Structural and functional analysis of 5S rRNA in Saccharomyces cerevisiae

PubMed Central

Kiparisov, S.; Sergiev, P. V.; Dontsova, O. A.; Petrov, A.; Meskauskas, A.; Dinman, J. D.

2005-01-01

5S rRNA extends from the central protuberance of the large ribosomal subunit, through the A-site finger, and down to the GTPase-associated center. Here, we present a structure-function analysis of seven 5S rRNA alleles which are sufficient for viability in the yeast Saccharomyces cerevisiae when expressed in the absence of wild-type 5S rRNAs, and extend this analysis using a large bank of mutant alleles that show semidominant phenotypes in the presence of wild-type 5S rRNA. This analysis supports the hypothesis that 5S rRNA serves to link together several different functional centers of the ribosome. Data are also presented which suggest that in eukaryotic genomes selection has favored the maintenance of multiple alleles of 5S rRNA, and that these may provide cells with a mechanism to post-transcriptionally regulate gene expression. PMID:16047201

Structural Equation Models in a Redundancy Analysis Framework With Covariates.

PubMed

Lovaglio, Pietro Giorgio; Vittadini, Giorgio

2014-01-01

A recent method to specify and fit structural equation modeling in the Redundancy Analysis framework based on so-called Extended Redundancy Analysis (ERA) has been proposed in the literature. In this approach, the relationships between the observed exogenous variables and the observed endogenous variables are moderated by the presence of unobservable composites, estimated as linear combinations of exogenous variables. However, in the presence of direct effects linking exogenous and endogenous variables, or concomitant indicators, the composite scores are estimated by ignoring the presence of the specified direct effects. To fit structural equation models, we propose a new specification and estimation method, called Generalized Redundancy Analysis (GRA), allowing us to specify and fit a variety of relationships among composites, endogenous variables, and external covariates. The proposed methodology extends the ERA method, using a more suitable specification and estimation algorithm, by allowing for covariates that affect endogenous indicators indirectly through the composites and/or directly. To illustrate the advantages of GRA over ERA we propose a simulation study of small samples. Moreover, we propose an application aimed at estimating the impact of formal human capital on the initial earnings of graduates of an Italian university, utilizing a structural model consistent with well-established economic theory.

Linear static structural and vibration analysis on high-performance computers

NASA Technical Reports Server (NTRS)

Baddourah, M. A.; Storaasli, O. O.; Bostic, S. W.

1993-01-01

Parallel computers offer the oppurtunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on massively-parallel computers hereafter referred to as Scalable High-Performance Computers (SHPC), for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. models for High-Speed Civil Transport). The goal of this research is to develop a new, efficient technique which extends structural analysis to SHPC and makes large-scale structural analyses tractable.

Static Structural Analysis of a Variable Span Morphing Wing for Unmanned Aerial Vehicle

NASA Astrophysics Data System (ADS)

Bashir, M.; Rajendran, P.

2018-05-01

While the primary reason to develop an adaptive wing is the aerodynamic benefits, the primary hindrance is the structural and vibrational considerations due to the unsteady nature of the airflow during the flight. Hence this study forms an important part of the morphable wing technology. In this paper, the design of a moderate aspect ratio variable span wing will be performed. The morphing wing is modeled structurally to observe the effect of spanwise load distribution on the wing structure. For the structural design and analysis of the unmanned aerial vehicle (UAV) under this study, commercial software Solidworks and Ansys/Static Structural/Modal are used. The static structural analyses of the wing are performed under different load conditions. The results of these analyses show that the designed structure is safe within the flight envelope. It is observed that the wing-root bending moment increases drastically due to an increase in the wingspan. Thus, the bending moment along the wingspan of the morphing wing is much larger than that of the conventional wing which results in an increase in the deflection of the free-end. The maximum stress for the un-extended wing configuration increases for the extended wing configuration.

The structure and formation of natural categories

NASA Technical Reports Server (NTRS)

Fisher, Douglas; Langley, Pat

1990-01-01

Categorization and concept formation are critical activities of intelligence. These processes and the conceptual structures that support them raise important issues at the interface of cognitive psychology and artificial intelligence. The work presumes that advances in these and other areas are best facilitated by research methodologies that reward interdisciplinary interaction. In particular, a computational model is described of concept formation and categorization that exploits a rational analysis of basic level effects by Gluck and Corter. Their work provides a clean prescription of human category preferences that is adapted to the task of concept learning. Also, their analysis was extended to account for typicality and fan effects, and speculate on how the concept formation strategies might be extended to other facets of intelligence, such as problem solving.

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures.

PubMed

Zhang, S; Nordlund, K; Djurabekova, F; Zhang, Y; Velisa, G; Wang, T S

2016-10-01

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures

NASA Astrophysics Data System (ADS)

Zhang, S.; Nordlund, K.; Djurabekova, F.; Zhang, Y.; Velisa, G.; Wang, T. S.

2016-10-01

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop here a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms, Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.

Hydrogen Exchange Mass Spectrometry

PubMed Central

Mayne, Leland

2018-01-01

Hydrogen exchange (HX) methods can reveal much about the structure, energetics, and dynamics of proteins. The addition of mass spectrometry (MS) to an earlier fragmentation-separation HX analysis now extends HX studies to larger proteins at high structural resolution and can provide information not available before. This chapter discusses experimental aspects of HX labeling, especially with respect to the use of MS and the analysis of MS data. PMID:26791986

Building Bridges Between Structural and Program Evaluation Approaches to Evaluating Policy

PubMed Central

Heckman, James J.

2011-01-01

This paper compares the structural approach to economic policy analysis with the program evaluation approach. It offers a third way to do policy analysis that combines the best features of both approaches. We illustrate the value of this alternative approach by making the implicit economics of LATE explicit, thereby extending the interpretability and range of policy questions that LATE can answer. PMID:21743749

Simultaneous Aerodynamic and Structural Design Optimization (SASDO) for a 3-D Wing

NASA Technical Reports Server (NTRS)

Gumbert, Clyde R.; Hou, Gene J.-W.; Newman, Perry A.

2001-01-01

The formulation and implementation of an optimization method called Simultaneous Aerodynamic and Structural Design Optimization (SASDO) is shown as an extension of the Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) method. It is extended by the inclusion of structure element sizing parameters as design variables and Finite Element Method (FEM) analysis responses as constraints. The method aims to reduce the computational expense. incurred in performing shape and sizing optimization using state-of-the-art Computational Fluid Dynamics (CFD) flow analysis, FEM structural analysis and sensitivity analysis tools. SASDO is applied to a simple. isolated, 3-D wing in inviscid flow. Results show that the method finds the saine local optimum as a conventional optimization method with some reduction in the computational cost and without significant modifications; to the analysis tools.

Theoretical and software considerations for nonlinear dynamic analysis

NASA Technical Reports Server (NTRS)

Schmidt, R. J.; Dodds, R. H., Jr.

1983-01-01

In the finite element method for structural analysis, it is generally necessary to discretize the structural model into a very large number of elements to accurately evaluate displacements, strains, and stresses. As the complexity of the model increases, the number of degrees of freedom can easily exceed the capacity of present-day software system. Improvements of structural analysis software including more efficient use of existing hardware and improved structural modeling techniques are discussed. One modeling technique that is used successfully in static linear and nonlinear analysis is multilevel substructuring. This research extends the use of multilevel substructure modeling to include dynamic analysis and defines the requirements for a general purpose software system capable of efficient nonlinear dynamic analysis. The multilevel substructuring technique is presented, the analytical formulations and computational procedures for dynamic analysis and nonlinear mechanics are reviewed, and an approach to the design and implementation of a general purpose structural software system is presented.

COMET-AR User's Manual: COmputational MEchanics Testbed with Adaptive Refinement

NASA Technical Reports Server (NTRS)

Moas, E. (Editor)

1997-01-01

The COMET-AR User's Manual provides a reference manual for the Computational Structural Mechanics Testbed with Adaptive Refinement (COMET-AR), a software system developed jointly by Lockheed Palo Alto Research Laboratory and NASA Langley Research Center under contract NAS1-18444. The COMET-AR system is an extended version of an earlier finite element based structural analysis system called COMET, also developed by Lockheed and NASA. The primary extensions are the adaptive mesh refinement capabilities and a new "object-like" database interface that makes COMET-AR easier to extend further. This User's Manual provides a detailed description of the user interface to COMET-AR from the viewpoint of a structural analyst.

Buckling analysis for anisotropic laminated plates under combined inplane loads

NASA Technical Reports Server (NTRS)

Viswanathan, A. V.; Tamekuni, M.; Baker, L. L.

1974-01-01

The buckling analysis presented considers rectangular flat or curved general laminates subjected to combined inplane normal and shear loads. Linear theory is used in the analysis. All prebuckling deformations and any initial imperfections are ignored. The analysis method can be readily extended to longitudinally stiffened structures subjected to combined inplane normal and shear loads.

Application of the probabilistic approximate analysis method to a turbopump blade analysis. [for Space Shuttle Main Engine

NASA Technical Reports Server (NTRS)

Thacker, B. H.; Mcclung, R. C.; Millwater, H. R.

1990-01-01

An eigenvalue analysis of a typical space propulsion system turbopump blade is presented using an approximate probabilistic analysis methodology. The methodology was developed originally to investigate the feasibility of computing probabilistic structural response using closed-form approximate models. This paper extends the methodology to structures for which simple closed-form solutions do not exist. The finite element method will be used for this demonstration, but the concepts apply to any numerical method. The results agree with detailed analysis results and indicate the usefulness of using a probabilistic approximate analysis in determining efficient solution strategies.

A numerical method for the stress analysis of stiffened-shell structures under nonuniform temperature distributions

NASA Technical Reports Server (NTRS)

Heldenfels, Richard R

1951-01-01

A numerical method is presented for the stress analysis of stiffened-shell structures of arbitrary cross section under nonuniform temperature distributions. The method is based on a previously published procedure that is extended to include temperature effects and multicell construction. The application of the method to practical problems is discussed and an illustrative analysis is presented of a two-cell box beam under the combined action of vertical loads and a nonuniform temperature distribution.

Application of the Spectral Element Method to Acoustic Radiation

NASA Technical Reports Server (NTRS)

Doyle, James F.; Rizzi, Stephen A. (Technical Monitor)

2000-01-01

This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

Item-Level Psychometrics of the Glasgow Outcome Scale: Extended Structured Interviews.

PubMed

Hong, Ickpyo; Li, Chih-Ying; Velozo, Craig A

2016-04-01

The Glasgow Outcome Scale-Extended (GOSE) structured interview captures critical components of activities and participation, including home, shopping, work, leisure, and family/friend relationships. Eighty-nine community dwelling adults with mild-moderate traumatic brain injury (TBI) were recruited (average = 2.7 year post injury). Nine items of the 19 items were used for the psychometrics analysis purpose. Factor analysis and item-level psychometrics were investigated using the Rasch partial-credit model. Although the principal components analysis of residuals suggests that a single measurement factor dominates the measure, the instrument did not meet the factor analysis criteria. Five items met the rating scale criteria. Eight items fit the Rasch model. The instrument demonstrated low person reliability (0.63), low person strata (2.07), and a slight ceiling effect. The GOSE demonstrated limitations in precisely measuring activities/participation for individuals after TBI. Future studies should examine the impact of the low precision of the GOSE on effect size. © The Author(s) 2016.

Cultural Landscape Analysis of Existing Historic Districts: Picatinny Arsenal, New Jersey

DTIC Science & Technology

2016-03-01

district, site, building, structure , or object. Especially relevant is Section 110 of the National Historic Preservation Act, which re- quires federal...82 Figure 79. Noncontributing structures in the Administrative and Research Historic District Boundary (ERDC-CERL, 2012...East side of Cannon Gate structure (ERDC-CERL, 2012). ............................. 142 ERDC/CERL TR-16-4 xii Figure 150. Stone wall that extends

One-dimensional analysis of filamentary composite beam columns with thin-walled open sections

NASA Technical Reports Server (NTRS)

Lo, Patrick K.-L.; Johnson, Eric R.

1986-01-01

Vlasov's one-dimensional structural theory for thin-walled open section bars was originally developed and used for metallic elements. The theory was recently extended to laminated bars fabricated from advanced composite materials. The purpose of this research is to provide a study and assessment of the extended theory. The focus is on flexural and torsional-flexural buckling of thin-walled, open section, laminated composite columns. Buckling loads are computed from the theory using a linear bifurcation analysis and a geometrically nonlinear beam column analysis by the finite element method. Results from the analyses are compared to available test data.

Structural and Biophysical Analysis of BST-2/Tetherin Ectodomains Reveals an Evolutionary Conserved Design to Inhibit Virus Release

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swiecki, M.; Allaire, M.; Scheaffer, S.

2011-01-28

BST-2/tetherin is a host antiviral molecule that functions to potently inhibit the release of enveloped viruses from infected cells. In return, viruses have evolved antagonists to this activity. BST-2 traps budding virions by using two separate membrane-anchoring regions that simultaneously incorporate into the host and viral membranes. Here, we detailed the structural and biophysical properties of the full-length BST-2 ectodomain, which spans the two membrane anchors. The 1.6-{angstrom} crystal structure of the complete mouse BST-2 ectodomain reveals an {approx}145-{angstrom} parallel dimer in an extended {alpha}-helix conformation that predominantly forms a coiled coil bridged by three intermolecular disulfides that are requiredmore » for stability. Sequence analysis in the context of the structure revealed an evolutionarily conserved design that destabilizes the coiled coil, resulting in a labile superstructure, as evidenced by solution x-ray scattering displaying bent conformations spanning 150 and 180 {angstrom} for the mouse and human BST-2 ectodomains, respectively. Additionally, crystal packing analysis revealed possible curvature-sensing tetrameric structures that may aid in proper placement of BST-2 during the genesis of viral progeny. Overall, this extended coiled-coil structure with inherent plasticity is undoubtedly necessary to accommodate the dynamics of viral budding while ensuring separation of the anchors.« less

The PDS4 Metadata Management System

NASA Astrophysics Data System (ADS)

Raugh, A. C.; Hughes, J. S.

2018-04-01

We present the key features of the Planetary Data System (PDS) PDS4 Information Model as an extendable metadata management system for planetary metadata related to data structure, analysis/interpretation, and provenance.

