Model Driven Engineering (MDE is an emerging approach of software engineering. MDE emphasizes the construction of models from which the implementation should be derived by applying model transformations. The Ontology Definition Meta-model (ODM has been proposed as a profile for UML models of the Web Ontology Language (OWL. In this context, transformations of UML models can be mapped into ODM/OWL transformations. On the other hand, model validation is a crucial task in model transformation. Meta-modeling permits to give a syntactic structure to source and target models. However, semantic requirements have to be imposed on source and target models. A given transformation will be sound when source and target models fulfill the syntactic and semantic requirements. In this paper, we present an approach for model validation in ODM based transformations. Adopting a logic programming based transformational approach we will show how it is possible to transform and validate models. Properties to be validated range from structural and semantic requirements of models (pre and post conditions to properties of the transformation (invariants. The approach has been applied to a well-known example of model transformation: the Entity-Relationship (ER to Relational Model (RM transformation.

  13. Convergent Validity of the PUTS

    Directory of Open Access Journals (Sweden)

    Valerie Cathérine Brandt

    2016-04-01

    Full Text Available Premonitory urges are a cardinal feature in Gilles de la Tourette syndrome. Severity of premonitory urges can be assessed with the Premonitory Urge for Tic Disorders Scale (PUTS. However, convergent validity of the measure has been difficult to assess due to the lack of other urge measures.We investigated the relationship between average real-time urge intensity assessed by an in-house developed real-time urge monitor, measuring urge intensity continuously for 5mins on a visual analogue scale, and general urge intensity assessed by the PUTS in 22 adult Tourette patients (mean age 29.8+/- 10.3; 19 male. Additionally, underlying factors of premonitory urges assessed by the PUTS were investigated in the adult sample using factor analysis and were replicated in 40 children and adolescents diagnosed with Tourette syndrome (mean age 12.05 +/- 2.83 SD, 31 male.Cronbach’s alpha for the PUTS10 was acceptable (α = .79 in the adult sample. Convergent validity between average real-time urge intensity scores (as assessed with the real-time urge monitor and the 10-item version of the PUTS (r = .64 and the 9-item version of the PUTS (r = .66 was good. A factor analysis including the 10 items of the PUTS and average real-time urge intensity scores revealed three factors. One factor included the average real-time urge intensity score and appeared to measure urge intensity, while the other two factors can be assumed to reflect the (sensory quality of urges and subjective control, respectively. The factor structure of the 10 PUTS items alone was replicated in a sample of children and adolescents.The results indicate that convergent validity between the PUTS and the real-time urge assessment monitor is good. Furthermore, the results suggest that the PUTS might assess more than one dimension of urges and it may be worthwhile developing different sub-scales of the PUTS assessing premonitory urges in terms of intensity and quality, as well as subjectively

  14. Validation of EMP bounds

    Energy Technology Data Exchange (ETDEWEB)

    Warne, L.K.; Merewether, K.O.; Chen, K.C.; Jorgenson, R.E.; Morris, M.E.; Solberg, J.E.; Lewis, J.G. [Sandia National Labs., Albuquerque, NM (United States); Derr, W. [Derr Enterprises, Albuquerque, NM (United States)

    1996-07-01

    Test data on canonical weapon-like fixtures are used to validate previously developed analytical bounding results. The test fixtures were constructed to simulate (but be slightly worse than) weapon ports of entry but have known geometries (and electrical points of contact). The exterior of the test fixtures exhibited exterior resonant enhancement of the incident fields at the ports of entry with magnitudes equal to those of weapon geometries. The interior consisted of loaded transmission lines adjusted to maximize received energy or voltage but incorporating practical weapon geometrical constraints. New analytical results are also presented for bounding the energies associated with multiple bolt joints and for bounding the exterior resonant enhancement of the exciting fields.

  15. Validation of Rheological Models of Typical Structures : an Attempt to Work Out an Insurance-Quality Procedure Validation des modèles rhéologiques sur ouvrages types : une tentative de démarche d'assurance-qualité

    Directory of Open Access Journals (Sweden)

    Meimon Y.

    2006-11-01

    Full Text Available For four years now, a validation of models for typical structuresgroup has been constituted inside the GRECO group on Rheology of Geomaterialssponsored by CNRS (French National Research Council. It has been working on the development of a methodology for validating rheological models of geomaterials. The aim was to reduce the gap between the theory and the practice of geomechanical computing. In a first step, the group work has been applied to shallow fondations. A complete validation process, which can be understood as an insurance-quality procedure, has been worked out, ranging from validation on the basis of homogeneous laboratory tests to validation based on boundary problems. Partial computerization of validation has been achieved with the help of a suitable software environment. A databank of laboratory and centrifuge tests has been created. An attempt has been made to define qualification criteria for models. Numerous rheological models have been applied, including some relatively sophisticated ones. This work has reached the point where the generalization of the procedure can been foreseen within the wider setting of the validation of geomechanical programs. Les travaux de validation Durant quatre ans (1986-1989, le groupe Validation des Modèles sur Ouvrages Typesdu GRECO CNRS Rhéologie des Géomatériaux , s'est efforcé de développer une méthodologie de validation des modèles rhéologiques de géomatériaux dans le but de réduire le décalage entre théorie et pratique des calculs en géomécanique, en appuyant son travail sur l'ouvrage type fondation superficielleet sur une collaboration étroite entre des équipes universitaires et des centres techniques et industriels. Les principaux travaux du groupe, constitué, d'une part de laboratoires universitaires français ou européen (École Centrale de Lyon (ECL, École Centrale de Paris (ECP, École Nationale des Travaux Publics de l'État (ENTPE, Institut de Mécanique de

  16. Construct Validity Of The Career Resilience Questionnaire

    OpenAIRE

    De Bruin, Gideon P.; Charlene C. Lew

    2002-01-01

    The construct validity of the Career Resilience Questionnaire (Fourie & VanVuuren, 1998) was investigated by means of an oblique multiple groups factor analysis.The highest factor structure coefficients of several of the items did not coincide with the respective factors that the items were postulated to measure. In addition, the correlations among the factors cast doubt on the independence of some of the constructs. Opsomming Die konstrukgeldigheid van die CareerResilience Questionnaire (Fo...

  17. Unconstrained Structure Formation in Coarse-Grained Protein Simulations

    Science.gov (United States)

    Bereau, Tristan

    The ability of proteins to fold into well-defined structures forms the basis of a wide variety of biochemical functions in and out of the cell membrane. Many of these processes, however, operate at time- and length-scales that are currently unattainable by all-atom computer simulations. To cope with this difficulty, increasingly more accurate and sophisticated coarse-grained models are currently being developed. In the present thesis, we introduce a solvent-free coarse-grained model for proteins. Proteins are modeled by four beads per amino acid, providing enough backbone resolution to allow for accurate sampling of local conformations. It relies on simple interactions that emphasize structure, such as hydrogen bonds and hydrophobicity. Realistic alpha/beta content is achieved by including an effective nearest-neighbor dipolar interaction. Parameters are tuned to reproduce both local conformations and tertiary structures. By studying both helical and extended conformations we make sure the force field is not biased towards any particular secondary structure. Without any further adjustments or bias a realistic oligopeptide aggregation scenario is observed. The model is subsequently applied to various biophysical problems: (i) kinetics of folding of two model peptides, (ii) large-scale amyloid-beta oligomerization, and (iii) protein folding cooperativity. The last topic---defined by the nature of the finite-size thermodynamic transition exhibited upon folding---was investigated from a microcanonical perspective: the accurate evaluation of the density of states can unambiguously characterize the nature of the transition, unlike its corresponding canonical analysis. Extending the results of lattice simulations and theoretical models, we find that it is the interplay between secondary structure and the loss of non-native tertiary contacts which determines the nature of the transition. Finally, we combine the peptide model with a high-resolution, solvent-free, lipid

  18. Stellar opacity validations

    Science.gov (United States)

    Le Pennec, M.; Turck-Chièze, S.; Ribeyre, X.; Ducret, J. E.

    2014-12-01

    This paper focuses on the radiative transfer in stars where opacities seem to raise problems : β-Cephei and solar-type stars. We first concentrate on the iron bump (log T = 5.25), responsible for β-Cephei pulsations through the κ-mechanism. To discriminate between the different opacity calculations used to predict their oscillations, new well-qualified calculations are used and compared to OP calculations. In parallel with this theoretical work, an experiment has been conducted at LULI 2000 in 2011 on iron and nickel. We show that this extended study pushes for the revision of the tables in the conditions corresponding to the iron bump region, at least for nickel. We will then deal with the Sun case for which we are preparing an opacity experiment on a high-energy laser, in some conditions of the radiative zone (T = [2 - 15 ×10^{6} K] and ρ = [0.2 - 150 g/cm^{3}]). To reach these high temperatures and densities at LTE and validate or not plasma effects and line widths, we are exploring an approach called the Double Ablation Front, driven by plasma radiative effects. The 1D simulations performed with the code CHIC show that with this technique, we could reach conditions equivalent to the conditions of half of the solar radiative zone.

  19. Validation scheme for diagnostic tests

    International Nuclear Information System (INIS)

    The aim was to develop a scheme for the validation of assays developed in the research laboratory for the successful transfer and implementation in the diagnostic laboratory. Although logistically, temporally and economically challenging, proper validation minimizes the chance of failure and increases the possibility of successful transfer and implementation in the diagnostic laboratory. A properly validated assay, which includes good design, good quality control and good documentation, reduces the chances of liability and increases confidence in the assay both nationally and internationally

  20. SHIELD verification and validation report

    Energy Technology Data Exchange (ETDEWEB)

    Boman, C.