Simulation of Rutherford backscattering spectrometry from arbitrary atom structures

DOE PAGES

Zhang, S.; Univ. of Helsinki; Nordlund, Kai; ...

2016-10-25

Rutherford backscattering spectrometry in a channeling direction (RBS/C) is a powerful tool for analysis of the fraction of atoms displaced from their lattice positions. However, it is in many cases not straightforward to analyze what is the actual defect structure underlying the RBS/C signal. To reveal insights of RBS/C signals from arbitrarily complex defective atomic structures, we develop in this paper a method for simulating the RBS/C spectrum from a set of arbitrary read-in atom coordinates (obtained, e.g., from molecular dynamics simulations). We apply the developed method to simulate the RBS/C signals from Ni crystal structures containing randomly displaced atoms,more » Frenkel point defects, and extended defects, respectively. The RBS/C simulations show that, even for the same number of atoms in defects, the RBS/C signal is much stronger for the extended defects. Finally, comparison with experimental results shows that the disorder profile obtained from RBS/C signals in ion-irradiated Ni is due to a small fraction of extended defects rather than a large number of individual random atoms.« less

Buckling analysis of the quadripod structure for the NASA 70-meter antenna

NASA Technical Reports Server (NTRS)

Chian, Chian T.

1987-01-01

As part of the effort to extend the diameter of three Deep Space Network large earth antennas from 64 meters to 70 meters, a slim profiled quadripod structure was designed to support a 7.7 meter diameter subreflector for the 70 meter antenna. The new quadripod design, which particularly emphasizes reduced radio frequency blockage, is achieved by means of a narrow cross sectional profile of the legs. Buckling analysis, using NASTRAN, was conducted in this study to verify the safety margin for the quadripod structural stability.

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

DOE PAGES

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.

2016-06-23

Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space.more » This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.« less

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

DOE Office of Scientific and Technical Information (OSTI.GOV)

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.

Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space.more » This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.« less

A projection-based model reduction strategy for the wave and vibration analysis of rotating periodic structures

NASA Astrophysics Data System (ADS)

Beli, D.; Mencik, J.-M.; Silva, P. B.; Arruda, J. R. F.

2018-05-01

The wave finite element method has proved to be an efficient and accurate numerical tool to perform the free and forced vibration analysis of linear reciprocal periodic structures, i.e. those conforming to symmetrical wave fields. In this paper, its use is extended to the analysis of rotating periodic structures, which, due to the gyroscopic effect, exhibit asymmetric wave propagation. A projection-based strategy which uses reduced symplectic wave basis is employed, which provides a well-conditioned eigenproblem for computing waves in rotating periodic structures. The proposed formulation is applied to the free and forced response analysis of homogeneous, multi-layered and phononic ring structures. In all test cases, the following features are highlighted: well-conditioned dispersion diagrams, good accuracy, and low computational time. The proposed strategy is particularly convenient in the simulation of rotating structures when parametric analysis for several rotational speeds is usually required, e.g. for calculating Campbell diagrams. This provides an efficient and flexible framework for the analysis of rotordynamic problems.

Multilevel Dynamic Generalized Structured Component Analysis for Brain Connectivity Analysis in Functional Neuroimaging Data.

PubMed

Jung, Kwanghee; Takane, Yoshio; Hwang, Heungsun; Woodward, Todd S

2016-06-01

We extend dynamic generalized structured component analysis (GSCA) to enhance its data-analytic capability in structural equation modeling of multi-subject time series data. Time series data of multiple subjects are typically hierarchically structured, where time points are nested within subjects who are in turn nested within a group. The proposed approach, named multilevel dynamic GSCA, accommodates the nested structure in time series data. Explicitly taking the nested structure into account, the proposed method allows investigating subject-wise variability of the loadings and path coefficients by looking at the variance estimates of the corresponding random effects, as well as fixed loadings between observed and latent variables and fixed path coefficients between latent variables. We demonstrate the effectiveness of the proposed approach by applying the method to the multi-subject functional neuroimaging data for brain connectivity analysis, where time series data-level measurements are nested within subjects.

Money circulation networks reveal emerging geographical communities

NASA Astrophysics Data System (ADS)

Brockmann, D.; Theis, F.; David, V.

2008-03-01

Geographical communities and their boundaries are key determinants of various spatially extended dynamical phenomena. Examples are migration dynamics of species, the spread of infectious diseases, bioinvasive processes, and the spatial evolution of language. We address the question to what extend multiscale human transportation networks encode geographical community structures, how they differ from geopolitical classifications, whether they are spatially coherent, and analyse their structure as a function of length scale. Our analysis is based on a proxy network for human transportation obtained from the geographic circulation of more than 10 million dollar bills in the United States recorded at the bill tracking website www.wheresgeorge.com. The data extends that of a previous study (Brockmann et al., Nature 2006) on the discovery of scaling laws of human travel by an order of magnitude and permits an approach to multiscale human transportation from a network perspective.

Synthesis and optimization of four bar mechanism with six design parameters

NASA Astrophysics Data System (ADS)

Jaiswal, Ankur; Jawale, H. P.

2018-04-01

Function generation is synthesis of mechanism for specific task, involves complexity for specially synthesis above five precision of coupler points. Thus pertains to large structural error. The methodology for arriving to better precision solution is to use the optimization technique. Work presented herein considers methods of optimization of structural error in closed kinematic chain with single degree of freedom, for generating functions like log(x), ex, tan(x), sin(x) with five precision points. The equation in Freudenstein-Chebyshev method is used to develop five point synthesis of mechanism. The extended formulation is proposed and results are obtained to verify existing results in literature. Optimization of structural error is carried out using least square approach. Comparative structural error analysis is presented on optimized error through least square method and extended Freudenstein-Chebyshev method.

Structure-function analysis of the auxilin J-domain reveals an extended Hsc70 interaction interface.

PubMed

Jiang, Jianwen; Taylor, Alexander B; Prasad, Kondury; Ishikawa-Brush, Yumiko; Hart, P John; Lafer, Eileen M; Sousa, Rui

2003-05-20

J-domains are widespread protein interaction modules involved in recruiting and stimulating the activity of Hsp70 family chaperones. We have determined the crystal structure of the J-domain of auxilin, a protein which is involved in uncoating clathrin-coated vesicles. Comparison to the known structures of J-domains from four other proteins reveals that the auxilin J-domain is the most divergent of all J-domain structures described to date. In addition to the canonical J-domain features described previously, the auxilin J-domain contains an extra N-terminal helix and a long loop inserted between helices I and II. The latter loop extends the positively charged surface which forms the Hsc70 binding site, and is shown by directed mutagenesis and surface plasmon resonance to contain side chains important for binding to Hsc70.

Simultaneous analysis and design

NASA Technical Reports Server (NTRS)

Haftka, R. T.

1984-01-01

Optimization techniques are increasingly being used for performing nonlinear structural analysis. The development of element by element (EBE) preconditioned conjugate gradient (CG) techniques is expected to extend this trend to linear analysis. Under these circumstances the structural design problem can be viewed as a nested optimization problem. There are computational benefits to treating this nested problem as a large single optimization problem. The response variables (such as displacements) and the structural parameters are all treated as design variables in a unified formulation which performs simultaneously the design and analysis. Two examples are used for demonstration. A seventy-two bar truss is optimized subject to linear stress constraints and a wing box structure is optimized subject to nonlinear collapse constraints. Both examples show substantial computational savings with the unified approach as compared to the traditional nested approach.

Effects of Structural Flexibility on Aircraft-Engine Mounts

NASA Technical Reports Server (NTRS)

Phillips, W. H.

1986-01-01

Analysis extends technique for design of widely used type of vibration-isolating mounts for aircraft engines, in which rubber mounting pads located in plane behind center of gravity of enginepropeller combination. New analysis treats problem in statics. Results of simple approach useful in providing equations for design of vibrationisolating mounts. Equations applicable in usual situation in which engine-mount structure itself relatively light and placed between large mass of engine and other heavy components of airplane.

Recent Advances in the Analysis of Spiral Bevel Gears

NASA Technical Reports Server (NTRS)

Handschuh, Robert F.

1997-01-01

A review of recent progress for the analysis of spiral bevel gears will be described. The foundation of this work relies on the description of the gear geometry of face-milled spiral bevel gears via the approach developed by Litvin. This methodology was extended by combining the basic gear design data with the manufactured surfaces using a differential geometry approach, and provides the data necessary for assembling three-dimensional finite element models. The finite element models have been utilized to conduct thermal and structural analysis of the gear system. Examples of the methods developed for thermal and structural/contact analysis are presented.

DTFM Modeling and Analysis Method for Gossamer Structures

NASA Technical Reports Server (NTRS)

Fang, Hou-Fei; Lou, Michael; Broduer, Steve (Technical Monitor)

2001-01-01

Gossamer systems are mostly composed of support structures formed by highly flexible, long tubular elements and pre-tensioned thin-film membranes. These systems offer order-of-magnitude reductions in mass and launch volume and will revolutionize the architecture and design of space flight systems that require large in-orbit configurations and apertures. A great interest has been generated in recent years to fly gossamer systems on near-term and future space missions. Modeling and analysis requirements for gossamer structures are unique. Simulation of in-space performance issues of gossamer structures, such as inflation deployment of flexible booms, formation and effects of wrinkle in tensioned membranes, synthesis of tubular and membrane elements into a complete structural system, usually cannot be accomplished by using the general-purpose finite-element structural analysis codes. This has led to the need of structural modeling and analysis capabilities specifically suitable for gossamer structures. The Distributed Transfer Function Method (DTFM) can potentially meet this urgent need. Additional information is contained in the original extended abstract.

Extension of vibrational power flow techniques to two-dimensional structures

NASA Technical Reports Server (NTRS)

Cuschieri, Joseph M.

1988-01-01

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or finite element analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid frequencies between the optimum frequency regimes for SEA and FEA. Power flow analysis has in general been used on 1-D beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to 2-D plate-like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA results at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Extension of vibrational power flow techniques to two-dimensional structures

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or Finite Element Analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid- frequencies between the optimum frequency regimes for FEA and SEA. Power flow analysis has in general been used on one-dimensional beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to two-dimensional plate like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Structural Identifiability of Dynamic Systems Biology Models

PubMed Central

Villaverde, Alejandro F.

2016-01-01

A powerful way of gaining insight into biological systems is by creating a nonlinear differential equation model, which usually contains many unknown parameters. Such a model is called structurally identifiable if it is possible to determine the values of its parameters from measurements of the model outputs. Structural identifiability is a prerequisite for parameter estimation, and should be assessed before exploiting a model. However, this analysis is seldom performed due to the high computational cost involved in the necessary symbolic calculations, which quickly becomes prohibitive as the problem size increases. In this paper we show how to analyse the structural identifiability of a very general class of nonlinear models by extending methods originally developed for studying observability. We present results about models whose identifiability had not been previously determined, report unidentifiabilities that had not been found before, and show how to modify those unidentifiable models to make them identifiable. This method helps prevent problems caused by lack of identifiability analysis, which can compromise the success of tasks such as experiment design, parameter estimation, and model-based optimization. The procedure is called STRIKE-GOLDD (STRuctural Identifiability taKen as Extended-Generalized Observability with Lie Derivatives and Decomposition), and it is implemented in a MATLAB toolbox which is available as open source software. The broad applicability of this approach facilitates the analysis of the increasingly complex models used in systems biology and other areas. PMID:27792726

The Azimuth Structure of Nuclear Collisions — I

NASA Astrophysics Data System (ADS)

Trainor, Thomas A.; Kettler, David T.

We describe azimuth structure commonly associated with elliptic and directed flow in the context of 2D angular autocorrelations for the purpose of precise separation of so-called nonflow (mainly minijets) from flow. We extend the Fourier-transform description of azimuth structure to include power spectra and autocorrelations related by the Wiener-Khintchine theorem. We analyze several examples of conventional flow analysis in that context and question the relevance of reaction plane estimation to flow analysis. We introduce the 2D angular autocorrelation with examples from data analysis and describe a simulation exercise which demonstrates precise separation of flow and nonflow using the 2D autocorrelation method. We show that an alternative correlation measure based on Pearson's normalized covariance provides a more intuitive measure of azimuth structure.

Enhancing the Dependability of Complex Missions Through Automated Analysis

DTIC Science & Technology

2013-09-01

triangular or self - referential relationships. The Semantic Web Rule Language (SWRL)—a W3C-approved OWL extension—addresses some of these limitations by...SWRL extends OWL with Horn-like rules that can model complex relational structures and self - referential relationships; Prolog extends OWL+SWRL with the...8]. Additionally, multi-agent model checking has been used to verify OWL-S process models [9]. OWL is a powerful knowledge representation formalism

High-performance concrete : applying life-cycle cost analysis and developing specifications.

DOT National Transportation Integrated Search

2016-12-01

Numerous studies and transportation agency experience across the nation have established that highperformance concrete (HPC) technology improves concrete quality and extends the service life of concrete structures at risk of chlorideinduced cor...

Probabilistic image modeling with an extended chain graph for human activity recognition and image segmentation.

PubMed

Zhang, Lei; Zeng, Zhi; Ji, Qiang

2011-09-01

Chain graph (CG) is a hybrid probabilistic graphical model (PGM) capable of modeling heterogeneous relationships among random variables. So far, however, its application in image and video analysis is very limited due to lack of principled learning and inference methods for a CG of general topology. To overcome this limitation, we introduce methods to extend the conventional chain-like CG model to CG model with more general topology and the associated methods for learning and inference in such a general CG model. Specifically, we propose techniques to systematically construct a generally structured CG, to parameterize this model, to derive its joint probability distribution, to perform joint parameter learning, and to perform probabilistic inference in this model. To demonstrate the utility of such an extended CG, we apply it to two challenging image and video analysis problems: human activity recognition and image segmentation. The experimental results show improved performance of the extended CG model over the conventional directed or undirected PGMs. This study demonstrates the promise of the extended CG for effective modeling and inference of complex real-world problems.

The Effects of Cognitive Style on Edmodo Users' Behaviour: A Structural Equation Modeling-Based Multi-Group Analysis

ERIC Educational Resources Information Center

Ursavas, Omer Faruk; Reisoglu, Ilknur

2017-01-01

Purpose: The purpose of this paper is to explore the validity of extended technology acceptance model (TAM) in explaining pre-service teachers' Edmodo acceptance and the variation of variables related to TAM among pre-service teachers having different cognitive styles. Design/methodology/approach: Structural equation modeling approach was used to…

G23D: Online tool for mapping and visualization of genomic variants on 3D protein structures.

PubMed

Solomon, Oz; Kunik, Vered; Simon, Amos; Kol, Nitzan; Barel, Ortal; Lev, Atar; Amariglio, Ninette; Somech, Raz; Rechavi, Gidi; Eyal, Eran

2016-08-26

Evaluation of the possible implications of genomic variants is an increasingly important task in the current high throughput sequencing era. Structural information however is still not routinely exploited during this evaluation process. The main reasons can be attributed to the partial structural coverage of the human proteome and the lack of tools which conveniently convert genomic positions, which are the frequent output of genomic pipelines, to proteins and structure coordinates. We present G23D, a tool for conversion of human genomic coordinates to protein coordinates and protein structures. G23D allows mapping of genomic positions/variants on evolutionary related (and not only identical) protein three dimensional (3D) structures as well as on theoretical models. By doing so it significantly extends the space of variants for which structural insight is feasible. To facilitate interpretation of the variant consequence, pathogenic variants, functional sites and polymorphism sites are displayed on protein sequence and structure diagrams alongside the input variants. G23D also provides modeling of the mutant structure, analysis of intra-protein contacts and instant access to functional predictions and predictions of thermo-stability changes. G23D is available at http://www.sheba-cancer.org.il/G23D . G23D extends the fraction of variants for which structural analysis is applicable and provides better and faster accessibility for structural data to biologists and geneticists who routinely work with genomic information.

A Short Note on Rules and Higher Order Rules.

ERIC Educational Resources Information Center

Scandura, Joseph M.

This brief paper argues that structural analysis--an extended form of cognitive task analysis--demonstrates that both domain dependent and domain independent knowledge can be derived from specific content domains. It is noted that the major difference between the two is that lower order rules (specific knowledge) are derived directly from specific…

Multi-disciplinary optimization of aeroservoelastic systems

NASA Technical Reports Server (NTRS)

Karpel, Mardechay

1992-01-01

The purpose of the research project was to continue the development of new methods for efficient aeroservoelastic analysis and optimization. The main targets were as follows: to complete the development of analytical tools for the investigation of flutter with large stiffness changes; to continue the work on efficient continuous gust response and sensitivity derivatives; and to advance the techniques of calculating dynamic loads with control and unsteady aerodynamic effects. An efficient and highly accurate mathematical model for time-domain analysis of flutter during which large structural changes occur was developed in cooperation with Carol D. Wieseman of NASA LaRC. The model was based on the second-year work 'Modal Coordinates for Aeroelastic Analysis with Large Local Structural Variations'. The work on continuous gust response was completed. An abstract of the paper 'Continuous Gust Response and Sensitivity Derivatives Using State-Space Models' was submitted for presentation in the 33rd Israel Annual Conference on Aviation and Astronautics, Feb. 1993. The abstract is given in Appendix A. The work extends the optimization model to deal with continuous gust objectives in a way that facilitates their inclusion in the efficient multi-disciplinary optimization scheme. Currently under development is a work designed to extend the analysis and optimization capabilities to loads and stress considerations. The work is on aircraft dynamic loads in response to impulsive and non-impulsive excitation. The work extends the formulations of the mode-displacement and summation-of-forces methods to include modes with significant local distortions, and load modes. An abstract of the paper,'Structural Dynamic Loads in Response to Impulsive Excitation' is given in appendix B. Another work performed this year under the Grant was 'Size-Reduction Techniques for the Determination of Efficient Aeroservoelastic Models' given in Appendix C.

The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape*

PubMed Central

Carballido, Ana M.

2016-01-01

Plakins are large multi-domain proteins that interconnect cytoskeletal structures. Plectin is a prototypical plakin that tethers intermediate filaments to membrane-associated complexes. Most plakins contain a plakin domain formed by up to nine spectrin repeats (SR1–SR9) and an SH3 domain. The plakin domains of plectin and other plakins harbor binding sites for junctional proteins. We have combined x-ray crystallography with small angle x-ray scattering (SAXS) to elucidate the structure of the plakin domain of plectin, extending our previous analysis of the SR1 to SR5 region. Two crystal structures of the SR5-SR6 region allowed us to characterize its uniquely wide inter-repeat conformational variability. We also report the crystal structures of the SR7-SR8 region, refined to 1.8 Å, and the SR7–SR9 at lower resolution. The SR7–SR9 region, which is conserved in all other plakin domains, forms a rigid segment stabilized by uniquely extensive inter-repeat contacts mediated by unusually long helices in SR8 and SR9. Using SAXS we show that in solution the SR3–SR6 and SR7–SR9 regions are rod-like segments and that SR3–SR9 of plectin has an extended shape with a small central kink. Other plakins, such as bullous pemphigoid antigen 1 and microtubule and actin cross-linking factor 1, are likely to have similar extended plakin domains. In contrast, desmoplakin has a two-segment structure with a central flexible hinge. The continuous versus segmented structures of the plakin domains of plectin and desmoplakin give insight into how different plakins might respond to tension and transmit mechanical signals. PMID:27413182

LEED STUDY OF Ag(111)-(√ 7×√ 7)R19.1^o-4Ar

NASA Astrophysics Data System (ADS)

Caragiu, Mellita; Diehl, Renee D.; Leatherman, Gerry S.

2000-03-01

Recent LEED studies of the adsorption geometries of Xe and Kr on metal surfaces have indicated that, contrary to expectations, the low-coordination adsorption sites are generally preferred, even on relatively corrugated surfaces such as Cu(1\\overline 1 0). This study extends the range of this phenomenon to include Ar. On Ag(111), Ar can form a commensurate structure, Ag(111)-(√ 7×√ 7)R19.1^o-4Ar, if the step sites are first blocked by preadsorbing another species such as CO. A dynamical LEED analysis of this structure at 33K indicates that the structure includes one atom per unit cell on a top site and the remaining three on bridge sites. This structure is clearly preferred over ones in which hollow sites are occupied, providing evidence that the preference of noble gases atoms for low-coordination sites on metals extends to Ar.

Modelling zwitterions in solution: 3-fluoro-γ-aminobutyric acid (3F-GABA).

PubMed

Cao, Jie; Bjornsson, Ragnar; Bühl, Michael; Thiel, Walter; van Mourik, Tanja

2012-01-02

The conformations and relative stabilities of folded and extended 3-fluoro-γ-aminobutyric acid (3F-GABA) conformers were studied using explicit solvation models. Geometry optimisations in the gas phase with one or two explicit water molecules favour folded and neutral structures containing intramolecular NH···O-C hydrogen bonds. With three or five explicit water molecules zwitterionic minima are obtained, with folded structures being preferred over extended conformers. The stability of folded versus extended zwitterionic conformers increases on going from a PCM continuum solvation model to the microsolvated complexes, though extended structures become less disfavoured with the inclusion of more water molecules. Full explicit solvation was studied with a hybrid quantum-mechanical/molecular-mechanical (QM/MM) scheme and molecular dynamics simulations, including more than 6000 TIP3P water molecules. According to free energies obtained from thermodynamic integration at the PM3/MM level and corrected for B3LYP/MM total energies, the fully extended conformer is more stable than folded ones by about -4.5 kJ mol(-1). B3LYP-computed (3)J(F,H) NMR spin-spin coupling constants, averaged over PM3/MM-MD trajectories, agree best with experiment for this fully extended form, in accordance with the original NMR analysis. The seeming discrepancy between static PCM calculations and experiment noted previously is now resolved. That the inexpensive semiempirical PM3 method performs so well for this archetypical zwitterion is encouraging for further QM/MM studies of biomolecular systems. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Imagery of Sound

NASA Technical Reports Server (NTRS)

2000-01-01

Automated Analysis Corporation's COMET is a suite of acoustic analysis software for advanced noise prediction. It analyzes the origin, radiation, and scattering of noise, and supplies information on how to achieve noise reduction and improve sound characteristics. COMET's Structural Acoustic Foam Engineering (SAFE) module extends the sound field analysis capability of foam and other materials. SAFE shows how noise travels while airborne, how it travels within a structure, and how these media interact to affect other aspects of the transmission of noise. The COMET software reduces design time and expense while optimizing a final product's acoustical performance. COMET was developed through SBIR funding and Langley Research Center for Automated Analysis Corporation.

Computer modeling of electromagnetic problems using the geometrical theory of diffraction

NASA Technical Reports Server (NTRS)

Burnside, W. D.

1976-01-01

Some applications of the geometrical theory of diffraction (GTD), a high frequency ray optical solution to electromagnetic problems, are presented. GTD extends geometric optics, which does not take into account the diffractions occurring at edges, vertices, and various other discontinuities. Diffraction solutions, analysis of basic structures, construction of more complex structures, and coupling using GTD are discussed.

Who Does Critical Pedagogy Think You Are? Investigating How Teachers Are Produced in Critical Pedagogy Scholarship to Inform Teacher Education

ERIC Educational Resources Information Center

Pittard, Elizabeth

2015-01-01

In this post-structural feminist analysis, I review recent literature focusing on critical pedagogy to analyse the ways teachers are discursively produced within the sampled literature to ask: who does critical pedagogy think you are? Additionally, I extend earlier post-structural feminist critiques of critical pedagogy and underlying assumptions…

Frequency analysis for modulation-enhanced powder diffraction.

PubMed

Chernyshov, Dmitry; Dyadkin, Vadim; van Beek, Wouter; Urakawa, Atsushi

2016-07-01

Periodic modulation of external conditions on a crystalline sample with a consequent analysis of periodic diffraction response has been recently proposed as a tool to enhance experimental sensitivity for minor structural changes. Here the intensity distributions for both a linear and nonlinear structural response induced by a symmetric and periodic stimulus are analysed. The analysis is further extended for powder diffraction when an external perturbation changes not only the intensity of Bragg lines but also their positions. The derived results should serve as a basis for a quantitative modelling of modulation-enhanced diffraction data measured in real conditions.

Image Analysis of DNA Fiber and Nucleus in Plants.

PubMed

Ohmido, Nobuko; Wako, Toshiyuki; Kato, Seiji; Fukui, Kiichi

2016-01-01

Advances in cytology have led to the application of a wide range of visualization methods in plant genome studies. Image analysis methods are indispensable tools where morphology, density, and color play important roles in the biological systems. Visualization and image analysis methods are useful techniques in the analyses of the detailed structure and function of extended DNA fibers (EDFs) and interphase nuclei. The EDF is the highest in the spatial resolving power to reveal genome structure and it can be used for physical mapping, especially for closely located genes and tandemly repeated sequences. One the other hand, analyzing nuclear DNA and proteins would reveal nuclear structure and functions. In this chapter, we describe the image analysis protocol for quantitatively analyzing different types of plant genome, EDFs and interphase nuclei.

Shock wave structure in rarefied polyatomic gases with large relaxation time for the dynamic pressure

NASA Astrophysics Data System (ADS)

Taniguchi, Shigeru; Arima, Takashi; Ruggeri, Tommaso; Sugiyama, Masaru

2018-05-01

The shock wave structure in rarefied polyatomic gases is analyzed based on extended thermodynamics (ET). In particular, the case with large relaxation time for the dynamic pressure, which corresponds to large bulk viscosity, is considered by adopting the simplest version of extended thermodynamics with only 6 independent fields (ET6); the mass density, the velocity, the temperature and the dynamic pressure. Recently, the validity of the theoretical predictions by ET was confirmed by the numerical analysis based on the kinetic theory in [S Kosuge and K Aoki: Phys. Rev. Fluids, Vol. 3, 023401 (2018)]. It was shown that numerical results using the polyatomic version of ellipsoidal statistical model agree with the theoretical predictions by ET for small or moderately large Mach numbers. In the present paper, first, we compare the theoretical predictions by ET6 with the ones by kinetic theory for large Mach number under the same assumptions, that is, the gas is polytropic and the bulk viscosity is proportional to the temperature. Second, the shock wave structure for large Mach number in a non-polytropic gas is analyzed with the particular interest in the effect of the temperature dependence of specific heat and the bulk viscosity on the shock wave structure. Through the analysis of the case of a rarefied carbon dioxide (CO2) gas, it is shown that these temperature dependences play important roles in the precise analysis of the structure for strong shock waves.

Structural correlates of psychopathological symptom dimensions in schizophrenia: a voxel-based morphometric study.

PubMed

Koutsouleris, Nikolaos; Gaser, Christian; Jäger, Markus; Bottlender, Ronald; Frodl, Thomas; Holzinger, Silvia; Schmitt, Gisela J E; Zetzsche, Thomas; Burgermeister, Bernhard; Scheuerecker, Johanna; Born, Christine; Reiser, Maximilian; Möller, Hans-Jürgen; Meisenzahl, Eva M

2008-02-15

Structural neuroimaging has substantially advanced the neurobiological research of schizophrenia by describing a range of focal brain alterations as possible neuroanatomical underpinnings of the disease. Despite this progress, a considerable heterogeneity of structural findings persists that may reflect the phenomenological diversity of schizophrenia. It is unclear whether the range of possible clinical disease manifestations relates to a core structural brain deficit or to distinct structural correlates. Therefore, gray matter density (GMD) differences between 175 schizophrenic patients (SZ) and 177 matched healthy control subjects (HC) were examined in a three-step approach using cross-sectional and conjunctional voxel-based morphometry (VBM): (1) analysis of structural alterations irrespective of symptomatology; (2) subdivision of the patient sample according to a three-dimensional factor model of the PANSS and investigation of structural differences between these subsamples and healthy controls; (3) analysis of a common pattern of structural alterations present in all patient subsamples compared to healthy controls. Significant GMD reductions in patients compared to controls were identified within the prefrontal, limbic, paralimbic, temporal and thalamic regions. The disorganized symptom dimension was associated with bilateral alterations in temporal, insular and medial prefrontal cortices. Positive symptoms were associated with left-pronounced alterations in perisylvian regions and extended thalamic GMD losses. Negative symptoms were linked to the most extended alterations within orbitofrontal, medial prefrontal, lateral prefrontal and temporal cortices as well as limbic and subcortical structures. Thus, structural heterogeneity in schizophrenia may relate to specific patterns of GMD reductions that possibly share a common prefrontal-perisylvian pattern of structural brain alterations.