    1992-02-01

    This document outlines the verification and validation effort for the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system code. Along with its predecessors, SHIELD has been in use at the Savannah River Site (SRS) for more than ten years. During this time the code has been extensively tested and a variety of validation documents have been issued. The primary function of this report is to specify the features and capabilities for which SHIELD is to be considered validated, and to reference the documents that establish the validation.

  1. Experimental validation of UTDefect

    International Nuclear Information System (INIS)

    This study reports on conducted experiments and computer simulations of ultrasonic nondestructive testing (NDT). Experiments and simulations are compared with the purpose of validating the simulation program UTDefect. UTDefect simulates ultrasonic NDT of cracks and some other defects in isotropic and homogeneous materials. Simulations for the detection of surface breaking cracks are compared with experiments in pulse-echo mode on surface breaking cracks in carbon steel plates. The echo dynamics are plotted and compared with the simulations. The experiments are performed on a plate with thickness 36 mm and the crack depths are 7.2 mm and 18 mm. L- and T-probes with frequency 1, 2 and 4 MHz and angels 45, 60 and 70 deg are used. In most cases the probe and the crack is on opposite sides of the plate, but in some cases they are on the same side. Several cracks are scanned from two directions. In total 53 experiments are reported for 33 different combinations. Generally the simulations agree well with the experiments and UTDefect is shown to be able to, within certain limits, perform simulations that are close to experiments. It may be concluded that: For corner echoes the eight 45 deg cases and the eight 60 deg cases show good agreement between experiments and UTDefect, especially for the 7.2 mm crack. The amplitudes differ more for some cases where the defect is close to the probe and for the corner of the 18 mm crack. For the two 70 deg cases there are too few experimental values to compare the curve shapes, but the amplitudes do not differ too much. The tip diffraction echoes also agree well in general. For some cases, where the defect is close to the probe, the amplitudes differ more than 10-15 dB, but for all but two cases the difference in amplitude is less than 7 dB. 6 refs

  2. The measurement of instrumental ADL: content validity and construct validity

    DEFF Research Database (Denmark)

    Avlund, K; Schultz-Larsen, K; Kreiner, S

    1993-01-01

    A new measure of Instrumental Activities of Daily Living (IADL), which is able to discriminate among the large group of elderly who do not depend on help, was tested for content validity and construct validity. Most assessments of functional ability include Physical ADL (PADL) and Instrumental ADL....... The measure of Instrumental ADL included 30 activities in relation to tiredness and reduced speed. Construct validity was tested by the Rasch model for item analysis; internal validity was specifically addressed by assessing the homogeneity of items under different conditions. The Rasch item analysis of IADL...... showed that 14 items could be combined into two qualitatively different additive scales. The IADL-measure complies with demands for content validity, distinguishes between what the elderly actually do, and what they are capable of doing, and is a good discriminator among the group of elderly persons who...

  3. Developing a validation for environmental sustainability

    Science.gov (United States)

    Adewale, Bamgbade Jibril; Mohammed, Kamaruddeen Ahmed; Nawi, Mohd Nasrun Mohd; Aziz, Zulkifli

    2016-08-01

    One of the agendas for addressing environmental protection in construction is to reduce impacts and make the construction activities more sustainable. This important consideration has generated several research interests within the construction industry, especially considering the construction damaging effects on the ecosystem, such as various forms of environmental pollution, resource depletion and biodiversity loss on a global scale. Using Partial Least Squares-Structural Equation Modeling technique, this study validates environmental sustainability (ES) construct in the context of large construction firms in Malaysia. A cross-sectional survey was carried out where data was collected from Malaysian large construction firms using a structured questionnaire. Results of this study revealed that business innovativeness and new technology are important in determining environmental sustainability (ES) of the Malaysian construction firms. It also established an adequate level of internal consistency reliability, convergent validity and discriminant validity for each of this study's constructs. And based on this result, it could be suggested that the indicators for organisational innovativeness dimensions (business innovativeness and new technology) are useful to measure these constructs in order to study construction firms' tendency to adopt environmental sustainability (ES) in their project execution.

  4. Ecological reality and model validation

    Energy Technology Data Exchange (ETDEWEB)

    Cale, Jr, W. G.; Shugart, H. H.

    1980-01-01

    Definitions of model realism and model validation are developed. Ecological and mathematical arguments are then presented to show that model equations which explicitly treat ecosystem processes can be systematically improved such that greater realism is attained and the condition of validity is approached. Several examples are presented.

  5. Model validation, science and application

    NARCIS (Netherlands)

    Builtjes, P.J.H.; Flossmann, A.

    1998-01-01

    Over the last years there is a growing interest to try to establish a proper validation of atmospheric chemistry-transport (ATC) models. Model validation deals with the comparison of model results with experimental data, and in this way adresses both model uncertainty and uncertainty in, and adequac

  6. Compiler validates units and dimensions

    Science.gov (United States)

    Levine, F. E.

    1980-01-01

    Software added to compiler for automated test system for Space Shuttle decreases computer run errors by providing offline validation of engineering units used system command programs. Validation procedures are general, though originally written for GOAL, a free-form language that accepts "English-like" statements, and may be adapted to other programming languages.

  7. Cleaning Validation of Fermentation Tanks

    DEFF Research Database (Denmark)

    Salo, Satu; Friis, Alan; Wirtanen, Gun

    2008-01-01

    Reliable test methods for checking cleanliness are needed to evaluate and validate the cleaning process of fermentation tanks. Pilot scale tanks were used to test the applicability of various methods for this purpose. The methods found to be suitable for validation of the clenlinees were visula...

  8. Cultural Validation of the Maslach Burnout Inventory for Korean Students

    Science.gov (United States)

    Shin, Hyojung; Puig, Ana; Lee, Jayoung; Lee, Ji Hee; Lee, Sang Min

    2011-01-01

    The purpose of this study was to examine the factorial validity of the MBI-SS in Korean students. Specifically, we investigated whether the original three-factor structure of the MBI-SS was appropriate for use with Korean students. In addition, by running multi-group structural equation model analyses with factorial invariance tests simultaneously…

  9. Distributed Trust Management for Validating SLA Choreographies

    Science.gov (United States)

    Haq, Irfan Ul; Alnemr, Rehab; Paschke, Adrian; Schikuta, Erich; Boley, Harold; Meinel, Christoph

    For business workflow automation in a service-enriched environment such as a grid or a cloud, services scattered across heterogeneous Virtual Organizations (VOs) can be aggregated in a producer-consumer manner, building hierarchical structures of added value. In order to preserve the supply chain, the Service Level Agreements (SLAs) corresponding to the underlying choreography of services should also be incrementally aggregated. This cross-VO hierarchical SLA aggregation requires validation, for which a distributed trust system becomes a prerequisite. Elaborating our previous work on rule-based SLA validation, we propose a hybrid distributed trust model. This new model is based on Public Key Infrastructure (PKI) and reputation-based trust systems. It helps preventing SLA violations by identifying violation-prone services at service selection stage and actively contributes in breach management at the time of penalty enforcement.

  10. Development and validation of the Cancer Exercise Stereotypes Scale.

    Science.gov (United States)

    Falzon, Charlène; Sabiston, Catherine; Bergamaschi, Alessandro; Corrion, Karine; Chalabaev, Aïna; D'Arripe-Longueville, Fabienne

    2014-01-01

    The objective of this study was to develop and validate a French-language questionnaire measuring stereotypes related to exercise in cancer patients: The Cancer Exercise Stereotypes Scale (CESS). Four successive steps were carried out with 806 participants. First, a preliminary version was developed on the basis of the relevant literature and qualitative interviews. A test of clarity then led to the reformulation of six of the 30 items. Second, based on the modification indices of the first confirmatory factorial analysis, 11 of the 30 initial items were deleted. A new factorial structure analysis showed a good fit and validated a 19-item instrument with five subscales. Third, the stability of the instrument was tested over time. Last, tests of construct validity were conducted to examine convergent validity and discriminant validity. The French-language CESS appears to have good psychometric qualities and can be used to test theoretical tenets and inform intervention strategies on ways to foster exercise in cancer patients.

  11. The Particle Cleanliness Validation System

    Energy Technology Data Exchange (ETDEWEB)

    Stowers, I.F.; Ravizza, D.L.

    2001-12-21

    The Particle Cleanliness Validation System (PCVS) is a combination of a surface particle collection tool and a microscope based data, reduction system for determining the particle cleanliness of mechanical and optical surfaces at LLNL. Livermore is currently constructing the National Ignition Facility (NIF), a large 192 beam laser system for studying fusion physics. The laser is entirely enclosed. in aluminum and stainless steel vessels containing several environments; air, argon, and vacuum. It contains uncoated optics as well as hard dielectric coated and softer solgel coated optics which are, to varying degrees, sensitive to opaque particles, translucent particles, and molecular contamination. To quantify the particulate matter on structural surfaces during vendor cleaning and installation, a novel instrument has been developed to-both collect surface particles and to quantify the number and size distribution of these particles. The particles are collected on membrane filter paper which is ''swiped'' on a test surface for a proscribed distance to collect sufficient particles to significantly exceed the cleanliness of the filter paper. The swipe paper is then placed into a cassette for protection from further. contamination and transported to a microscope with x-y motorized stage and image analysis software, The surface of the swipe paper is scanned to determine both the background particle level of the paper, the cassette cover, and the portion of the paper which made contact with the test surface. The cumulative size distribution of the collected particles are displayed in size bins from 5 to 200 {micro}m. The quantity of particles exceeding 5 {micro}m is used to compute the IEST-STD-1246D cleanliness Level. Eight image analysis microscopes have been constructed for use with several dozen particle collection tools. About 30,000 cleanliness measurements have been taken to assure the clean construction and operation of the NIF laser system.