Detecting Multi-scale Structures in Chandra Images of Centaurus A

NASA Astrophysics Data System (ADS)

Karovska, M.; Fabbiano, G.; Elvis, M. S.; Evans, I. N.; Kim, D. W.; Prestwich, A. H.; Schwartz, D. A.; Murray, S. S.; Forman, W.; Jones, C.; Kraft, R. P.; Isobe, T.; Cui, W.; Schreier, E. J.

1999-12-01

Centaurus A (NGC 5128) is a giant early-type galaxy with a merger history, containing the nearest radio-bright AGN. Recent Chandra High Resolution Camera (HRC) observations of Cen A reveal X-ray multi-scale structures in this object with unprecedented detail and clarity. We show the results of an analysis of the Chandra data with smoothing and edge enhancement techniques that allow us to enhance and quantify the multi-scale structures present in the HRC images. These techniques include an adaptive smoothing algorithm (Ebeling et al 1999), and a multi-directional gradient detection algorithm (Karovska et al 1994). The Ebeling et al adaptive smoothing algorithm, which is incorporated in the CXC analysis s/w package, is a powerful tool for smoothing images containing complex structures at various spatial scales. The adaptively smoothed images of Centaurus A show simultaneously the high-angular resolution bright structures at scales as small as an arcsecond and the extended faint structures as large as several arc minutes. The large scale structures suggest complex symmetry, including a component possibly associated with the inner radio lobes (as suggested by the ROSAT HRI data, Dobereiner et al 1996), and a separate component with an orthogonal symmetry that may be associated with the galaxy as a whole. The dust lane and the x-ray ridges are very clearly visible. The adaptively smoothed images and the edge-enhanced images also suggest several filamentary features including a large filament-like structure extending as far as about 5 arcminutes to North-West.

Wavelet transform analysis of the small-scale X-ray structure of the cluster Abell 1367

NASA Technical Reports Server (NTRS)

Grebeney, S. A.; Forman, W.; Jones, C.; Murray, S.

1995-01-01

We have developed a new technique based on a wavelet transform analysis to quantify the small-scale (less than a few arcminutes) X-ray structure of clusters of galaxies. We apply this technique to the ROSAT position sensitive proportional counter (PSPC) and Einstein high-resolution imager (HRI) images of the central region of the cluster Abell 1367 to detect sources embedded within the diffuse intracluster medium. In addition to detecting sources and determining their fluxes and positions, we show that the wavelet analysis allows a characterization of the sources extents. In particular, the wavelet scale at which a given source achieves a maximum signal-to-noise ratio in the wavelet images provides an estimate of the angular extent of the source. To account for the widely varying point response of the ROSAT PSPC as a function of off-axis angle requires a quantitative measurement of the source size and a comparison to a calibration derived from the analysis of a Deep Survey image. Therefore, we assume that each source could be described as an isotropic two-dimensional Gaussian and used the wavelet amplitudes, at different scales, to determine the equivalent Gaussian Full Width Half-Maximum (FWHM) (and its uncertainty) appropriate for each source. In our analysis of the ROSAT PSPC image, we detect 31 X-ray sources above the diffuse cluster emission (within a radius of 24 min), 16 of which are apparently associated with cluster galaxies and two with serendipitous, background quasars. We find that the angular extents of 11 sources exceed the nominal width of the PSPC point-spread function. Four of these extended sources were previously detected by Bechtold et al. (1983) as 1 sec scale features using the Einstein HRI. The same wavelet analysis technique was applied to the Einstein HRI image. We detect 28 sources in the HRI image, of which nine are extended. Eight of the extended sources correspond to sources previously detected by Bechtold et al. Overall, using both the PSPC and the HRI observations, we detect 16 extended features, of which nine have galaxies coincided with the X-ray-measured positions (within the positional error circles). These extended sources have luminosities lying in the range (3 - 30) x 10(exp 40) ergs/s and gas masses of approximately (1 - 30) x 10(exp 9) solar mass, if the X-rays are of thermal origin. We confirm the presence of extended features in A1367 first reported by Bechtold et al. (1983). The nature of these systems remains uncertain. The luminosities are large if the emission is attributed to single galaxies, and several of the extended features have no associated galaxy counterparts. The extended features may be associated with galaxy groups, as suggested by Canizares, Fabbiano, & Trinchieri (1987), although the number required is large.

Programs for analysis and resizing of complex structures. [computerized minimum weight design

NASA Technical Reports Server (NTRS)

Haftka, R. T.; Prasad, B.

1978-01-01

The paper describes the PARS (Programs for Analysis and Resizing of Structures) system. PARS is a user oriented system of programs for the minimum weight design of structures modeled by finite elements and subject to stress, displacement, flutter and thermal constraints. The system is built around SPAR - an efficient and modular general purpose finite element program, and consists of a series of processors that communicate through the use of a data base. An efficient optimizer based on the Sequence of Unconstrained Minimization Technique (SUMT) with an extended interior penalty function and Newton's method is used. Several problems are presented for demonstration of the system capabilities.

Congenital disorder of glycosylation Ic due to a de novo deletion and an hALG-6 mutation.

PubMed

Eklund, Erik A; Sun, Liangwu; Yang, Samuel P; Pasion, Romela M; Thorland, Erik C; Freeze, Hudson H

2006-01-20

We describe a new cause of congenital disorder of glycosylation-Ic (CDG-Ic) in a young girl with a rather mild CDG phenotype. Her cells accumulated lipid-linked oligosaccharides lacking three glucose residues, and sequencing of the ALG6 gene showed what initially appeared to be a homozygous novel point mutation (338G>A). However, haplotype analysis showed that the patient does not carry any paternal DNA markers extending 33kb in the telomeric direction from the ALG6 region, and microsatellite analysis extended the abnormal region to at least 2.5Mb. We used high-resolution karyotyping to confirm a deletion (10-12Mb) [del(1)(p31.2p32.3)] and found no structural abnormalities in the father, suggesting a de novo event. Our findings extend the causes of CDG to larger DNA deletions and identify the first Japanese CDG-Ic mutation.

An all-FORTRAN version of NASTRAN for the VAX

NASA Technical Reports Server (NTRS)

Purves, L.

1981-01-01

All FORTRAN version of NASA structural analysis program NASATRAN is implemented on DEC VAX-series computer. Applications of NASATRAN extend to almost every type of linear structure and construction. Two special features are available in VAX version; program is executed from terminal in manner permitting use of VAX interactive debugger, and links are interactively restarted when desired by first making copy of all NASATRAN work files.

Load concentration due to missing members in planar faces of a large space truss

NASA Technical Reports Server (NTRS)

Waltz, J. E.

1979-01-01

A large space structure with members missing was investigated using a finite element analysis. The particular structural configuration was the tetrahedral truss, with attention restricted to one of its planar faces. Initially the finite element model of a complete face was verified by comparing it with known results for some basic loadings. Then an analysis was made of the structure with members near the center removed. Some calculations were made on the influence of the mesh size of a structure containing a hexagonal hole, and an analysis was also made of a structure with a rigid hexagonal insert. In general, load concentration effects in these trusses were significantly lower than classical stress concentration effects in an infinitely wide isotropic plate with a circular rigid inclusion, although larger effects were obtained when a hole extended over several rings of elements.

Extended local similarity analysis (eLSA) reveals unique associations between bacterial community structure and odor emission during pig carcasses decomposition.

PubMed

Ki, Bo-Min; Ryu, Hee Wook; Cho, Kyung-Suk

2018-02-22

Soil burial and composting methods have been widely used for the disposal of pig carcasses. The relationship between bacterial community structure and odor emission was examined using extended local similarity analysis (eLSA) during the degradation of pig carcasses in soil and compost. In soil, Hyphomicrobium, Niastella, Rhodanobacter, Polaromonas, Dokdonella and Mesorhizobium were associated with the emission of sulfur-containing odors such as hydrogen sulfide, methyl mercaptan and dimethyl disulfide. Sphingomonas, Rhodanobacter, Mesorhizobium, Dokdonella, Leucobacter and Truepera were associated with the emission of nitrogen-containing odors including ammonia and trimetylamine. In compost, however, Carnobacteriaceae, Lachnospiaceae and Clostridiales were highly correlated with the emission of sulfur-containing odors, while Rumincoccaceae was associated with the emission of nitrogen-containing odors. The emission of organic acids was closely related to Massilia, Sphaerobacter and Bradyrhizobiaceae in soil, but to Actinobacteria, Sporacetigenium, Micromonosporaceae and Solirubrobacteriales in compost. This study suggests that network analysis using eLSA is a useful strategy for exploring the mechanisms of odor emission during biodegradation of pig carcasses.

Structural Interface Forms and Their Involvement in Stabilization of Multidomain Proteins or Protein Complexes.

PubMed

Dygut, Jacek; Kalinowska, Barbara; Banach, Mateusz; Piwowar, Monika; Konieczny, Leszek; Roterman, Irena

2016-10-18

The presented analysis concerns the inter-domain and inter-protein interface in protein complexes. We propose extending the traditional understanding of the protein domain as a function of local compactness with an additional criterion which refers to the presence of a well-defined hydrophobic core. Interface areas in selected homodimers vary with respect to their contribution to share as well as individual (domain-specific) hydrophobic cores. The basic definition of a protein domain, i.e., a structural unit characterized by tighter packing than its immediate environment, is extended in order to acknowledge the role of a structured hydrophobic core, which includes the interface area. The hydrophobic properties of interfaces vary depending on the status of interacting domains-In this context we can distinguish: (1) Shared hydrophobic cores (spanning the whole dimer); (2) Individual hydrophobic cores present in each monomer irrespective of whether the dimer contains a shared core. Analysis of interfaces in dystrophin and utrophin indicates the presence of an additional quasi-domain with a prominent hydrophobic core, consisting of fragments contributed by both monomers. In addition, we have also attempted to determine the relationship between the type of interface (as categorized above) and the biological function of each complex. This analysis is entirely based on the fuzzy oil drop model.

76 FR 81002 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-27

... until June 30, 2012. C2 believes that extending the Pilot Program will allow for further analysis of the Pilot Program and a determination of how the Pilot Program should be structured in the future. During... of the six-month analysis. Thus, a replacement class to be added on the second trading following...

Derivation of improved load transformation matrices for launchers-spacecraft coupled analysis, and direct computation of margins of safety

NASA Technical Reports Server (NTRS)

Klein, M.; Reynolds, J.; Ricks, E.

1989-01-01

Load and stress recovery from transient dynamic studies are improved upon using an extended acceleration vector in the modal acceleration technique applied to structural analysis. Extension of the normal LTM (load transformation matrices) stress recovery to automatically compute margins of safety is presented with an application to the Hubble space telescope.

Composite membrane with integral rim

DOEpatents

Routkevitch, Dmitri; Polyakov, Oleg G

2015-01-27

Composite membranes that are adapted for separation, purification, filtration, analysis, reaction and sensing. The composite membranes can include a porous support structure having elongate pore channels extending through the support structure. The composite membrane also includes an active layer comprising an active layer material, where the active layer material is completely disposed within the pore channels between the surfaces of the support structure. The active layer is intimately integrated within the support structure, thus enabling great robustness, reliability, resistance to mechanical stress and thermal cycling, and high selectivity. Methods for the fabrication of composite membranes are also provided.

Functional specificity of a Hox protein mediated by the recognition of minor groove structure.

PubMed

Joshi, Rohit; Passner, Jonathan M; Rohs, Remo; Jain, Rinku; Sosinsky, Alona; Crickmore, Michael A; Jacob, Vinitha; Aggarwal, Aneel K; Honig, Barry; Mann, Richard S

2007-11-02

The recognition of specific DNA-binding sites by transcription factors is a critical yet poorly understood step in the control of gene expression. Members of the Hox family of transcription factors bind DNA by making nearly identical major groove contacts via the recognition helices of their homeodomains. In vivo specificity, however, often depends on extended and unstructured regions that link Hox homeodomains to a DNA-bound cofactor, Extradenticle (Exd). Using a combination of structure determination, computational analysis, and in vitro and in vivo assays, we show that Hox proteins recognize specific Hox-Exd binding sites via residues located in these extended regions that insert into the minor groove but only when presented with the correct DNA sequence. Our results suggest that these residues, which are conserved in a paralog-specific manner, confer specificity by recognizing a sequence-dependent DNA structure instead of directly reading a specific DNA sequence.

Lateral Structure Formation in Polyelectrolyte Brushes Induced by Multivalent Ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brettmann, Blair; Pincus, Philip; Tirrell, Matthew

2017-01-13

We provide a theoretical model for the collapse of polyelectrolyte brushes in the presence of multivalent ions, focusing on the formation of lateral inhomogeneties in the collapsed state. Polyelectrolyte brushes are important in a variety of applications, including stabilizing colloidal particles and lubricating surfaces. Many uses rely on the extension of the densely grafted polymer chains from the surface in the extended brush morphology. In the presence Extended Brush of multivalent ions, brushes are significantly shorter than in monovalent ionic solutions, which greatly affects their properties. We base our theoretical analysis on an analogous collapse of polyelectrolyte brushes in amore » poor solvent, providing an energy balance representation for pinned micelles and cylindrical bundles. The equilibrium brush heights predicted for these structures are of a similar magnitude to those measured experimentally. The formation of lateral structures can open new avenues for stimuli-responsive applications that rely on nanoscale pattern formation on surfaces.« less

Mineral exploration potential of ERTS-1 data

NASA Technical Reports Server (NTRS)

Brewer, W. A. (Principal Investigator); Erskine, M. C., Jr.; Prindle, R. O.

1972-01-01

The author has identified the following significant results. Preliminary analysis of a mosaic composing eight individual ERTS frames (1:1,000,000) extending well beyond the test site has revealed a number of tectonic structural trends that are controlled by regional lineations. So far most of the regional lineations fall into three general directions: east by northeast, northwest, and north-south. From preliminary examination, it appears that the older Precambrian basement predominates in the NE-bearing structural trends, whereas the predominate NW trend is most likely associated with the Texas Structural Zone, and the north-south trend being the Utah-Arizona belt and/or part of the southern Basin and Range Province. One major lineation, made up of many parallel lineations, is noticeable just north of Lake Pleasant which extends for approximately 100 miles in a northern direction out of the target area. This feature corresponds to a Precambrian schist formation shown on the USGS geologic map of Arizona.