  12. Brief Report: The Identity Style Inventory (ISI-3) and the Utrecht-Management of Identity Commitments Scale (U-MICS)--Factor Structure, Reliability, and Convergent Validity in French-Speaking University Students

    Science.gov (United States)

    Zimmermann, Gregoire; Mahaim, Elodie Biermann; Mantzouranis, Gregory; Genoud, Philippe A.; Crocetti, Elisabetta

    2012-01-01

    The purpose of this study was to evaluate the factor structure and the reliability of the French versions of the Identity Style Inventory (ISI-3) and the Utrecht-Management of Identity Commitments Scale (U-MICS) in a sample of college students (N = 457, 18-25 years old). Confirmatory factor analyses confirmed the hypothesized three-factor solution…

  13. Empirical validation of the team work engagement construct

    OpenAIRE

    Costa, P.; Passos, A.; Bakker, A.

    2014-01-01

    This article presents an empirical validation of the construct of team work engagement. Two different samples were used to test the hypotheses. Results from convergent and discriminant validity are presented as well as confirmatory factor analysis that explores the construct’s factor structure. Results support the idea that team- and individual-level work engagement are two different, yet related, constructs. However, data do not support the factorial invariance across levels: At the team lev...

  14. ALEGRA -- code validation: Experiments and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Chhabildas, L.C.; Konrad, C.H.; Mosher, D.A.; Reinhart, W.D; Duggins, B.D.; Rodeman, R.; Trucano, T.G.; Summers, R.M.; Peery, J.S.

    1998-03-16

    In this study, the authors are providing an experimental test bed for validating features of the ALEGRA code over a broad range of strain rates with overlapping diagnostics that encompass the multiple responses. A unique feature of the Arbitrary Lagrangian Eulerian Grid for Research Applications (ALEGRA) code is that it allows simultaneous computational treatment, within one code, of a wide range of strain-rates varying from hydrodynamic to structural conditions. This range encompasses strain rates characteristic of shock-wave propagation (10{sup 7}/s) and those characteristic of structural response (10{sup 2}/s). Most previous code validation experimental studies, however, have been restricted to simulating or investigating a single strain-rate regime. What is new and different in this investigation is that the authors have performed well-instrumented experiments which capture features relevant to both hydrodynamic and structural response in a single experiment. Aluminum was chosen for use in this study because it is a well characterized material--its EOS and constitutive material properties are well defined over a wide range of loading rates. The current experiments span strain rate regimes of over 10{sup 7}/s to less than 10{sup 2}/s in a single experiment. The input conditions are extremely well defined. Velocity interferometers are used to record the high strain-rate response, while low strain rate data were collected using strain gauges.

  15. Base Flow Model Validation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The innovation is the systematic "building-block" validation of CFD/turbulence models employing a GUI driven CFD code (RPFM) and existing as well as new data sets...

  16. Validation of Plant Virus Detection

    NARCIS (Netherlands)

    Schadewijk, van A.R.; Meekes, E.T.M.; Verbeek, M.; Verhoeven, J.Th.J.

    2011-01-01

    Validation of test methods is required for laboratories seeking ISO 17025 accreditation. Recently developed manuals help choosing relevant performance characteristics to be studied for qualitative tests common in plant virus detection. For routine testing in certification schemes additional informat

  17. Assessment of juveniles testimonies’ validity

    OpenAIRE

    Dozortseva E.G.; Afanasyeva A.G.

    2015-01-01

    The article presents a review of the English language publications concerning the history and the current state of differential psychological assessment of validity of testimonies produced by child and adolescent victims of crimes. The topicality of the problem in Russia is high due to the tendency of Russian specialists to use methodical means and instruments developed abroad in this sphere for forensic assessments of witness testimony veracity. A system of Statement Validity Analysis (SVA) ...

  18. Automatic validation of numerical solutions

    DEFF Research Database (Denmark)

    Stauning, Ole

    1997-01-01

    This thesis is concerned with ``Automatic Validation of Numerical Solutions''. The basic theory of interval analysis and self-validating methods is introduced. The mean value enclosure is applied to discrete mappings for obtaining narrow enclosures of the iterates when applying these mappings...... of an integral operator and uses interval Bernstein polynomials for enclosing the solution. Two numerical examples are given, using two orders of approximation and using different numbers of discretization points....

  19. White Bear Suppression Inventory: Structure, Reliability and Validity of the Chinese Version%思维压抑量表:中文版的结构、信度及效度

    Institute of Scientific and Technical Information of China (English)

    Marcus A.Rodriguez; 贾珂; 钱铭怡

    2012-01-01

    Objective: To test the reliability and validity of the Chinese version of White Bear Suppression Inventory (WBSI) among a Chinese student sample. Methods: A convenience sample of 125 college students completed the WBSI and Beck Depression Inventory; a randomly selected subsample of 33 students participated in the retest in 4 weeks. A second sample of 383 college students completed the WBSI, Penn State Worry Questionnaire, Impact of Event Scale-Revised, and Thought-Action Fusion Scale. A third sample of 334 college students completed the WBSI, State-Trait Anxiety Inventory, Padua Inventory, and a measure of Chinese superstition. Results: EFA results revealed 3 factors (intrusive thoughts, thought suppression and self-distraction), which accounted for 52.4% of the total variance. CFA results provided support for a 3-factor model (x2/d?3.45, CFI=0.91, TU=0.89, RMSEA=0.07, SRMR=0.06). Internal consistency and test-retest coefficients for the WBSI梩otal were 0.87 and 0.59 respectively. WBSI-total scores were significantly higher for female participants. Criterion-related validity results revealed positive significant correlations between WBSI and depression (r=0.29), trait-anxiety (r=0.42), PTSD symptomology (r=0.42), OCD (0.30), and GAD (r=0.44). SEM results also provided support for a model wherein thought suppression mediates the relationship between superstition and obsessive-compulsive symptoms. Conclusion: The Chinese version of the WBSI is found to have good reliability and validity.%目的:在大学生群体中对思维压抑量表(White Bear Suppression Inventory,WBSI)进行修订并考察其信效度.方法:采用方便取样方法,对样本一的125名大学生施测WBSI及贝克抑郁问卷,以检验该量表的效度,并随机选取其中33名学生,在初测4周后进行了重测;对样本二的383名大学生施测WBSI、宾州忧虑问卷、事件影响量表-修订版及想法行为混淆量表.对样本三的334名大学生施测WBSI、帕多瓦量

  20. Validation metrics for turbulent plasma transport

    Science.gov (United States)

    Holland, C.

    2016-06-01

    Developing accurate models of plasma dynamics is essential for confident predictive modeling of current and future fusion devices. In modern computer science and engineering, formal verification and validation processes are used to assess model accuracy and establish confidence in the predictive capabilities of a given model. This paper provides an overview of the key guiding principles and best practices for the development of validation metrics, illustrated using examples from investigations of turbulent transport in magnetically confined plasmas. Particular emphasis is given to the importance of uncertainty quantification and its inclusion within the metrics, and the need for utilizing synthetic diagnostics to enable quantitatively meaningful comparisons between simulation and experiment. As a starting point, the structure of commonly used global transport model metrics and their limitations is reviewed. An alternate approach is then presented, which focuses upon comparisons of predicted local fluxes, fluctuations, and equilibrium gradients against observation. The utility of metrics based upon these comparisons is demonstrated by applying them to gyrokinetic predictions of turbulent transport in a variety of discharges performed on the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)], as part of a multi-year transport model validation activity.

  1. Cross-Validation of Levenson's Psychopathy Scale in a Sample of Federal Female Inmates

    Science.gov (United States)

    Brinkley, Chad A.; Diamond, Pamela M.; Magaletta, Philip R.; Heigel, Caron P.

    2008-01-01

    Levenson, Kiehl, and Fitzpatrick's Self-Report Psychopathy Scale (LSRPS) is evaluated to determine the factor structure and concurrent validity of the instrument among 430 federal female inmates. Confirmatory factor analysis fails to validate the expected 2-factor structure. Subsequent exploratory factor analysis reveals a 3-factor structure…

  2. ValidNESs: a database of validated leucine-rich nuclear export signals.

    Science.gov (United States)

    Fu, Szu-Chin; Huang, Hsuan-Cheng; Horton, Paul; Juan, Hsueh-Fen

    2013-01-01

    ValidNESs (http://validness.ym.edu.tw/) is a new database for experimentally validated leucine-rich nuclear export signal (NES)-containing proteins. The therapeutic potential of the chromosomal region maintenance 1 (CRM1)-mediated nuclear export pathway and disease relevance of its cargo proteins has gained recognition in recent years. Unfortunately, only about one-third of known CRM1 cargo proteins are accessible in a single database since the last compilation in 2003. CRM1 cargo proteins are often recognized by a classical NES (leucine-rich NES), but this signal is notoriously difficult to predict from sequence alone. Fortunately, a recently developed prediction method, NESsential, is able to identify good candidates in some cases, enabling valuable hints to be gained by in silico prediction, but until now it has not been available through a web interface. We present ValidNESs, an integrated, up-to-date database holding 221 NES-containing proteins, combined with a web interface to prediction by NESsential.

  3. Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides

    OpenAIRE

    Ulmschneider, Martin B.; Doux, Jacques P F; Killian, J. Antoinette; Smith, Jeremy C.; Ulmschneider, Jakob P.

    2010-01-01

    Partitioning properties of transmembrane (TM) polypeptide segments directly determine membrane protein folding, stability, and function, and their understanding is vital for rational design of membrane active peptides. However, direct determination of water-to-bilayer transfer of TM peptides has proved difficult. Experimentally, sufficiently hydrophobic peptides tend to aggregate, while atomistic computer simulations at physiological temperatures cannot yet reach the long time scales required...