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass

NASA Astrophysics Data System (ADS)

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-01

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant CQ ∝ |Vzz| and the asymmetry parameter ηQ that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass.

PubMed

Vasconcelos, Filipe; Cristol, Sylvain; Paul, Jean-François; Delevoye, Laurent; Mauri, Francesco; Charpentier, Thibault; Le Caër, Gérard

2013-06-26

The extended Czjzek model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, NaPO3) obtained by molecular dynamics (MD) simulations. Accurate NMR tensors, electric field gradient (EFG) and chemical shift anisotropy (CSA) are calculated from density functional theory (DFT) within the well-established PAW/GIPAW framework. The theoretical results are compared to experimental high-resolution solid-state NMR data and are used to validate the considered structural model. The distributions of the calculated coupling constant C(Q) is proportional to |V(zz)| and the asymmetry parameter η(Q) that characterize the quadrupolar interaction are discussed in terms of structural considerations with the help of a simple point charge model. Finally, the ECM analysis is shown to be relevant for studying the distribution of CSA tensor parameters and gives new insight into the structural characterization of disordered systems by solid-state NMR.

Characterization of the amino acid contribution to the folding degree of proteins.

PubMed

Estrada, Ernesto

2004-03-01

The folding degree index (Estrada, Bioinformatics 2002;18:697-704) is extended to account for the contribution of amino acids to folding. First, the mathematical formalism for extending the folding degree index is presented. Then, the amino acid contributions to folding degree of several proteins are used to analyze its relation to secondary structure. The possibilities of using these contributions in helping or checking the assignation of secondary structure to amino acids are also introduced. The influence of external factors to the amino acids contribution to folding degree is studied through the temperature effect on ribonuclease A. Finally, the analysis of 3D protein similarity through the use of amino acid contributions to folding degree is studied by selecting a series of lysozymes. These results are compared to that obtained by sequence alignment (2D similarity) and 3D superposition of the structures, showing the uniqueness of the current approach. Copyright 2004 Wiley-Liss, Inc.

Comparative thermal analysis of the Space Station Freedom photovoltaic deployable boom structure using TRASYS, NEVADA, and SINDA programs

NASA Technical Reports Server (NTRS)

Baumeister, Joseph F.; Beach, Duane E.; Armand, Sasan C.

1989-01-01

The proposed Space Station Photovoltaic Deployable Boom was analyzed for operating temperatures. The boom glass/epoxy structure design needs protective shielding from environmental degradation. The protective shielding optical properties (solar absorptivity and emissivity) dictate the operating temperatures of the boom components. The Space Station Boom protective shielding must also withstand the effects of the extendible/retractable coiling acting within the mast canister. A thermal analysis method was developed for the Space Station Deployable Boom to predict transient temperatures for a variety of surface properties. The modeling procedures used to evaluate temperatures within the boom structure incorporated the TRASYS, NEVADA, and SINDA thermal analysis programs. Use of these programs led to a comparison between TRASYS and NEVADA analysis methods. Comparing TRASYS and NEVADA results exposed differences in the environmental solar flux predictions.

Comparative thermal analysis of the space station Freedom photovoltaic deployable boom structure using TRASYS, NEVADA, and SINDA programs

NASA Technical Reports Server (NTRS)

Baumeister, Joseph F.; Beach, Duane E.; Armand, Sasan C.

1989-01-01

The proposed Space Station Photovoltaic Deployable Boom was analyzed for operating temperatures. The boom glass/epoxy structure design needs protective shielding from environmental degradation. The protective shielding optical properties (solar absorptivity and emissivity) dictate the operating temperatures of the boom components. The Space Station Boom protective shielding must also withstand the effects of the extendible/retractable coiling action within the mast canister. A thermal analysis method was developed for the Space Station Deployable Boom to predict transient temperatures for a variety of surface properties. The modeling procedures used to evaluate temperatures within the boom structure incorporated the TRASYS, NEVADA, and SINDA thermal analysis programs. Use of these programs led to a comparison between TRASYS and NEVADA analysis methods. Comparing TRASYS and NEVADA results exposed differences in the environmental solar flux predictions.

RDNAnalyzer: A tool for DNA secondary structure prediction and sequence analysis.

PubMed

Afzal, Muhammad; Shahid, Ahmad Ali; Shehzadi, Abida; Nadeem, Shahid; Husnain, Tayyab

2012-01-01

RDNAnalyzer is an innovative computer based tool designed for DNA secondary structure prediction and sequence analysis. It can randomly generate the DNA sequence or user can upload the sequences of their own interest in RAW format. It uses and extends the Nussinov dynamic programming algorithm and has various application for the sequence analysis. It predicts the DNA secondary structure and base pairings. It also provides the tools for routinely performed sequence analysis by the biological scientists such as DNA replication, reverse compliment generation, transcription, translation, sequence specific information as total number of nucleotide bases, ATGC base contents along with their respective percentages and sequence cleaner. RDNAnalyzer is a unique tool developed in Microsoft Visual Studio 2008 using Microsoft Visual C# and Windows Presentation Foundation and provides user friendly environment for sequence analysis. It is freely available. http://www.cemb.edu.pk/sw.html RDNAnalyzer - Random DNA Analyser, GUI - Graphical user interface, XAML - Extensible Application Markup Language.

Random vectors and spatial analysis by geostatistics for geotechnical applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, D.S.

1987-08-01

Geostatistics is extended to the spatial analysis of vector variables by defining the estimation variance and vector variogram in terms of the magnitude of difference vectors. Many random variables in geotechnology are in vectorial terms rather than scalars, and its structural analysis requires those sample variable interpolations to construct and characterize structural models. A better local estimator will result in greater quality of input models; geostatistics can provide such estimators; kriging estimators. The efficiency of geostatistics for vector variables is demonstrated in a case study of rock joint orientations in geological formations. The positive cross-validation encourages application of geostatistics tomore » spatial analysis of random vectors in geoscience as well as various geotechnical fields including optimum site characterization, rock mechanics for mining and civil structures, cavability analysis of block cavings, petroleum engineering, and hydrologic and hydraulic modelings.« less

Assessing the multidimensional and hierarchical structure of SERVQUAL.

PubMed

Ma, Jun; Harvey, Milton E; Hu, Michael Y

2007-10-01

Parasuraman, Zeithaml, and Berry introduced SERVQUAL in 1998 as a scale to measure service quality. Since then, researchers have proposed several variations. This study examines the development of the tool. Marketing researchers have first challenged the conceptualization of a perceptions-expectations gap and have concluded that the performance-based measures are adequate to capture consumers' perception of service quality. Some researchers have argued that the five dimensions of the SERVQUAL scale only focus on the process of service delivery and have extended the SERVQUAL scale into six dimensions by including the service outcome dimension. Others have proposed that service quality is a multilevel construct and should be measured accordingly. From a sample of 467 undergraduate students data on service quality toward up-scale restaurants were collected. Using the structural equation approach, two measurement models of service quality were compared, the extended SERVQUAL model and the restructured multilevel SERVQUAL model. Analysis suggested that the latter model fits the data better than the extended one.

Advancing Scientific Reasoning in Upper Elementary Classrooms: Direct Instruction Versus Task Structuring

NASA Astrophysics Data System (ADS)

Lazonder, Ard W.; Wiskerke-Drost, Sjanou

2015-02-01

Several studies found that direct instruction and task structuring can effectively promote children's ability to design unconfounded experiments. The present study examined whether the impact of these interventions extends to other scientific reasoning skills by comparing the inquiry activities of 55 fifth-graders randomly assigned to one of three conditions. Children in the control condition investigated a four-variable inquiry task without additional support. Performance of this task in the direct instruction condition was preceded by a short training in experimental design, whereas children in the task structuring condition, who did not receive the introductory training, were given a version of the task that addressed the four variables one at a time. Analysis of children's experimentation behavior confirmed that direct instruction and task structuring are equally effective and superior to unguided inquiry. Both interventions also evoked more determinate predictions and valid inferences. These findings demonstrate that the effect of short-term interventions designed to promote unconfounded experimentation extends beyond the control of variables.

[Cloning and bioinformatic analysis and expression analysis of beta-glucuronidase in Scutellaria baicalensis].

PubMed

Guo, Shuang-shuang; Cheng, Lin; Yang, Li-min; Han, Mei

2015-11-01

The β-Glucuronidase gene (sbGUS) cDNA firstly from Scutellari abaicalensis leaf was cloned by RT-PCR, with GenBank accession number KR364726. The full length cDNA of sbGUS was 1 584 bp with an open reading frame (ORF), encoding an unstable protein with 527 amino acids. The bioinformatic analysis showed that the sbGUS encoding protein had isoelectric point (pI) of 5.55 and a calculated molecular weight about 58.724 8 kDa, with a transmembrane regions and signal peptide, had conserved domains of glycoside hydrolase super family and unintegrated trans-glycosidase catalytic structure. In the secondary structure, the percentage of alpha helix, extended strand, β-extended and random coil were 25.62%, 28.84%, 13.28% and 32.26%, respectively. The homologous analysis indicated the nucleotide sequence 98.93% similarity and the amino acid sequence 98.29% similarity with S. baicalensis (BAA97804.1), in the nine positions were different. The expression level of sGUS was the highest in root based on a real-time PCR analysis, followed by flower and stem, and the lowest was in stem. The results provide a foundation for exploring the molecular function of sbGUS involved in baicalcin biosynthesis based on synthetic biology approach in S. baicalensis plants.

NBO analysis and vibrational frequencies of tautomers of citrinin by density functional theory

USDA-ARS?s Scientific Manuscript database

Citrinin is a toxic polyketide contaminant of a number of agricultural commodities, notably Monascus-fermented red rice. Detailed structures and electronic properties of three tautomeric forms of citrinin were investigated using density functional theory calculations at various extended basis sets ...

Improved hydrophilic interaction chromatography LC/MS of heparinoids using a chip with postcolumn makeup flow.

PubMed

Staples, Gregory O; Naimy, Hicham; Yin, Hongfeng; Kileen, Kevin; Kraiczek, Karsten; Costello, Catherine E; Zaia, Joseph

2010-01-15

Heparan sulfate (HS) and heparin are linear, heterogeneous carbohydrates of the glycosaminoglycan (GAG) family that are modified by N-acetylation, N-sulfation, O-sulfation, and uronic acid epimerization. HS interacts with growth factors in the extracellular matrix, thereby modulating signaling pathways that govern cell growth, development, differentiation, proliferation, and adhesion. High-performance liquid chromatography (HPLC)-chip-based hydrophilic interaction liquid chromatography/mass spectrometry has emerged as a method for analyzing the domain structure of GAGs. However, analysis of highly sulfated GAG structures decasaccharide or larger in size has been limited by spray instability in the negative-ion mode. This report demonstrates that addition of postcolumn makeup flow to the amide-HPLC-chip configuration permits robust and reproducible analysis of extended GAG domains (up to degree of polymerization 18) from HS and heparin. This platform provides quantitative information regarding the oligosaccharide profile, degree of sulfation, and nonreducing chain termini. It is expected that this technology will enable quantitative, comparative glycomics profiling of extended GAG oligosaccharide domains of functional interest.

Western North Pacific Tropical Cyclone Formation and Structure Change in TCS-08

DTIC Science & Technology

2011-09-30

cyclones often transition to a fast-moving and rapidly- developing extratropical cyclone that may contain gale-, storm -, or hurricane-force winds... storm begins the process of extratropical transition have revealed the role of vertical wind shear in defining structural variations related to the...horizontal wind radii as the storm starts the process of extratropical transition. Elsberry et al. (2011) have extended the analysis of the

Synthesis, crystal structure, and luminescent properties of two coordination polymers based on 1,4-phenylenediacetic acid

NASA Astrophysics Data System (ADS)

Zhang, Meili; Ren, Yixia; Ma, Zhenzhen; Qiao, Lei

2017-06-01

Two coordination polymers, [Zn(pda)(bib)]n (1) and [Cd(pda)0.5(bib)Cl]n (2)]. (H2pda = 1,4-phenylenediacetic acid, bib = 1,2-bis(imidazol-1-ylmethyl)benzene), have been synthesized by using Zn(II)/Cd(II) salts with two flexible ligands pda and bib under hydrothermal conditions. Their structures have been characterized by elemental analysis, IR spectroscopy, single-crystal X-ray crystallography and powder X-ray diffraction (PXRD) analysis. Due to the coordination geometry around the metal ions and the diverse coordination modes of the flexible ligands, the obtained complex show diverse structures. In the structure of 1, a pair of bib ligands connect two Zn(II) atoms give rise a 22-membered ring, which is further extended by pda ligands in bidentate coordination mode leading a ring-containing 2D layer. In 2, bib ligands join [Cd2Cl2]2+ dimmers generate 1D polymeric ribbon, the pda ligands further extend such ribbon forming a 2D layer network containing rectangular windows, which discovers the effect of the central metal ions on the formation of metal-organic frameworks. In additional, luminescent properties of two complexes have also been studied, they could be potential fluorescence materials.

Extended generalized recurrence plot quantification of complex circular patterns

NASA Astrophysics Data System (ADS)

Riedl, Maik; Marwan, Norbert; Kurths, Jürgen

2017-03-01

The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing patterns, turbulent spatial plankton patterns, and fractals. Determinism is a central measure in this framework quantifying the level of regularity of spatial structures. We show by basic examples of fully regular patterns of different symmetries that this measure underestimates the orderliness of circular patterns resulting from rotational symmetries. We overcome this crucial problem by checking additional structural elements of the generalized recurrence plot which is demonstrated with the examples. Furthermore, we show the potential of the extended quantity of determinism applying it to more irregular circular patterns which are generated by the complex Ginzburg-Landau-equation and which can be often observed in real spatially extended dynamical systems. So, we are able to reconstruct the main separations of the system's parameter space analyzing single snapshots of the real part only, in contrast to the use of the original quantity. This ability of the proposed method promises also an improved description of other systems with complicated spatio-temporal dynamics typically occurring in fluid dynamics, climatology, biology, ecology, social sciences, etc.

Initial postbuckling analysis of elastoplastic thin-shear structures

NASA Technical Reports Server (NTRS)

Carnoy, E. G.; Panosyan, G.

1984-01-01

The design of thin shell structures with respect to elastoplastic buckling requires an extended analysis of the influence of initial imperfections. For conservative design, the most critical defect should be assumed with the maximum allowable magnitude. This defect is closely related to the initial postbuckling behavior. An algorithm is given for the quasi-static analysis of the postbuckling behavior of structures that exhibit multiple buckling points. the algorithm based upon an energy criterion allows the computation of the critical perturbation which will be employed for the definition of the critical defect. For computational efficiency, the algorithm uses the reduced basis technique with automatic update of the modal basis. The method is applied to the axisymmetric buckling of cylindrical shells under axial compression, and conclusions are given for future research.

Organic chemistry as a language and the implications of chemical linguistics for structural and retrosynthetic analyses.

PubMed

Cadeddu, Andrea; Wylie, Elizabeth K; Jurczak, Janusz; Wampler-Doty, Matthew; Grzybowski, Bartosz A

2014-07-28

Methods of computational linguistics are used to demonstrate that a natural language such as English and organic chemistry have the same structure in terms of the frequency of, respectively, text fragments and molecular fragments. This quantitative correspondence suggests that it is possible to extend the methods of computational corpus linguistics to the analysis of organic molecules. It is shown that within organic molecules bonds that have highest information content are the ones that 1) define repeat/symmetry subunits and 2) in asymmetric molecules, define the loci of potential retrosynthetic disconnections. Linguistics-based analysis appears well-suited to the analysis of complex structural and reactivity patterns within organic molecules. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modern CACSD using the Robust-Control Toolbox

NASA Technical Reports Server (NTRS)

Chiang, Richard Y.; Safonov, Michael G.

1989-01-01

The Robust-Control Toolbox is a collection of 40 M-files which extend the capability of PC/PRO-MATLAB to do modern multivariable robust control system design. Included are robust analysis tools like singular values and structured singular values, robust synthesis tools like continuous/discrete H(exp 2)/H infinity synthesis and Linear Quadratic Gaussian Loop Transfer Recovery methods and a variety of robust model reduction tools such as Hankel approximation, balanced truncation and balanced stochastic truncation, etc. The capabilities of the toolbox are described and illustated with examples to show how easily they can be used in practice. Examples include structured singular value analysis, H infinity loop-shaping and large space structure model reduction.

Exploring extended scope of practice in dietetics: A systems approach.

PubMed

Ryan, Dominique; Pelly, Fiona; Purcell, Elizabeth

2017-09-01

The aim of this study was to explore health professionals' perceptions of an extended scope of a practice clinic, and develop a framework using a systems approach to facilitate extended scope models across various health settings. A qualitative investigation using semi-structured interviews with four health professionals involved in an extended scope dietitian-led gastroenterology clinic in a hospital in regional Queensland was conducted. A case study design was utilised to investigate interviewees' perceptions of the clinic. Participants were conveniently, purposively sampled. Transcript analysis involved a descriptive analytical approach. Interviewee responses were coded and categorised into themes, and investigator triangulation was used to ensure consistency between individual analyses. A secondary interpretative analysis was conducted where relationships between key themes were mapped to the Systems Engineering Initiative for Patient Safety work system model. Interviewees identified various factors as vital inputs to the work system. These were categorised into the four key elements: stakeholder support, resources, planning and the dietitian. Clinic outcomes were categorised into the impact on four key groups: patients, the dietitian, the multidisciplinary team and the health system. Mapping of the relationships between inputs and outcomes resulted in an implementation framework for extended scope of practice. Extended scope of practice in dietetics may provide positive outcomes for various stakeholders. However, further development of extended scope roles for dietitians requires increased advocacy and support from governments, professional bodies, training institutions and dietitians. We have developed an implementation framework which can be utilised by health professionals interested in embracing an extended scope model of care. © 2016 Dietitians Association of Australia.

Digital Speckle Photography of Subpixel Displacements of Speckle Structures Based on Analysis of Their Spatial Spectra

NASA Astrophysics Data System (ADS)

Maksimova, L. A.; Ryabukho, P. V.; Mysina, N. Yu.; Lyakin, D. V.; Ryabukho, V. P.

2018-04-01

We have investigated the capabilities of the method of digital speckle interferometry for determining subpixel displacements of a speckle structure formed by a displaceable or deformable object with a scattering surface. An analysis of spatial spectra of speckle structures makes it possible to perform measurements with a subpixel accuracy and to extend the lower boundary of the range of measurements of displacements of speckle structures to the range of subpixel values. The method is realized on the basis of digital recording of the images of undisplaced and displaced speckle structures, their spatial frequency analysis using numerically specified constant phase shifts, and correlation analysis of spatial spectra of speckle structures. Transformation into the frequency range makes it possible to obtain quantities to be measured with a subpixel accuracy from the shift of the interference-pattern minimum in the diffraction halo by introducing an additional phase shift into the complex spatial spectrum of the speckle structure or from the slope of the linear plot of the function of accumulated phase difference in the field of the complex spatial spectrum of the displaced speckle structure. The capabilities of the method have been investigated in natural experiment.

Student Effort and Performance over the Semester

ERIC Educational Resources Information Center

Krohn, Gregory A.; O'Connor, Catherine M.

2005-01-01

The authors extend the standard education production function and student time allocation analysis to focus on the interactions between student effort and performance over the semester. The purged instrumental variable technique is used to obtain consistent estimators of the structural parameters of the model using data from intermediate…

FAST Mast Structural Response to Axial Loading: Modeling and Verification

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Elliott, Kenny B.; Templeton, Justin D.; Song, Kyongchan; Rayburn, Jeffery T.

2012-01-01

The International Space Station s solar array wing mast shadowing problem is the focus of this paper. A building-block approach to modeling and analysis is pursued for the primary structural components of the solar array wing mast structure. Starting with an ANSYS (Registered Trademark) finite element model, a verified MSC.Nastran (Trademark) model is established for a single longeron. This finite element model translation requires the conversion of several modeling and analysis features for the two structural analysis tools to produce comparable results for the single-longeron configuration. The model is then reconciled using test data. The resulting MSC.Nastran (Trademark) model is then extended to a single-bay configuration and verified using single-bay test data. Conversion of the MSC. Nastran (Trademark) single-bay model to Abaqus (Trademark) is also performed to simulate the elastic-plastic longeron buckling response of the single bay prior to folding.

Structural Analysis of Composite Flywheels: an Integrated NDE and FEM Approach

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George; Trudell, Jeffrey

2001-01-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake-like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 48,000 rpm for rotor A and 34,000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

Assessment of technical condition of concrete pavement by the example of district road

NASA Astrophysics Data System (ADS)

Linek, M.; Nita, P.; Żebrowski, W.; Wolka, P.

2018-05-01

The article presents the comprehensive assessment of concrete pavement condition. Analyses included the district road located in the swietokrzyskie province, used for 11 years. Comparative analyses were conducted twice. The first analysis was carried out after 9 years of pavement operation, in 2015. In order to assess the extent of pavement degradation, the tests were repeated in 2017. Within the scope of field research, the traffic intensity within the analysed road section was determined. Visual assessment of pavement condition was conducted, according to the guidelines included in SOSN-B. Visual assessment can be extended by ground-penetrating radar measurements which allow to provide comprehensive assessment of the occurred structure changes within its entire thickness and length. The assessment included also performance parameters, i.e. pavement regularity, surface roughness and texture. Extension of test results by the assessment of changes in internal structure of concrete composite and structure observations by means of Scanning Electron Microscope allow for the assessment of parameters of internal structure of hardened concrete. Supplementing the observations of internal structure by means of computed tomography scan provides comprehensive information of possible discontinuities and composite structure. According to the analysis of the obtained results, conclusions concerning the analysed pavement condition were reached. It was determined that the pavement is distinguished by high performance parameters, its condition is good and it does not require any repairs. Maintenance treatment was suggested in order to extend the period of proper operation of the analysed pavement.

Sulfur K-edge extended X-ray absorption fine structure spectroscopy of homoleptic thiolato complexes with Zn(II) and Cd(II).

PubMed

Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Fujita, Mitsuharu; Ohashi, Tetuya; Amir, Nagina; Miyashita, Yoshitaro; Aika, Ken-Ichi; Izumi, Yasuo; Okamoto, Ken-Ichi

2006-02-01

The sulfur K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy is applied to homoleptic thiolato complexes with Zn(II) and Cd(II), (Et(4)N)[Zn(SAd)(3)] (1), (Et(4)N)(2)[{Zn(ScHex)(2)}(2)(mu-ScHex)(2)] (2), (Et(4)N)(2)[{Cd(ScHex)(2)}(2)(mu-ScHex)(2)] (3), (Et(4)N)(2)[{Cd(ScHex)}(4)(mu-ScHex)(6)] (4), [Zn(mu-SAd)(2)](n) (5), and [Cd(mu-SAd)(2)](n) (6) (HSAd=1-adamantanethiol, HScHex=cyclohexanethiol). The EXAFS results are consistent with the X-ray crystal data of 1-4. The structures of 5 and 6, which have not been determined by X-ray crystallography, are proposed to be polynuclear structures on the basis of the sulfur K-edge EXAFS, far-IR spectra, and elemental analysis. Clear evidences of the S...S interactions (between bridging atoms or neighboring sulfur atoms) and the S...C(far) interactions (in which C(far) atom is next to carbon atom directly bonded to sulfur atom) were observed in the EXAFS data for all complexes and thus lead to the reliable determination of the structures of 5 and 6 in combination with conventional zinc K-edge EXAFS analysis for 5. This new methodology, sulfur K-edge EXAFS, could be applied for the structural determination of in vivo metalloproteins as well as inorganic compounds.

Principal Component Analysis Based Measure of Structural Holes

NASA Astrophysics Data System (ADS)

Deng, Shiguo; Zhang, Wenqing; Yang, Huijie

2013-02-01

Based upon principal component analysis, a new measure called compressibility coefficient is proposed to evaluate structural holes in networks. This measure incorporates a new effect from identical patterns in networks. It is found that compressibility coefficient for Watts-Strogatz small-world networks increases monotonically with the rewiring probability and saturates to that for the corresponding shuffled networks. While compressibility coefficient for extended Barabasi-Albert scale-free networks decreases monotonically with the preferential effect and is significantly large compared with that for corresponding shuffled networks. This measure is helpful in diverse research fields to evaluate global efficiency of networks.

Structure and Dynamics of Interfaces: Drops and Films

NASA Technical Reports Server (NTRS)

Mann, J. Adin, Jr.; Mann, Elizabeth K.; Meyer, William V.; Neumann, A. Wilhelm; Tavana, Hossein

2015-01-01

We aim to acquire measurements of the structure and dynamics of certain liquid-fluid interfaces using an ensemble of techniques in collaboration: (1) Total internal reflection (TIR) Surface light scattering spectroscopy (SLSS), (2) Brewster angle microscopy (BAM), and (3) Drop-shape analysis. SLSS and BAM can be done on a shared interfacial footprint. Results using a 50-50 mixture of pentane-isohexane, which extends the range of NASA's Confined Vapor Bubble (CVB) experiment, yield surface tension results that differ from the expected Langmuir Fit. These results were confirmed using both the SLSS and drop-shape analysis approaches.

Probabilistic simulation of uncertainties in thermal structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Shiao, Michael

1990-01-01

Development of probabilistic structural analysis methods for hot structures is a major activity at Lewis Research Center. It consists of five program elements: (1) probabilistic loads; (2) probabilistic finite element analysis; (3) probabilistic material behavior; (4) assessment of reliability and risk; and (5) probabilistic structural performance evaluation. Recent progress includes: (1) quantification of the effects of uncertainties for several variables on high pressure fuel turbopump (HPFT) blade temperature, pressure, and torque of the Space Shuttle Main Engine (SSME); (2) the evaluation of the cumulative distribution function for various structural response variables based on assumed uncertainties in primitive structural variables; (3) evaluation of the failure probability; (4) reliability and risk-cost assessment, and (5) an outline of an emerging approach for eventual hot structures certification. Collectively, the results demonstrate that the structural durability/reliability of hot structural components can be effectively evaluated in a formal probabilistic framework. In addition, the approach can be readily extended to computationally simulate certification of hot structures for aerospace environments.

Understanding Nomophobia: Structural Equation Modeling and Semantic Network Analysis of Smartphone Separation Anxiety.

PubMed

Han, Seunghee; Kim, Ki Joon; Kim, Jang Hyun

2017-07-01

This study explicates nomophobia by developing a research model that identifies several determinants of smartphone separation anxiety and by conducting semantic network analyses on smartphone users' verbal descriptions of the meaning of their smartphones. Structural equation modeling of the proposed model indicates that personal memories evoked by smartphones encourage users to extend their identity onto their devices. When users perceive smartphones as their extended selves, they are more likely to get attached to the devices, which, in turn, leads to nomophobia by heightening the phone proximity-seeking tendency. This finding is also supplemented by the results of the semantic network analyses revealing that the words related to memory, self, and proximity-seeking are indeed more frequently used in the high, compared with low, nomophobia group.

Recent Updates to the CFD General Notation System (CGNS)

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.; Wedan, Bruce; Hauser, Thomas; Poinot, Marc

2012-01-01

The CFD General Notation System (CGNS) - a general, portable, and extensible standard for the storage and retrieval of computational fluid dynamics (CFD) analysis data has been in existence for more than a decade (Version 1.0 was released in May 1998). Both structured and unstructured CFD data are covered by the standard, and CGNS can be easily extended to cover any sort of data imaginable, while retaining backward compatibility with existing CGNS data files and software. Although originally designed for CFD, it is readily extendable to any field of computational analysis. In early 2011, CGNS Version 3.1 was released, which added significant capabilities. This paper describes these recent enhancements and highlights the continued usefulness of the CGNS methodology.

Generalized Structured Component Analysis with Uniqueness Terms for Accommodating Measurement Error

PubMed Central

Hwang, Heungsun; Takane, Yoshio; Jung, Kwanghee

2017-01-01

Generalized structured component analysis (GSCA) is a component-based approach to structural equation modeling (SEM), where latent variables are approximated by weighted composites of indicators. It has no formal mechanism to incorporate errors in indicators, which in turn renders components prone to the errors as well. We propose to extend GSCA to account for errors in indicators explicitly. This extension, called GSCAM, considers both common and unique parts of indicators, as postulated in common factor analysis, and estimates a weighted composite of indicators with their unique parts removed. Adding such unique parts or uniqueness terms serves to account for measurement errors in indicators in a manner similar to common factor analysis. Simulation studies are conducted to compare parameter recovery of GSCAM and existing methods. These methods are also applied to fit a substantively well-established model to real data. PMID:29270146

Auroral Observations from the POLAR Ultraviolet Imager (UVI)

NASA Technical Reports Server (NTRS)

Germany, G. A.; Spann, J. F.; Parks, G. K.; Brittnacher, M. J.; Elsen, R.; Chen, L.; Lummerzheim, D.; Rees, M. H.