  4. Validating LES for Jet Aeroacoustics

    Science.gov (United States)

    Bridges, James

    2011-01-01

    Engineers charged with making jet aircraft quieter have long dreamed of being able to see exactly how turbulent eddies produce sound and this dream is now coming true with the advent of large eddy simulation (LES). Two obvious challenges remain: validating the LES codes at the resolution required to see the fluid-acoustic coupling, and the interpretation of the massive datasets that result in having dreams come true. This paper primarily addresses the former, the use of advanced experimental techniques such as particle image velocimetry (PIV) and Raman and Rayleigh scattering, to validate the computer codes and procedures used to create LES solutions. It also addresses the latter problem in discussing what are relevant measures critical for aeroacoustics that should be used in validating LES codes. These new diagnostic techniques deliver measurements and flow statistics of increasing sophistication and capability, but what of their accuracy? And what are the measures to be used in validation? This paper argues that the issue of accuracy be addressed by cross-facility and cross-disciplinary examination of modern datasets along with increased reporting of internal quality checks in PIV analysis. Further, it is argued that the appropriate validation metrics for aeroacoustic applications are increasingly complicated statistics that have been shown in aeroacoustic theory to be critical to flow-generated sound.

  5. Independent validation of ultrasonic inspection

    International Nuclear Information System (INIS)

    As a part of its inspection strategy for the Sizewell-B PWR station, the Central Electricity Generating Board (in part now Nuclear Electric) decided that the ultrasonic inspection procedures for the incredibility of failure components would be subjected to independent confirmation of their adequacy. The incorporation of validation into a large-scale inspection strategy was unique at the time (1982), indeed remains so today. The CEGB's general philosophy is one of diversity, redundancy and validation. In order to carry out independent validation of the specific procedures and ultrasonic operators to be used during the manufacture and in-service inspection of the reactor pressure vessel and steam plant components, the Inspection Validation Centre (IVC) has operated as a contractor to Nuclear Electric with special arrangements in place to guarantee independence. The setting-up and early methods of operation of IVC are briefly reviewed, the most recent operational experience summarized and the technical significance of the validations to date discussed. (author). 1 fig

  6. Statistically validated networks in bipartite complex systems.

    Directory of Open Access Journals (Sweden)

    Michele Tumminello

    Full Text Available Many complex systems present an intrinsic bipartite structure where elements of one set link to elements of the second set. In these complex systems, such as the system of actors and movies, elements of one set are qualitatively different than elements of the other set. The properties of these complex systems are typically investigated by constructing and analyzing a projected network on one of the two sets (for example the actor network or the movie network. Complex systems are often very heterogeneous in the number of relationships that the elements of one set establish with the elements of the other set, and this heterogeneity makes it very difficult to discriminate links of the projected network that are just reflecting system's heterogeneity from links relevant to unveil the properties of the system. Here we introduce an unsupervised method to statistically validate each link of a projected network against a null hypothesis that takes into account system heterogeneity. We apply the method to a biological, an economic and a social complex system. The method we propose is able to detect network structures which are very informative about the organization and specialization of the investigated systems, and identifies those relationships between elements of the projected network that cannot be explained simply by system heterogeneity. We also show that our method applies to bipartite systems in which different relationships might have different qualitative nature, generating statistically validated networks in which such difference is preserved.

  7. Contextual Validity in Hybrid Logic

    DEFF Research Database (Denmark)

    Blackburn, Patrick Rowan; Jørgensen, Klaus Frovin

    2013-01-01

    Hybrid tense logic is an extension of Priorean tense logic in which it is possible to refer to times using special propositional sym- bols called nominals. Temporal indexicals are expressions such as now, yesterday, today, tomorrow and four days ago that have highly context- dependent...... interpretations. Moreover, such indexicals give rise to a special kind of validity—contextual validity—that interacts with ordinary logi- cal validity in interesting and often unexpected ways. In this paper we model these interactions by combining standard techniques from hybrid logic with insights from the work...... of Hans Kamp and David Kaplan. We introduce a simple proof rule, which we call the Kamp Rule, and first we show that it is all we need to take us from logical validities involving now to contextual validities involving now too. We then go on to show that this deductive bridge is strong enough to carry us...

  8. Static Validation of XSL Transformations

    DEFF Research Database (Denmark)

    Møller, Anders; Olesen, Mads Østerby; Schwartzbach, Michael Ignatieff

    2007-01-01

    no static guarantees that, under the assumption that the input is valid relative to the input schema, the output of the transformation is valid relative to the output schema. We present a validation technique for XSLT based on the XML graph formalism introduced in the static analysis of JWIG Web services...... and XACT XML transformations. Being able to provide static guarantees, we can detect a large class of errors in an XSLT stylesheet at the time it is written instead of later when it has been deployed, and thereby provide benefits similar to those of static type checkers for modern programming languages....... Our analysis takes a pragmatic approach that focuses its precision on the essential language features but still handles the entire XSLT language. We evaluate the analysis precision on a range of real stylesheets and demonstrate how it may be useful in practice....

  9. Key problems in validation of intelligent models

    Institute of Scientific and Technical Information of China (English)

    LIU Fei; MA Ping; YANG Ming; WANG Zi-cai

    2009-01-01

    To provide a realistic simulation environment for users, intelligent models have become key compo-nents in military simulations. After the analysis of modeling nature of intelligent models, the validation criteria for defining the validation points and validation metrics for measuring the agreements between human expertsand intelligent models were presented. Further, such methods as graphical comparison, feature analysis and face validation were discussed according to the characteristics of intelligent models. Based on the validation cri-teria, validation metrics and validation methods, the intelligent models can be effectively validated, which has been proved in current developed intelligent models.

  10. The global status of freshwater fish age validation studies and a prioritization framework for future research

    Science.gov (United States)

    Pope, Kevin L.; Hamel, Martin J.; Pegg, Mark A.; Spurgeon, Jonathan J.

    2016-01-01

    Age information derived from calcified structures is commonly used to estimate recruitment, growth, and mortality for fish populations. Validation of daily or annual marks on age structures is often assumed, presumably due to a lack of general knowledge concerning the status of age validation studies. Therefore, the current status of freshwater fish age validation studies was summarized to show where additional effort is needed, and increase the accessibility of validation studies to researchers. In total, 1351 original peer-reviewed articles were reviewed from freshwater systems that studied age in fish. Periodicity and age validation studies were found for 88 freshwater species comprising 21 fish families. The number of age validation studies has increased over the last 30 years following previous calls for more research; however, few species have validated structures spanning all life stages. In addition, few fishes of conservation concern have validated ageing structures. A prioritization framework, using a combination of eight characteristics, is offered to direct future age validation studies and close the validation information gap. Additional study, using the offered prioritization framework, and increased availability of published studies that incorporate uncertainty when presenting research results dealing with age information are needed.

  11. A further validation of the Minnesota Borderline Personality Disorder Scale.

    Science.gov (United States)

    Rojas, Elizabeth C; Cummings, Jenna R; Bornovalova, Marina A; Hopwood, Christopher J; Racine, Sarah E; Keel, Pamela K; Sisk, Cheryl L; Neale, Michael; Boker, Steven; Burt, S Alexandra; Klump, Kelly L

    2014-04-01

    Previous research indicates that borderline personality disorder (BPD) is well conceptualized as a dimensional construct that can be represented using normal personality traits. A previous study successfully developed and validated a BPD measure embedded within a normal trait measure, the Minnesota Borderline Personality Disorder Scale (MBPD). The current study performed a further validation of the MBPD by examining its convergent validity, external correlates, and heritability in a sample of 429 female twins. The MBPD correlated strongly with the Structured Clinical Interview for DSM-IV Axis II Personality Disorders (SCID-II) screener for BPD and moderately with external correlates. Moreover, the MBPD and SCID-II screener exhibited very similar patterns of external correlations. Additionally, results indicated that the genetic and environmental influences on MBPD overlap with the genetic and environmental influences on the SCID-II screener, which suggests that these scales are measuring the same construct. These data provide further evidence for the construct validity of the MBPD. PMID:24364505

  12. RELIABLE VALIDATION BASED ON OPTICAL FLOW VISUALIZATION FOR CFD SIMULATIONS

    Institute of Scientific and Technical Information of China (English)

    姜宗林

    2003-01-01

    A reliable validation based on the optical flow visualization for numerical simula-tions of complex flowfields is addressed in this paper. Several test cases, including two-dimensional,axisymmetric and three-dimensional flowfields, were presented to demonstrate the effectiveness of the validation and gain credibility of numerical solutions of complex flowfields. In the validation, imagesof these flowfields were constructed from numerical results based on the principle of the optical flowvisualization, and compared directly with experimental interferograms. Because both experimental and numerical results axe of identical physical representation, the agreement between them can be evaluatedeffectively by examining flow structures as well as checking discrepancies in density. The study shows that the reliable validation can be achieved by using the direct comparison between numerical and experiment results without any loss of accuracy in either of them.

  13. Development and validation of the coping with terror scale.

    Science.gov (United States)

    Stein, Nathan R; Schorr, Yonit; Litz, Brett T; King, Lynda A; King, Daniel W; Solomon, Zahava; Horesh, Danny

    2013-10-01

    Terrorism creates lingering anxiety about future attacks. In prior terror research, the conceptualization and measurement of coping behaviors were constrained by the use of existing coping scales that index reactions to daily hassles and demands. The authors created and validated the Coping with Terror Scale to fill the measurement gap. The authors emphasized content validity, leveraging the knowledge of terror experts and groups of Israelis. A multistep approach involved construct definition and item generation, trimming and refining the measure, exploring the factor structure underlying item responses, and garnering evidence for reliability and validity. The final scale comprised six factors that were generally consistent with the authors' original construct specifications. Scores on items linked to these factors demonstrate good reliability and validity. Future studies using the Coping with Terror Scale with other populations facing terrorist threats are needed to test its ability to predict resilience, functional impairment, and psychological distress.