1998-01-01

Because of the importance of the auroral regions as a remote diagnostic of near-Earth plasma processes and magnetospheric structure, spacebased instrumentation for imaging the auroral regions have been designed and operated for the last twenty-five years. The latest generation of imagers, including those flown on the POLAR satellite, extends this quest for multispectral resolution by providing three separate imagers for the visible, ultraviolet, and X ray images of the aurora. The ability to observe extended regions allows imaging missions to significantly extend the observations available from in situ or groundbased instrumentation. The complementary nature of imaging and other observations is illustrated below using results from tile GGS Ultraviolet Imager (UVI). Details of the requisite energy and intensity analysis are also presented.

Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

DOE PAGES

Zhang, F. X.; Zhao, Shijun; Jin, Ke; ...

2017-05-19

Multi-element solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from the unique local structural characteristics. We measured the local structure of a NiCoCr solid solution alloy with X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) techniques. The atomic pair distribution function analysis (PDF) did not exhibit distinct structural distortion. But, EXAFS analysis suggested that the Cr atoms are favorably bonded with Ni and Co in the solid solution alloys. This short-range order (SRO) plays a role in the distinct low values of electrical and thermal conductivities in Ni-based solidmore » solution alloys when Cr is incorporated. Both the long-range and local structures of the NiCoCr alloy upon Ni ion irradiation were studied and an irradiation-induced enhancement of SRO was found.« less

Analysis of random structure-acoustic interaction problems using coupled boundary element and finite element methods

NASA Technical Reports Server (NTRS)

Mei, Chuh; Pates, Carl S., III

1994-01-01

A coupled boundary element (BEM)-finite element (FEM) approach is presented to accurately model structure-acoustic interaction systems. The boundary element method is first applied to interior, two and three-dimensional acoustic domains with complex geometry configurations. Boundary element results are very accurate when compared with limited exact solutions. Structure-interaction problems are then analyzed with the coupled FEM-BEM method, where the finite element method models the structure and the boundary element method models the interior acoustic domain. The coupled analysis is compared with exact and experimental results for a simplistic model. Composite panels are analyzed and compared with isotropic results. The coupled method is then extended for random excitation. Random excitation results are compared with uncoupled results for isotropic and composite panels.

The STAGS computer code

NASA Technical Reports Server (NTRS)

Almroth, B. O.; Brogan, F. A.

1978-01-01

Basic information about the computer code STAGS (Structural Analysis of General Shells) is presented to describe to potential users the scope of the code and the solution procedures that are incorporated. Primarily, STAGS is intended for analysis of shell structures, although it has been extended to more complex shell configurations through the inclusion of springs and beam elements. The formulation is based on a variational approach in combination with local two dimensional power series representations of the displacement components. The computer code includes options for analysis of linear or nonlinear static stress, stability, vibrations, and transient response. Material as well as geometric nonlinearities are included. A few examples of applications of the code are presented for further illustration of its scope.

Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) for a 3-D Flexible Wing

NASA Technical Reports Server (NTRS)

Gumbert, Clyde R.; Hou, Gene J.-W.

2001-01-01

The formulation and implementation of an optimization method called Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) are extended from single discipline analysis (aerodynamics only) to multidisciplinary analysis - in this case, static aero-structural analysis - and applied to a simple 3-D wing problem. The method aims to reduce the computational expense incurred in performing shape optimization using state-of-the-art Computational Fluid Dynamics (CFD) flow analysis, Finite Element Method (FEM) structural analysis and sensitivity analysis tools. Results for this small problem show that the method reaches the same local optimum as conventional optimization. However, unlike its application to the win,, (single discipline analysis), the method. as I implemented here, may not show significant reduction in the computational cost. Similar reductions were seen in the two-design-variable (DV) problem results but not in the 8-DV results given here.

Raman structural studies of the nickel electrode

NASA Technical Reports Server (NTRS)

Cornilsen, Bahne C.

1994-01-01

The objectives of this investigation have been to define the structures of charged active mass, discharged active mass, and related precursor materials (alpha-phases), with the purpose of better understanding the chemical and electrochemical reactions, including failure mechanisms and cobalt incorporation, so that the nickel electrode may be improved. Although our primary tool has been Raman spectroscopy, the structural conclusions drawn from the Raman data have been supported and augmented by three other analysis methods: infrared spectroscopy, powder X-ray Diffraction (XRD), and x-ray absorption spectroscopy (in particular EXAFS, Extended X-ray Absorption Fine Structure spectroscopy).

Composite membranes and methods for making same

DOEpatents

Routkevitch, Dmitri; Polyakov, Oleg G

2012-07-03

Composite membranes that are adapted for separation, purification, filtration, analysis, reaction and sensing. The composite membranes can include a porous support structure having elongate pore channels extending through the support structure. The composite membrane also includes an active layer comprising an active layer material, where the active layer material is completely disposed within the pore channels between the surfaces of the support structure. The active layer is intimately integrated within the support structure, thus enabling great robustness, reliability, resistance to mechanical stress and thermal cycling, and high selectivity. Methods for the fabrication of composite membranes are also provided.

Pressure-induced structural transformations of the Zintl phase sodium silicide

NASA Astrophysics Data System (ADS)

Cabrera, Raúl Quesada; Salamat, Ashkan; Barkalov, Oleg I.; Leynaud, Olivier; Hutchins, Peter; Daisenberger, Dominik; Machon, Denis; Sella, Andrea; Lewis, Dewi W.; McMillan, Paul F.

2009-09-01

The high-pressure behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction to observe the onset of structural phase transformations and potential oligomerisation into anionic Si nanoclusters with extended dimensionality. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation above 15 GPa, suggesting the formation of Si-Si bonds with oxidation of the Si - species and reduction of Na + to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure.

14 CFR 23.721 - General.

Code of Federal Regulations, 2010 CFR

2010-01-01

... main landing-gear system must be designed so that if it fails due to overloads during takeoff and... runway with any one or more landing-gear legs not extended without sustaining a structural component... with the provisions of this section may be shown by analysis or tests, or both. [Amdt. 23-34, 52 FR...

14 CFR 25.721 - General.

Code of Federal Regulations, 2010 CFR

2010-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Design and Construction Landing Gear § 25.721 General. (a) The main... one or more landing gear legs not extended without sustaining a structural component failure that is... provisions of this section may be shown by analysis or tests, or both. [Amdt. 25-32, 37 FR 3969, Feb. 24...

From kinetic-structure analysis to engineering crystalline fiber networks in soft materials.

PubMed

Wang, Rong-Yao; Wang, Peng; Li, Jing-Liang; Yuan, Bing; Liu, Yu; Li, Li; Liu, Xiang-Yang

2013-03-07

Understanding the role of kinetics in fiber network microstructure formation is of considerable importance in engineering gel materials to achieve their optimized performances/functionalities. In this work, we present a new approach for kinetic-structure analysis for fibrous gel materials. In this method, kinetic data is acquired using a rheology technique and is analyzed in terms of an extended Dickinson model in which the scaling behaviors of dynamic rheological properties in the gelation process are taken into account. It enables us to extract the structural parameter, i.e. the fractal dimension, of a fibrous gel from the dynamic rheological measurement of the gelation process, and to establish the kinetic-structure relationship suitable for both dilute and concentrated gelling systems. In comparison to the fractal analysis method reported in a previous study, our method is advantageous due to its general validity for a wide range of fractal structures of fibrous gels, from a highly compact network of the spherulitic domains to an open fibrous network structure. With such a kinetic-structure analysis, we can gain a quantitative understanding of the role of kinetic control in engineering the microstructure of the fiber network in gel materials.

Finite Element Model Development and Validation for Aircraft Fuselage Structures

NASA Technical Reports Server (NTRS)

Buehrle, Ralph D.; Fleming, Gary A.; Pappa, Richard S.; Grosveld, Ferdinand W.

2000-01-01

The ability to extend the valid frequency range for finite element based structural dynamic predictions using detailed models of the structural components and attachment interfaces is examined for several stiffened aircraft fuselage structures. This extended dynamic prediction capability is needed for the integration of mid-frequency noise control technology. Beam, plate and solid element models of the stiffener components are evaluated. Attachment models between the stiffener and panel skin range from a line along the rivets of the physical structure to a constraint over the entire contact surface. The finite element models are validated using experimental modal analysis results. The increased frequency range results in a corresponding increase in the number of modes, modal density and spatial resolution requirements. In this study, conventional modal tests using accelerometers are complemented with Scanning Laser Doppler Velocimetry and Electro-Optic Holography measurements to further resolve the spatial response characteristics. Whenever possible, component and subassembly modal tests are used to validate the finite element models at lower levels of assembly. Normal mode predictions for different finite element representations of components and assemblies are compared with experimental results to assess the most accurate techniques for modeling aircraft fuselage type structures.

Thickness of the Magnetic Crust of Mars from Magneto-Spectral Analysis

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

2006-01-01

Previous analysis of the magnetic spectrum of Mars showed only a crustal source field. The observational spectrum was fairly well fitted by the spectrum expected from random dipolar sources scattered on a spherical shell about 46 plus or minus 10 km below Mars' 3389.5 km mean radius. This de-correlation depth overestimates the typical depth of extended magnetized structures, and so was judged closer to mean source layer thickness than twice its value. To better estimate the thickness of the magnetic crust of Mars, six different magnetic spectra were fitted with the theoretical spectrum expected from a novel, bimodal distribution of magnetic sources. This theoretical spectrum represents both compact and extended, laterally correlated sources, so source shell depth is doubled to obtain layer thickness. The typical magnetic crustal thickness is put at 47.8 plus or minus 8.2 km. The extended sources are enormous, typically 650 km across, and account for over half the magnetic energy at low degrees. How did such vast regions form?

Electric Circuit Model Analogy for Equilibrium Lattice Relaxation in Semiconductor Heterostructures

NASA Astrophysics Data System (ADS)

Kujofsa, Tedi; Ayers, John E.

2018-01-01

The design and analysis of semiconductor strained-layer device structures require an understanding of the equilibrium profiles of strain and dislocations associated with mismatched epitaxy. Although it has been shown that the equilibrium configuration for a general semiconductor strained-layer structure may be found numerically by energy minimization using an appropriate partitioning of the structure into sublayers, such an approach is computationally intense and non-intuitive. We have therefore developed a simple electric circuit model approach for the equilibrium analysis of these structures. In it, each sublayer of an epitaxial stack may be represented by an analogous circuit configuration involving an independent current source, a resistor, an independent voltage source, and an ideal diode. A multilayered structure may be built up by the connection of the appropriate number of these building blocks, and the node voltages in the analogous electric circuit correspond to the equilibrium strains in the original epitaxial structure. This enables analysis using widely accessible circuit simulators, and an intuitive understanding of electric circuits can easily be extended to the relaxation of strained-layer structures. Furthermore, the electrical circuit model may be extended to continuously-graded epitaxial layers by considering the limit as the individual sublayer thicknesses are diminished to zero. In this paper, we describe the mathematical foundation of the electrical circuit model, demonstrate its application to several representative structures involving In x Ga1- x As strained layers on GaAs (001) substrates, and develop its extension to continuously-graded layers. This extension allows the development of analytical expressions for the strain, misfit dislocation density, critical layer thickness and widths of misfit dislocation free zones for a continuously-graded layer having an arbitrary compositional profile. It is similar to the transition from circuit theory, using lumped circuit elements, to electromagnetics, using distributed electrical quantities. We show this development using first principles, but, in a more general sense, Maxwell's equations of electromagnetics could be applied.

Static Aeroelastic Analysis with an Inviscid Cartesian Method

NASA Technical Reports Server (NTRS)

Rodriguez, David L.; Aftosmis, Michael J.; Nemec, Marian; Smith, Stephen C.

2014-01-01

An embedded-boundary Cartesian-mesh flow solver is coupled with a three degree-offreedom structural model to perform static, aeroelastic analysis of complex aircraft geometries. The approach solves the complete system of aero-structural equations using a modular, loosely-coupled strategy which allows the lower-fidelity structural model to deform the highfidelity CFD model. The approach uses an open-source, 3-D discrete-geometry engine to deform a triangulated surface geometry according to the shape predicted by the structural model under the computed aerodynamic loads. The deformation scheme is capable of modeling large deflections and is applicable to the design of modern, very-flexible transport wings. The interface is modular so that aerodynamic or structural analysis methods can be easily swapped or enhanced. This extended abstract includes a brief description of the architecture, along with some preliminary validation of underlying assumptions and early results on a generic 3D transport model. The final paper will present more concrete cases and validation of the approach. Preliminary results demonstrate convergence of the complete aero-structural system and investigate the accuracy of the approximations used in the formulation of the structural model.

Entrainment-Zone Restratification and Flow Structures in Stratified Shear Turbulence

NASA Technical Reports Server (NTRS)

Reif, B. Anders Pettersson; Werne, Joseph; Andreassen, Oyvind; Meyer, Christian; Davis-Mansour, Melissa

2002-01-01

Late-time dynamics and morphology of a stratified turbulent shear layer are examined using 1) Reynolds-stress and heat-flux budgets, 2) the single-point structure tensors introduced by Kassinos et al. (2001), and 3) flow visualization via 3D volume rendering. Flux reversal is observed during restratification in the edges of the turbulent layer. We present a first attempt to quantify the turbulence-mean-flow interaction and to characterize the predominant flow structures. Future work will extend this analysis to earlier times and different values of the Reynolds and Richardson numbers.

Design sensitivity analysis using EAL. Part 1: Conventional design parameters

NASA Technical Reports Server (NTRS)

Dopker, B.; Choi, Kyung K.; Lee, J.