  14. Development and validation of the coping with terror scale.

    Science.gov (United States)

    Stein, Nathan R; Schorr, Yonit; Litz, Brett T; King, Lynda A; King, Daniel W; Solomon, Zahava; Horesh, Danny

    2013-10-01

    Terrorism creates lingering anxiety about future attacks. In prior terror research, the conceptualization and measurement of coping behaviors were constrained by the use of existing coping scales that index reactions to daily hassles and demands. The authors created and validated the Coping with Terror Scale to fill the measurement gap. The authors emphasized content validity, leveraging the knowledge of terror experts and groups of Israelis. A multistep approach involved construct definition and item generation, trimming and refining the measure, exploring the factor structure underlying item responses, and garnering evidence for reliability and validity. The final scale comprised six factors that were generally consistent with the authors' original construct specifications. Scores on items linked to these factors demonstrate good reliability and validity. Future studies using the Coping with Terror Scale with other populations facing terrorist threats are needed to test its ability to predict resilience, functional impairment, and psychological distress. PMID:21676998

  15. Pyroshock data analysis-The GCPP validation procedure

    Science.gov (United States)

    Piersol, Allan G.

    2002-05-01

    This procedure was developed for validating pyroshock data by Powers and the author, using techniques originated by Gaberson and Chalmers in validating naval shock data at lower frequencies and subsequently modified. It requires that the acceleration time history be single and double integrated to obtain a velocity and a displacement time history, which is to be examined. Valid data look like a low-pass filtered acceleration time history which is not integrated. The maximum resulting displacement should approximate the independently measured displacement (often near zero) or that previously computed analytically for the structure at the measured location. In addition, the positive and negative SRS are computed and compared. Valid data usually show similar spectral content.

  16. RELIABLE VALIDATION BASED ON OPTICAL FLOW VISUALIZATION FOR CFD SIMULATIONS

    Institute of Scientific and Technical Information of China (English)

    姜宗林

    2003-01-01

    A reliable validation based on the optical flow visualization for numerical simulations of complex flowfields is addressed in this paper.Several test cases,including two-dimensional,axisymmetric and three-dimensional flowfields,were presented to demonstrate the effectiveness of the validation and gain credibility of numerical solutions of complex flowfields.In the validation,images of these flowfields were constructed from numerical results based on the principle of the optical flow visualization,and compared directly with experimental interferograms.Because both experimental and numerical results are of identical physical representation,the agreement between them can be evaluated effectively by examining flow structures as well as checking discrepancies in density.The study shows that the reliable validation can be achieved by using the direct comparison between numerical and experiment results without any loss of accuracy in either of them.

  17. Validation of New Cancer Biomarkers

    DEFF Research Database (Denmark)

    Duffy, Michael J; Sturgeon, Catherine M; Söletormos, Georg;

    2015-01-01

    in advancing a newly discovered cancer candidate biomarker from pilot studies to clinical application. Four main steps are necessary for a biomarker to reach the clinic: analytical validation of the biomarker assay, clinical validation of the biomarker test, demonstration of clinical value from performance...... of the biomarker test, and regulatory approval. In addition to these 4 steps, all biomarker studies should be reported in a detailed and transparent manner, using previously published checklists and guidelines. Finally, all biomarker studies relating to demonstration of clinical value should be registered before...

  18. How much do incentives affect car purchase? Agent-based microsimulation of consumer choice of new cars-Part I: Model structure, simulation of bounded rationality, and model validation

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Michel G. [ETH Zurich, Institute for Environmental Decisions, Natural and Social Science Interface, Universitaetstr. 22, CHN J 73.2, 8092 Zurich (Switzerland); Haan, Peter de [ETH Zurich, Institute for Environmental Decisions, Natural and Social Science Interface, Universitaetstr. 22, CHN J 73.2, 8092 Zurich (Switzerland)], E-mail: peter.dehaan@env.ethz.ch

    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.

  19. How much do incentives affect car purchase? Agent-based microsimulation of consumer choice of new cars-Part I: Model structure, simulation of bounded rationality, and model validation

    International Nuclear Information System (INIS)

    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

  20. CRM SCALE DEVELOPMENT & VALIDATION IN INDIAN BANKING SECTOR

    Directory of Open Access Journals (Sweden)

    Arun Kumar Agariya

    2012-04-01

    Full Text Available The aim of this paper is to develop a reliable and valid CRM (Customer relationship management scale specifically catering to Indian banking sector. An exhaustive review of literature on CRM was followed by depth interview and questionnaire survey. Exploratory factor analysis was followed by confirmatory factor analysis, which was presented in three forms; the single factor model, covariance model and the structural model. The covariance model shows CRM in Indian banking sector as a multidimensional construct comprising of fact ors namely organizational structure and customer support, service quality, trust, technology, personalization and market orientation. The structural model validates the previously extracted factors along with their indicators. The findings of this study validate the long held belief that CRM is a multidimensional construct and serves as a critical success factor for business performance. Since this study was conducted in context of Indian banking sector, the generalizability of the CRM scale has to be tested in other countries. A fair amount of literature on Indian banking sector dealt with identifying factors explaining the constructs of quality, value or satisfaction. But there is paucity of research pertaining to industry specific CRM scale development and validation. This study is an attempt to bridge this gap in the existing literature. It provides a conceptually validated CRM scale catering to Indian banking sector, which can help the managers in implementing the CRM in an effective manner and also can be used as a tool to identify the major areas requiring attention.

  1. Checklist for the qualitative evaluation of clinical studies with particular focus on external validity and model validity

    Directory of Open Access Journals (Sweden)

    Vollmar Horst C

    2006-12-01

    Full Text Available Abstract Background It is often stated that external validity is not sufficiently considered in the assessment of clinical studies. Although tools for its evaluation have been established, there is a lack of awareness of their significance and application. In this article, a comprehensive checklist is presented addressing these relevant criteria. Methods The checklist was developed by listing the most commonly used assessment criteria for clinical studies. Additionally, specific lists for individual applications were included. The categories of biases of internal validity (selection, performance, attrition and detection bias correspond to structural, treatment-related and observational differences between the test and control groups. Analogously, we have extended these categories to address external validity and model validity, regarding similarity between the study population/conditions and the general population/conditions related to structure, treatment and observation. Results A checklist is presented, in which the evaluation criteria concerning external validity and model validity are systemised and transformed into a questionnaire format. Conclusion The checklist presented in this article can be applied to both planning and evaluating of clinical studies. We encourage the prospective user to modify the checklists according to the respective application and research question. The higher expenditure needed for the evaluation of clinical studies in systematic reviews is justified, particularly in the light of the influential nature of their conclusions on therapeutic decisions and the creation of clinical guidelines.

  2. Static Validation of Security Protocols

    DEFF Research Database (Denmark)

    Bodei, Chiara; Buchholtz, Mikael; Degano, P.;

    2005-01-01

    We methodically expand protocol narrations into terms of a process algebra in order to specify some of the checks that need to be made in a protocol. We then apply static analysis technology to develop an automatic validation procedure for protocols. Finally, we demonstrate that these techniques...

  3. Assessment of juveniles testimonies’ validity

    Directory of Open Access Journals (Sweden)

    Dozortseva E.G.

    2015-12-01

    Full Text Available The article presents a review of the English language publications concerning the history and the current state of differential psychological assessment of validity of testimonies produced by child and adolescent victims of crimes. The topicality of the problem in Russia is high due to the tendency of Russian specialists to use methodical means and instruments developed abroad in this sphere for forensic assessments of witness testimony veracity. A system of Statement Validity Analysis (SVA by means of Criteria-Based Content Analysis (CBCA and Validity Checklist is described. The results of laboratory and field studies of validity of CBCA criteria on the basis of child and adult witnesses are discussed. The data display a good differentiating capacity of the method, however, a high level of error probability. The researchers recommend implementation of SVA in the criminal investigation process, but not in the forensic assessment. New perspective developments in the field of methods for differentiation of witness statements based on the real experience and fictional are noted. The conclusion is drawn that empirical studies and a special work for adaptation and development of new approaches should precede their implementation into Russian criminal investigation and forensic assessment practice

  4. Validation process of simulation model

    International Nuclear Information System (INIS)

    It is presented a methodology on empirical validation about any detailed simulation model. This king of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparisons between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posterior experiments. Three steps can be well differentiated: Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. Residual analysis. This analysis has been made on the time domain and on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, Esp., studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author) 17 refs

  5. Validity of Management Control Topoi

    DEFF Research Database (Denmark)

    Nørreklit, Lennart; Nørreklit, Hanne; Israelsen, Poul

    2004-01-01

    The validity of research and company topoi for constructing/analyzing relaity is analyzed as the integration of the four aspects (dimensions): fact, possibility (logic), value and comunication. Main stream, agency theory and social constructivism are critizied for reductivism (incomplete integrat...

  6. Generalization of Selection Test Validity.

    Science.gov (United States)

    Colbert, G. A.; Taylor, L. R.

    1978-01-01

    This is part three of a three-part series concerned with the empirical development of homogeneous families of insurance company jobs based on data from the Position Analysis Questionnaire (PAQ). This part involves validity generalizations within the job families which resulted from the previous research. (Editor/RK)

  7. Protein mechanics: a route from structure to function

    Indian Academy of Sciences (India)

    Richard Lavery; Sophie Sacquin-Mora

    2007-08-01

    In order to better understand the mechanical properties of proteins, we have developed simulation tools which enable these properties to be analysed on a residue-by-residue basis. Although these calculations are relatively expensive with all-atom protein models, good results can be obtained much faster using coarse-grained approaches. The results show that proteins are surprisingly heterogeneous from a mechanical point of view and that functionally important residues often exhibit unusual mechanical behaviour. This finding offers a novel means for detecting functional sites and also potentially provides a route for understanding the links between structure and function in more general terms.

  8. A Contribution to Documenting and Validating Dynamic Interaction Effects

    DEFF Research Database (Denmark)

    Pedersen, Lars

    2007-01-01

    On structures carrying humans (e.g. floors, grandstands in stadia etc.) there may be two different types of crowds present: Active and passive crowds of people. The active crowd, comprising people in motion, may generate dynamic loads causing the structure to vibrate. The passive (stationary) crowd......, e.g. humans sitting or standing on the structure, interact dynamically with the structure in a passive sense and this crowd influences the dynamic characteristics of the structure such as its damping capacity. The paper looks into the dynamic interaction between the passive (stationary) crowd...... and a floor in vertical motion. The mechanism of crowd-structure interaction is not well understood and the primary aim of the paper is to present results of experimental investigations documenting effects of crowd-structure interaction and to exploring the validity of a crowd-structure interaction model...

  9. Testing and validating environmental models

    Science.gov (United States)

    Kirchner, J.W.; Hooper, R.P.; Kendall, C.; Neal, C.; Leavesley, G.

    1996-01-01

    Generally accepted standards for testing and validating ecosystem models would benefit both modellers and model users. Universally applicable test procedures are difficult to prescribe, given the diversity of modelling approaches and the many uses for models. However, the generally accepted scientific principles of documentation and disclosure provide a useful framework for devising general standards for model evaluation. Adequately documenting model tests requires explicit performance criteria, and explicit benchmarks against which model performance is compared. A model's validity, reliability, and accuracy can be most meaningfully judged by explicit comparison against the available alternatives. In contrast, current practice is often characterized by vague, subjective claims that model predictions show 'acceptable' agreement with data; such claims provide little basis for choosing among alternative models. Strict model tests (those that invalid models are unlikely to pass) are the only ones capable of convincing rational skeptics that a model is probably valid. However, 'false positive' rates as low as 10% can substantially erode the power of validation tests, making them insufficiently strict to convince rational skeptics. Validation tests are often undermined by excessive parameter calibration and overuse of ad hoc model features. Tests are often also divorced from the conditions under which a model will be used, particularly when it is designed to forecast beyond the range of historical experience. In such situations, data from laboratory and field manipulation experiments can provide particularly effective tests, because one can create experimental conditions quite different from historical data, and because experimental data can provide a more precisely defined 'target' for the model to hit. We present a simple demonstration showing that the two most common methods for comparing model predictions to environmental time series (plotting model time series

  10. Constructing validity arguments for test combinations

    NARCIS (Netherlands)

    Wools, Saskia; Eggen, Theo J.H.M.; Béguin, Anton

    2016-01-01

    The argument-based approach to validation has been widely adopted in validation theory. However, this approach aims to validate the intended interpretation and use of a single test or assessment. This article proposes an extension of the argument-based approach for validation of multiple tests. This

  11. Alternative methods in toxicology: pre-validated and validated methods

    OpenAIRE

    Kandárová, Helena; Letašiová, Silvia

    2011-01-01

    The development of alternative methods to animal experimentation has progressed rapidly over the last 20 years. Today, in vitro and in silico methods have an important role in the hazard identification and assessment of toxicology profile of compounds. Advanced alternative methods and their combinations are also used for safety assessment of final products. Several alternative methods, which were scientifically validated and accepted by competent regulatory bodies, can be used for regulatory ...

  12. Development and Validation of the Pain Response Inventory for Children.

    Science.gov (United States)

    Walker, Lynn S.; Smith, Craig A.; Garber, Judy; Van Slyke, Deborah A.

    1997-01-01

    Confirmatory factor analysis was used to derive and cross-validate the factor structure of the Pain Response Inventory (PRI), a measure of children's coping responses to recurrent pain, with 688 school children, 120 children with abdominal pain, and 175 former abdominal pain patients. Results suggest that different health outcomes are predicted by…

  13. Validating Two Questions in the Force Concept Inventory with Subquestions

    Science.gov (United States)

    Yasuda, Jun-ichiro; Taniguchi, Masa-aki

    2013-01-01

    In this study, we evaluate the structural validity of Q.16 and Q.7 in the Force Concept Inventory (FCI). We address whether respondents who answer Q.16 and Q.7 correctly actually have an understanding of the concepts of physics tested in the questions. To examine respondents' levels of understanding, we use subquestions that test them on concepts…

  14. Construct Validity of the Children's Music-Related Behavior Questionnaire

    Science.gov (United States)

    Valerio, Wendy H.; Reynolds, Alison M.; Morgan, Grant B.; McNair, Anne A.

    2012-01-01

    The purpose of this research was to investigate the construct validity of the Children's Music-Related Behavior Questionnaire (CMRBQ), an instrument designed for parents to document music-related behaviors about their children and themselves. The research problem was to examine the hypothesized factorial structure of the questionnaire. From a…

  15. The Schizotypic Syndrome Questionnaire (SSQ): Psychometrics, validation and norms.

    NARCIS (Netherlands)

    Kampen, van D.

    2006-01-01

    Abstract This paper examines the psychometric properties (reliability and factor structure) and validity (relationship with various self-report measures and SPEM dysfunction) of the SSQ or Schizotypic Syndrome Questionnaire, a 108-item inventory for the measurement of 12 prodromal or schizotypic sym

  16. Validation of the Seating and Mobility Script Concordance Test

    Science.gov (United States)

    Cohen, Laura J.; Fitzgerald, Shirley G.; Lane, Suzanne; Boninger, Michael L.; Minkel, Jean; McCue, Michael

    2009-01-01

    The purpose of this study was to develop the scoring system for the Seating and Mobility Script Concordance Test (SMSCT), obtain and appraise internal and external structure evidence, and assess the validity of the SMSCT. The SMSCT purpose is to provide a method for testing knowledge of seating and mobility prescription. A sample of 106 therapists…

  17. Understanding Foreign Language Learning Strategies: A Validation Study

    Science.gov (United States)

    Tragant, Elsa; Thompson, Marilyn S.; Victori, Mia

    2013-01-01

    The present work aims to contribute to our understanding of the underlying dimensions of language learning strategies in foreign language contexts. The study analyzes alternative factor structures underlying a recently developed instrument (Tragant and Victori, 2012) and it includes the age factor in the examination of its construct validity. The…

  18. Latino/a Values Scale: Development, Reliability, and Validity

    Science.gov (United States)

    Kim, Bryan S. K.; Soliz, Alicia; Orellana, Blanca; Alamilla, Saul G.

    2009-01-01

    This article describes the development of the Latino/a Values Scale (35 items, 14 reverse-worded). Evidence of reliability and validity are presented on the basis of three studies. An examination of the factor structure of the items suggests the presence of the following dimensions: cultural pride, simpatia, familismo, and espiritismo. (Contains 4…

  19. Comparative Validity of the Shedler and Westen Assessment Procedure-200

    Science.gov (United States)

    Mullins-Sweatt, Stephanie N.; Widiger, Thomas A.

    2008-01-01

    A predominant dimensional model of general personality structure is the five-factor model (FFM). Quite a number of alternative instruments have been developed to assess the domains of the FFM. The current study compares the validity of 2 alternative versions of the Shedler and Westen Assessment Procedure (SWAP-200) FFM scales, 1 that was developed…

  20. Measuring Elementary Student's Mathematics Motivation: A Validity Study

    Science.gov (United States)

    Orosco, Michael J.

    2016-01-01

    The psychometric properties of a 10-item math motivation scale were empirically validated with an independent sample consisting of 182 elementary-school students. Analysis of the model dimensionality supported a one-factor structure fit. Item parameter estimates from a Classical Test Theory framework revealed that most items were highly…

  1. The cardiac anxiety questionnaire: cross-validation among cardiac inpatients

    NARCIS (Netherlands)

    Beek, M.H. van; Oude Voshaar, R.C.; Deelen, F.M. van; Balkom, A.J. van; Pop, G.A.; Speckens, A.E.

    2012-01-01

    OBJECTIVE: General anxiety symptoms are common in patients with cardiac disease and considered to have an adverse effect on cardiac prognosis. The role of specific cardiac anxiety, however, is still unknown. The aim of this study is to examine the factor structure, reliability, and validity of the D

  2. THE CARDIAC ANXIETY QUESTIONNAIRE : CROSS-VALIDATION AMONG CARDIAC INPATIENTS

    NARCIS (Netherlands)

    van Beek, M. H. C. T.; Voshaar, R. C. Oude; van Deelen, F. M.; van Balkom, A. J. L. M.; Pop, G.; Speckens, A. E. M.

    2012-01-01

    Objective: General anxiety symptoms are common in patients with cardiac disease and considered to have an adverse effect on cardiac prognosis. The role of specific cardiac anxiety, however, is still unknown. The aim of this study is to examine the factor structure, reliability, and validity of the D

  3. Process chain validation in micro and nano replication

    DEFF Research Database (Denmark)

    Calaon, Matteo

    to remove technology barrier between lab-scale proof-of-principle and high-volume low-cost production of nantechnology based products. The aim of the current study was to develop methods and approaches to process chain validation for final polymer micro and nano structures replication. Fidelity between...... nm and process reproducibility within a range of ±8 nm. Therefore test structures provide a process calibration tool enabling definition of tolerance limits within micro and nano replication...

  4. Experimentally Validated Nonlinear Analysis of Bridge Plate Girders with Deformations

    Directory of Open Access Journals (Sweden)

    Kużawa Mieszko

    2015-09-01

    Full Text Available Comprehensive methodology of numerical nonlinear analysis of the consecutive phases in the structural behaviour of bridge plate girders with deformations is presented. The analysis concerns all stages of structure loading until failure and especially determination of the ultimate shear load capacity. Verification and validation of the numerical procedures proposed is based on comparison of the calculated results with effects of experimental laboratory shear capacity tests of plate girders carried out at the University of Ljubljana.

  5. Validation and Classification of Web Services using Equalization Validation Classification

    Directory of Open Access Journals (Sweden)

    ALAMELU MUTHUKRISHNAN

    2012-12-01

    Full Text Available In the business process world, web services present a managed and middleware to connect huge number of services. Web service transaction is a mechanism to compose services with their desired quality parameters. If enormous transactions occur, the provider could not acquire the accurate data at the correct time. So it is necessary to reduce the overburden of web service t ransactions. In order to reduce the excess of transactions form customers to providers, this paper propose a new method called Equalization Validation Classification. This method introduces a new weight - reducing algorithm called Efficient Trim Down algorit hm to reduce the overburden of the incoming client requests. When this proposed algorithm is compared with Decision tree algorithms of (J48, Random Tree, Random Forest, AD Tree it produces a better accuracy and Validation than the existing algorithms. The proposed trimming method was analyzed with the Decision tree algorithms and the results implementation shows that the ETD algorithm provides better performance in terms of improved accuracy with Effective Validation. Therefore, the proposed method provide s a good gateway to reduce the overburden of the client requests in web services. Moreover analyzing the requests arrived from a vast number of clients and preventing the illegitimate requests save the service provider time

  6. Assessing the construct validity of aberrant salience

    Directory of Open Access Journals (Sweden)

    Kristin Schmidt

    2009-12-01

    Full Text Available We sought to validate the psychometric properties of a recently developed paradigm that aims to measure salience attribution processes proposed to contribute to positive psychotic symptoms, the Salience Attribution Test (SAT. The “aberrant salience” measure from the SAT showed good face validity in previous results, with elevated scores both in high-schizotypy individuals, and in patients with schizophrenia suffering from delusions. Exploring the construct validity of salience attribution variables derived from the SAT is important, since other factors, including latent inhibition/learned irrelevance, attention, probabilistic reward learning, sensitivity to probability, general cognitive ability and working memory could influence these measures. Fifty healthy participants completed schizotypy scales, the SAT, a learned irrelevance task, and a number of other cognitive tasks tapping into potentially confounding processes. Behavioural measures of interest from each task were entered into a principal components analysis, which yielded a five-factor structure accounting for ~75% percent of the variance in behaviour. Implicit aberrant salience was found to load onto its own factor, which was associated with elevated “Introvertive Anhedonia” schizotypy, replicating our previous finding. Learned irrelevance loaded onto a separate factor, which also included implicit adaptive salience, but was not associated with schizotypy. Explicit adaptive and aberrant salience, along with a measure of probabilistic learning, loaded onto a further factor, though this also did not correlate with schizotypy. These results suggest that the measures of learned irrelevance and implicit adaptive salience might be based on similar underlying processes, which are dissociable both from implicit aberrant salience and explicit measures of salience.

  7. Validity of normalized Rietveld phase concentration estimates

    International Nuclear Information System (INIS)

    Full text: The well known normalization condition introduced by Hill and Howard (1987), Wj=Sj(ZMV)j/ Σi Sj(ZMV)i, is valid only if all Si and (ZMV)i are known. The relationship will provide systematic overestimates of phase concentration if there exists in the sample any unidentified phases or an amorphous content. This limitation can be overcome by adding an internal standard at known concentration as described by Hill and Howard, 1987. Sometimes it is impractical to add an internal standard. It would be advantageous to be able to check the validity of the normalized estimates. A check can be made using an external standard, measured or calculated mass absorption values and knowledge of the relationship between the value of the Rietveld scale factor for the external standard and the diffractometer conditions used. This relationship is described by Pratapa et. al., 1998, as Wk=Sk(ZMV)k μm/.[Ss (ZMV)s μms] Ws, where 'k' is in the sample of interest, 's' is in the external standard and the sample of interest and the external standard are measured under the same diffractometer conditions. The external standard does not have to be a pure phase. The restrictions on the external standard are that the phase on interest contains negligible amorphous content, the structure is known (ZMV) and the mass absorption value of external standard at the wavelength of interest can be measured or estimated accurately. Normalized Rietveld phase concentration estimates can be validated by comparing the normalized values against those produced using a previously well-defined external standard. Copyright (1999) Australian X-ray Analytical Association Inc

  8. Site characterization and validation - Final report

    International Nuclear Information System (INIS)

    The central aims of the Site Characterization and Validation (SCV) project were to develop and apply; * an advanced site characterization methodology and * a methodology to validate the models used to describe groundwater flow and transport in fractured rock. The basic experiment within the SCV project was to predict the distribution of water flow and tracer transport through a volume of rock, before and after excavation of a sub-horizontal drift, and to compare these predictions with actual field measurements. A structured approach was developed to combine site characterization data into a geological and hydrogeological conceptual model of a site. The conceptual model was based on a binary description where the rock mass was divided into 'fracture zones' and 'averagely fractured rock'. This designation into categories was based on a Fracture Zone Index (FZI) derived from principal component analysis of single borehole data. The FZI was used to identify the location of fracture zones in the boreholes and the extent of the zones between the boreholes was obtained form remote sensing data (radar and seismics). The consistency of the geometric model thus defined, and its significance to the flow system, was verified by cross-hole hydraulic testing. The conceptual model of the SCV site contained three major and four minor fractures zones which were the principal hydraulic conduits at the site. The location and extent of the fracture zones were included explicitly in the flow and transport models. Four different numerical modelling approaches were pursued within the project; one porous medium approach, two discrete fracture approaches, and an equivalent discontinuum approach. A series of tracer tests was also included in the prediction-validation exercise. (120 refs.) (au)

  9. Emergency operating procedures. Generation, verification and validation

    International Nuclear Information System (INIS)

    Systems Response, Operator Cognition and the application of the Emergency Operating Procedures (EOP) Standards for Canadian Nuclear Utilities are three of the four corner stones of the Point Lepreau EOP program, the fourth corner stone is a common sense application of the other three. The Emergency Operating Procedures for the Point Lepreau Generating Station have been subject to two major revisions over the past decade. The later revision, currently in progress, reflects a full application of the 'Emergency Operating Procedures Standards for Canadian Utilities'. The Standards require, prior to issue of an Emergency Operating Procedure, the application of a process which entails the elements of 'Generation', 'Verification' and 'Validation'. This paper describes that process with respect to the production (including Generation, Verification and Validation) of a generic EOP and those EOPs which deal with Loss of Coolant Accidents and Loss of Heat Sink accidents. The activities involved in each of the elements are discussed and illustrated with examples extracted from the EOPs. The EOPs are part of a larger framework which dictates the human response to an upset - the plant specific 'Upset Response Strategy'. That strategy is developed from a fundamental understanding of the process time constants. Likewise, the strategies internal to an EOP must recognize both process time constants and the 'human time constants'. The EOP structure, format and detailed content must recognize the Control Room Operator as an intelligent controller -objectives, inputs, decisions and actions must be expressed with the CROs' cognition foremost. Proper application of the elements of Generation, Verification and Validation ensure that the necessary technical and operational experience has been incorporated into an EOP before it is released to training and before it is issued. (author) 8 refs., 4 figs

  10. JaqEngine Model Validation

    Energy Technology Data Exchange (ETDEWEB)

    Rademakers, C.

    2009-03-15

    The JaqEngine is a concept engine. It runs on the two stroke internal combustion principle, but is based on an uncommon piston setup and a unique mechanical conversion system. The design of the current prototype of the JaqEngine is (partially) based on two thermodynamic models: A numeric combustion cycle (NCC) model and a computational fluid dynamics (CFD) model. The NCC model simulates multiple combustion cycles and determines global parameters such as cylinder pressure, engine power and overall efficiency. The CFD model simulates the turbulent flow of gasses running through the engine. It provides more detailed information at the cost of increased computational demands. Changes made to the design of the JaqEngine are based on the results of these thermodynamic models. To ensure their results are accurate and reliable, the models need to be validated. Validation consists of checking the input, the used modelling density (e.g. step size or grid size), the working principles of the various components and the implementation of the underlying physical phenomena. After the models are functionally validated they can be verified and corrected using real life data. Eventually the thermodynamics models are a valuable component during redesigning prototypes and programming the engine management system. This report covers the validation of both thermodynamic models of the JaqEngine. The characteristics of the JaqEngine, its benefits and its disadvantages are summed up, with special attention to the usability of the thermodynamic models. The NCC model is rewritten into a more practical format and each component is individually analyzed and checked. The stability and grid quality of the CFD model are investigated and the solver is validated using a backward facing step. Also the usability of the CFD model is investigated by analyzing the performance of the ports and manifolds. In the final part of the report the requirements and setup of the engine test bed is given along with

  11. Methodology for Validating Building Energy Analysis Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Judkoff, R.; Wortman, D.; O' Doherty, B.; Burch, J.

    2008-04-01

    The objective of this report was to develop a validation methodology for building energy analysis simulations, collect high-quality, unambiguous empirical data for validation, and apply the validation methodology to the DOE-2.1, BLAST-2MRT, BLAST-3.0, DEROB-3, DEROB-4, and SUNCAT 2.4 computer programs. This report covers background information, literature survey, validation methodology, comparative studies, analytical verification, empirical validation, comparative evaluation of codes, and conclusions.

  12. Construct validity of the Moral Development Scale for Professionals (MDSP

    Directory of Open Access Journals (Sweden)

    Söderhamn O

    2011-05-01

    Full Text Available Olle Söderhamn1,2, John Olav Bjørnestad1, Anne Skisland1, Christina Cliffordson21Faculty of Health and Sport Sciences, University of Agder, Grimstad and Kristiansand, Norway; 2Department of Nursing, Health and Culture, University West, Trollhättan, SwedenAbstract: The aim of this study was to investigate the construct validity of the Moral Development Scale for Professionals (MDSP using structural equation modeling. The instrument is a 12-item self-report instrument, developed in the Scandinavian cultural context and based on Kohlberg’s theory. A hypothesized simplex structure model underlying the MDSP was tested through structural equation modeling. Validity was also tested as the proportion of respondents older than 20 years that reached the highest moral level, which according to the theory should be small. A convenience sample of 339 nursing students with a mean age of 25.3 years participated. Results confirmed the simplex model structure, indicating that MDSP reflects a moral construct empirically organized from low to high. A minority of respondents >20 years of age (13.5% scored more than 80% on the highest moral level. The findings support the construct validity of the MDSP and the stages and levels in Kohlberg’s theory.Keywords: Kohlberg, scale testing, simplex structure model, structural equation modeling

  13. Discriminant validity of the adult attachment interview.

    Science.gov (United States)

    Crowell, J A; Waters, E; Treboux, D; O'Connor, E O; Colon-Downs, C; Feider, O; Golby, B; Posada

    1996-10-01

    The Adult Attachment Interview is a semi-structured interview developed to investigate adults' attachment representations. Subjects are asked to describe their parents as caregivers, explain these descriptions, describe how their parents typically responded to distress, and discuss their current relationships with their parents. They are also asked to describe any significant losses and/or instances of abuse during childhood. Scoring focuses on the accessibility of early experiences to memory and the coherence and plausibility of the subject's narrative. Discriminant validity is always an important issue with such measures because IQ and other cognitively loaded variables offer plausible alternative interpretations or represent important correlates that should be treated as covariates when the measure is used. In addition, complex, multifaceted interviews always pose the risk of assessing general social adjustment rather than a more narrowly defined construct. This study examines the discriminant validity of the AAI vis(-)à-vis intelligence, social desirability, discourse style, and general social adjustment in a sample of 53 native-English-speaking, married women with preschool children. They were assessed with the AAI, a written IQ test, the Social Adjustment Scale, the Employment Experience Interview (discourse style), and a measure of social desirability. There were modest but significant correlations with IQ scores and social adjustment. There was no relation between AAI classifications and discourse style or social desirability. These results substantially strengthen the case for interpreting the AAI as an attachment-related measure.

  14. SPR Hydrostatic Column Model Verification and Validation.

    Energy Technology Data Exchange (ETDEWEB)

    Bettin, Giorgia [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lord, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rudeen, David Keith [Gram, Inc. Albuquerque, NM (United States)

    2015-10-01

    A Hydrostatic Column Model (HCM) was developed to help differentiate between normal "tight" well behavior and small-leak behavior under nitrogen for testing the pressure integrity of crude oil storage wells at the U.S. Strategic Petroleum Reserve. This effort was motivated by steady, yet distinct, pressure behavior of a series of Big Hill caverns that have been placed under nitrogen for extended period of time. This report describes the HCM model, its functional requirements, the model structure and the verification and validation process. Different modes of operation are also described, which illustrate how the software can be used to model extended nitrogen monitoring and Mechanical Integrity Tests by predicting wellhead pressures along with nitrogen interface movements. Model verification has shown that the program runs correctly and it is implemented as intended. The cavern BH101 long term nitrogen test was used to validate the model which showed very good agreement with measured data. This supports the claim that the model is, in fact, capturing the relevant physical phenomena and can be used to make accurate predictions of both wellhead pressure and interface movements.

  15. Precision validation of MIPAS-Envisat products

    Directory of Open Access Journals (Sweden)

    C. Piccolo

    2007-01-01

    Full Text Available This paper discusses the variation and validation of the precision, or estimated random error, associated with the ESA Level 2 products from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS. This quantity represents the propagation of the radiometric noise from the spectra through the retrieval process into the Level 2 profile values. The noise itself varies with time, steadily rising between ice decontamination events, but the Level 2 precision has a greater variation due to the atmospheric temperature which controls the total radiance received. Hence, for all species, the precision varies latitudinally/seasonally with temperature, with a small superimposed temporal structure determined by the degree of ice contamination on the detectors. The precision validation involves comparing two MIPAS retrievals at the intersections of ascending/descending orbits. For 5 days per month of full resolution MIPAS operation, the standard deviation of the matching profile pairs is computed and compared with the precision given in the MIPAS Level 2 data, except for NO2 since it has a large diurnal variation between ascending/descending intersections. Even taking into account the propagation of the pressure-temperature retrieval errors into the VMR retrieval, the standard deviation of the matching pairs is usually a factor 1–2 larger than the precision. This is thought to be due to effects such as horizontal inhomogeneity of the atmosphere and instability of the retrieval.

  16. Social Reward Questionnaire (SRQ: Development and validation

    Directory of Open Access Journals (Sweden)

    Lucy eFoulkes

    2014-03-01

    Full Text Available Human beings seek out social interactions as a source of reward. To date, there have been limited attempts to identify different forms of social reward, and little is known about how the value of social rewards might vary between individuals. This study aimed to address both these issues by developing the Social Reward Questionnaire (SRQ, a measure of individual differences in the value of different social rewards. Exploratory factor analysis (EFA was run on an initial set of 75 items (N=305. Based on this analysis, confirmatory factor analysis (CFA was then conducted on a second sample (N=505 with a refined 23-item scale. This analysis was used to test a six-factor structure, which resulted in good model fit (CFI=.96, RSMEA=.07. The factors represent six subscales of social reward defined as follows: Admiration; Negative Social Potency; Passivity; Prosocial Interactions; Sexual Reward; and Sociability. All subscales demonstrated good test-retest reliability and internal consistency. Each subscale also showed a distinct pattern of associations with external correlates measuring personality traits, attitudes and goals, thus demonstrating construct validity. Taken together, the findings suggest that the SRQ is a reliable, valid measure that can be used to assess individual differences in the value experienced from different social rewards.

  17. Drive: Theory and Construct Validation.

    Science.gov (United States)

    Siegling, Alex B; Petrides, K V

    2016-01-01

    This article explicates the theory of drive and describes the development and validation of two measures. A representative set of drive facets was derived from an extensive corpus of human attributes (Study 1). Operationalised using an International Personality Item Pool version (the Drive:IPIP), a three-factor model was extracted from the facets in two samples and confirmed on a third sample (Study 2). The multi-item IPIP measure showed congruence with a short form, based on single-item ratings of the facets, and both demonstrated cross-informant reliability. Evidence also supported the measures' convergent, discriminant, concurrent, and incremental validity (Study 3). Based on very promising findings, the authors hope to initiate a stream of research in what is argued to be a rather neglected niche of individual differences and non-cognitive assessment.

  18. Critical validation studies of neurofeedback.

    Science.gov (United States)

    Gruzelier, John; Egner, Tobias

    2005-01-01

    The field of neurofeedback training has proceeded largely without validation. In this article the authors review studies directed at validating sensory motor rhythm, beta and alpha-theta protocols for improving attention, memory, and music performance in healthy participants. Importantly, benefits were demonstrable with cognitive and neurophysiologic measures that were predicted on the basis of regression models of learning to enhance sensory motor rhythm and beta activity. The first evidence of operant control over the alpha-theta ratio is provided, together with remarkable improvements in artistic aspects of music performance equivalent to two class grades in conservatory students. These are initial steps in providing a much needed scientific basis to neurofeedback. PMID:15564053

  19. Drive: Theory and Construct Validation.

    Science.gov (United States)

    Siegling, Alex B; Petrides, K V

    2016-01-01

    This article explicates the theory of drive and describes the development and validation of two measures. A representative set of drive facets was derived from an extensive corpus of human attributes (Study 1). Operationalised using an International Personality Item Pool version (the Drive:IPIP), a three-factor model was extracted from the facets in two samples and confirmed on a third sample (Study 2). The multi-item IPIP measure showed congruence with a short form, based on single-item ratings of the facets, and both demonstrated cross-informant reliability. Evidence also supported the measures' convergent, discriminant, concurrent, and incremental validity (Study 3). Based on very promising findings, the authors hope to initiate a stream of research in what is argued to be a rather neglected niche of individual differences and non-cognitive assessment. PMID:27409773

  20. The hypothetical world of CoMFA and model validation

    Energy Technology Data Exchange (ETDEWEB)

    Oprea, T.I. [Los Alamos National Lab., NM (United States)

    1996-12-31

    CoMFA is a technique used to establish the three-dimensional similarity of molecular structures, in relationship to a target property. Because the risk of chance correlation is high, validation is required for all CoMFA models. The following validation steps should be performed: the choice of alignment rules (superimposition and conformer criteria) has to use experimental data when available, or different (alternate) hypotheses; statistical methods (e.g., cross-validation with randomized groups), have to emphasize simplicity, robustness, predictivity and explanatory power. When several CoMFA-QSAR models on similar targets and/or structures are available, qualitative lateral validation can be applied. This meta-analysis for CoMFA models offers a broader perspective on the similarities and differences between compared biological targets, with potential applications in rational drug design [e.g., selectivity, efficacy] and environmental toxicology. Examples that focus on validation of CoMFA models include the following steroid-binding proteins: aromatase, the estrogen and the androgen receptors, a monoclonal antibody against progesterone and two steroid binding globulins.