1986-01-01

A numerical implementation of design sensitivity analysis of builtup structures is presented, using the versatility and convenience of an existing finite element structural analysis code and its database management system. The finite element code used in the implemenatation presented is the Engineering Analysis Language (EAL), which is based on a hybrid method of analysis. It was shown that design sensitivity computations can be carried out using the database management system of EAL, without writing a separate program and a separate database. Conventional (sizing) design parameters such as cross-sectional area of beams or thickness of plates and plane elastic solid components are considered. Compliance, displacement, and stress functionals are considered as performance criteria. The method presented is being extended to implement shape design sensitivity analysis using a domain method and a design component method.

Alternative difference analysis scheme combining R -space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhan, Fei; Tao, Ye; Zhao, Haifeng

Time-resolved X-ray absorption spectroscopy (TR-XAS), based on the laser-pump/X-ray-probe method, is powerful in capturing the change of the geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is generally performed on the laser-on minus laser-off difference spectrum. Here, a new analysis scheme is presented for the TR-XAS difference fitting in both the extended X-ray absorption fine-structure (EXAFS) and the X-ray absorption near-edge structure (XANES) regions.R-space EXAFS difference fitting could quickly provide the main quantitative structure change of the first shell. The XANES fitting part introduces a global non-derivative optimization algorithm and optimizes the local structure changemore » in a flexible way where both the core XAS calculation package and the search method in the fitting shell are changeable. The scheme was applied to the TR-XAS difference analysis of Fe(phen) 3spin crossover complex and yielded reliable distance change and excitation population.« less

Alternative difference analysis scheme combining R-space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy.

PubMed

Zhan, Fei; Tao, Ye; Zhao, Haifeng

2017-07-01

Time-resolved X-ray absorption spectroscopy (TR-XAS), based on the laser-pump/X-ray-probe method, is powerful in capturing the change of the geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is generally performed on the laser-on minus laser-off difference spectrum. Here, a new analysis scheme is presented for the TR-XAS difference fitting in both the extended X-ray absorption fine-structure (EXAFS) and the X-ray absorption near-edge structure (XANES) regions. R-space EXAFS difference fitting could quickly provide the main quantitative structure change of the first shell. The XANES fitting part introduces a global non-derivative optimization algorithm and optimizes the local structure change in a flexible way where both the core XAS calculation package and the search method in the fitting shell are changeable. The scheme was applied to the TR-XAS difference analysis of Fe(phen) 3 spin crossover complex and yielded reliable distance change and excitation population.

Extended quantification of the generalized recurrence plot

NASA Astrophysics Data System (ADS)

Riedl, Maik; Marwan, Norbert; Kurths, Jürgen

2016-04-01

The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing structures, turbulent spatial plankton patterns, and fractals. But, it is also successfully applied to the description of spatio-temporal dynamics and the detection of regime shifts, such as in the complex Ginzburg-Landau- equation. The recurrence plot based determinism is a central measure in this framework quantifying the level of regularities in temporal and spatial structures. We extend this measure for the generalized recurrence plot considering additional operations of symmetry than the simple translation. It is tested not only on two-dimensional regular patterns and noise but also on complex spatial patterns reconstructing the parameter space of the complex Ginzburg-Landau-equation. The extended version of the determinism resulted in values which are consistent to the original recurrence plot approach. Furthermore, the proposed method allows a split of the determinism into parts which based on laminar and non-laminar regions of the two-dimensional pattern of the complex Ginzburg-Landau-equation. A comparison of these parts with a standard method of image classification, the co-occurrence matrix approach, shows differences especially in the description of patterns associated with turbulence. In that case, it seems that the extended version of the determinism allows a distinction of phase turbulence and defect turbulence by means of their spatial patterns. This ability of the proposed method promise new insights in other systems with turbulent dynamics coming from climatology, biology, ecology, and social sciences, for example.

Some studies on the use of NASTRAN for nuclear power plant structural analysis and design

NASA Technical Reports Server (NTRS)

Setlur, A. V.; Valathur, M.

1973-01-01

Studies made on the use of NASTRAN for nuclear power plant analysis and design are presented. These studies indicate that NASTRAN could be effectively used for static, dynamic and special purpose problems encountered in the design of such plants. Normal mode capability of NASTRAN is extended through a post-processor program to handle seismic analysis. Static and dynamic substructuring is discussed. Extension of NASTRAN to include the needs in the civil engineering industry is discussed.

Ionizing gas breakdown waves in strong electric fields.

NASA Technical Reports Server (NTRS)

Klingbeil, R.; Tidman, D. A.; Fernsler, R. F.

1972-01-01

A previous analysis by Albright and Tidman (1972) of the structure of an ionizing potential wave driven through a dense gas by a strong electric field is extended to include atomic structure details of the background atoms and radiative effects, especially, photoionization. It is found that photoionization plays an important role in avalanche propagation. Velocities, electron densities, and temperatures are presented as a function of electric field for both negative and positive breakdown waves in nitrogen.

Nonlinear Geometric Effects in Mechanical Bistable Morphing Structures

NASA Astrophysics Data System (ADS)

Chen, Zi; Guo, Qiaohang; Majidi, Carmel; Chen, Wenzhe; Srolovitz, David J.; Haataja, Mikko P.

2012-09-01

Bistable structures associated with nonlinear deformation behavior, exemplified by the Venus flytrap and slap bracelet, can switch between different functional shapes upon actuation. Despite numerous efforts in modeling such large deformation behavior of shells, the roles of mechanical and nonlinear geometric effects on bistability remain elusive. We demonstrate, through both theoretical analysis and tabletop experiments, that two dimensionless parameters control bistability. Our work classifies the conditions for bistability, and extends the large deformation theory of plates and shells.

Cosinor-based rhythmometry

PubMed Central

2014-01-01

A brief overview is provided of cosinor-based techniques for the analysis of time series in chronobiology. Conceived as a regression problem, the method is applicable to non-equidistant data, a major advantage. Another dividend is the feasibility of deriving confidence intervals for parameters of rhythmic components of known periods, readily drawn from the least squares procedure, stressing the importance of prior (external) information. Originally developed for the analysis of short and sparse data series, the extended cosinor has been further developed for the analysis of long time series, focusing both on rhythm detection and parameter estimation. Attention is given to the assumptions underlying the use of the cosinor and ways to determine whether they are satisfied. In particular, ways of dealing with non-stationary data are presented. Examples illustrate the use of the different cosinor-based methods, extending their application from the study of circadian rhythms to the mapping of broad time structures (chronomes). PMID:24725531

Studies of Flame Structure in Microgravity

NASA Technical Reports Server (NTRS)

Law, C. K.; Sung, C. J.; Zhu, D. L.

1997-01-01

The present research endeavor is concerned with gaining fundamental understanding of the configuration, structure, and dynamics of laminar premixed and diffusion flames under conditions of negligible effects of gravity. Of particular interest is the potential to establish and hence study the properties of spherically- and cylindrically-symmetric flames and their response to external forces not related to gravity. For example, in an earlier experimental study of the burner-stabilized cylindrical premixed flames, the possibility of flame stabilization through flow divergence was established, while the resulting one-dimensional, adiabatic, stretchless flame also allowed an accurate means of determining the laminar flame speeds of combustible mixtures. We have recently extended our studies of the flame structure in microgravity along the following directions: (1) Analysis of the dynamics of spherical premixed flames; (2) Analysis of the spreading of cylindrical diffusion flames; (3) Experimental observation of an interesting dual luminous zone structure of a steady-state, microbuoyancy, spherical diffusion flame of air burning in a hydrogen/methane mixture environment, and its subsequent quantification through computational simulation with detailed chemistry and transport; (4) Experimental quantification of the unsteady growth of a spherical diffusion flame; and (5) Computational simulation of stretched, diffusionally-imbalanced premixed flames near and beyond the conventional limits of flammability, and the substantiation of the concept of extended limits of flammability. Motivation and results of these investigations are individually discussed.

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

PubMed

Haider, Kamran; Cruz, Anthony; Ramsey, Steven; Gilson, Michael K; Kurtzman, Tom

2018-01-09

We have developed SSTMap, a software package for mapping structural and thermodynamic water properties in molecular dynamics trajectories. The package introduces automated analysis and mapping of local measures of frustration and enhancement of water structure. The thermodynamic calculations are based on Inhomogeneous Fluid Solvation Theory (IST), which is implemented using both site-based and grid-based approaches. The package also extends the applicability of solvation analysis calculations to multiple molecular dynamics (MD) simulation programs by using existing cross-platform tools for parsing MD parameter and trajectory files. SSTMap is implemented in Python and contains both command-line tools and a Python module to facilitate flexibility in setting up calculations and for automated generation of large data sets involving analysis of multiple solutes. Output is generated in formats compatible with popular Python data science packages. This tool will be used by the molecular modeling community for computational analysis of water in problems of biophysical interest such as ligand binding and protein function.

RDNAnalyzer: A tool for DNA secondary structure prediction and sequence analysis

PubMed Central

Afzal, Muhammad; Shahid, Ahmad Ali; Shehzadi, Abida; Nadeem, Shahid; Husnain, Tayyab

2012-01-01

RDNAnalyzer is an innovative computer based tool designed for DNA secondary structure prediction and sequence analysis. It can randomly generate the DNA sequence or user can upload the sequences of their own interest in RAW format. It uses and extends the Nussinov dynamic programming algorithm and has various application for the sequence analysis. It predicts the DNA secondary structure and base pairings. It also provides the tools for routinely performed sequence analysis by the biological scientists such as DNA replication, reverse compliment generation, transcription, translation, sequence specific information as total number of nucleotide bases, ATGC base contents along with their respective percentages and sequence cleaner. RDNAnalyzer is a unique tool developed in Microsoft Visual Studio 2008 using Microsoft Visual C# and Windows Presentation Foundation and provides user friendly environment for sequence analysis. It is freely available. Availability http://www.cemb.edu.pk/sw.html Abbreviations RDNAnalyzer - Random DNA Analyser, GUI - Graphical user interface, XAML - Extensible Application Markup Language. PMID:23055611

Sulfur extended asphalt pavement evaluation in the State of Washington: SR 270 highway pavement performance report

NASA Astrophysics Data System (ADS)

Mahoney, J. P.; Terrel, R. L.; Cook, J. C.

1982-11-01

The placement and performance of sulfur extended asphalt (SEA) paving mixtures at a highway test site (SR 270) near Pullman, Washington is summarized. The mixture and structural designs and construction details are included. This is followed by a discussion of the data collection and analysis accomplished over a three year evaluation period (1979-1982). A major experimental feature of the study was the use of 0.100 (conventional asphalt concrete), 30/70 and 40/60 SEA binder ratios (sulfur/asphalt ratios are expressed as weight percents in the experimental paving mixtures.

Advanced thermally stable jet fuels. Technical progress report, January 1995--March 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schobert, H.H.; Eser, S.; Song, C.

Quantitative structure-property relationships have been applied to study the thermal stability of pure hydrocarbons typical of jet fuel components. A simple method of chemical structure description in terms of Benson groups was tested in searching for structure-property relationships for the hydrocarbons tested experimentally in this program. Molecular connectivity as a structure-based approach to chemical structure-property relationship analysis was also tested. Further development of both the experimental data base and computational methods will be necessary. Thermal decomposition studies, using glass tube reactors, were extended to two additional model compounds: n-decane and n-dodecane. Efforts on refining the deposit growth measurement and characterizationmore » of suspended matter in stressed fuels have lead to improvements in the analysis of stressed fuels. Catalytic hydrogenation and dehydrogenation studies utilizing a molybdenum sulfide catalyst are also described.« less

Non-patchy strategy for inter-atomic distances from Extended X-ray Absorption Fine Structure

PubMed Central

Xu, Gu; Li, Guifang; LI, Xianya; Liang, Yi; Feng, Zhechuan

2017-01-01

Extended X-ray Absorption Fine Structure (EXAFS) has been one of the few structural probes available for crystalline, non-crystalline and even highly disordered specimens. However, the data analysis involves a patchy and tinkering process, including back-and-forth fitting and filtering, leading to ambiguous answers sometimes. Here we try to resolve this long standing problem, to extract the inter-atomic distances from the experimental data by a single step minimization, in order to replace the tedious and tinkering process. The new strategy is built firmly by the mathematical logic, and made straightforward and undeniable. The finding demonstrates that it is possible to break off from the traditional patchy model fitting, and to remove the logical confusion of a priori prediction of the structure to be matched with experimental data, making it a much more powerful technique than the existing methods. The new method is expected to benefit EXAFS users covering all disciplines. Also, it is anticipated that the current work to be the motivation and inspiration to the further efforts. PMID:28181529

Water channel in the binding site of a high affinity anti-methotrexate antibody.

PubMed

Gayda, Susan; Longenecker, Kenton L; Manoj, Sharmila; Judge, Russell A; Saldana, Sylvia C; Ruan, Qiaoqiao; Swift, Kerry M; Tetin, Sergey Y

2014-06-17

In the present study, we report the structure of the free and drug-bound Fab fragment of a high affinity anti-methotrexate antibody and perform a thermodynamic analysis of the binding process. The anti-methotrexate Fab fragment features a remarkably rigid tunnel-like binding site that extends into a water channel serving as a specialized route to move solvent out and into the site upon ligand binding and dissociation. This new finding in antibody structure-function relationships directly relates to the fast association (1 × 10⁷ M⁻¹ s⁻¹) and slow dissociation (4 × 10⁻⁵ s⁻¹) rates determined for mAb ADD056, resulting in a very strong binding with a K(D) ~ 3.6 pM at 20 °C. As follows from the X-ray data analysis, the methotrexate-antibody complex is stabilized by an extended network of hydrogen bonds and stacking interactions. The analysis also shows structural involvement of the CDR H3 in formation of the water channel revealing another important role of this hypervariable region. This suggests a new direction in natural affinity maturation and opens a new possibility in antibody engineering. Methotrexate is a widely used therapeutic agent for many malignant diseases and inflammatory disorders. Unfortunately, it may also interfere with central aspects of metabolism and thereby cause inevitable side effects. Therefore, methotrexate therapy requires careful monitoring of drug blood levels, which is traditionally done by immunoassays. An understanding of the structure-function properties of antibodies selected for drug monitoring substantiates the performance and robustness of such tests.

RadioAstron space-ground interferometer at 324 MHz: interstellar plasma in the direction to PSR B1919+21

NASA Astrophysics Data System (ADS)

Smirnova, Tatiana; Andrianov, Andrey; Shishov, Vladimir

We present results obtained from analysis of our observations carried out on the space-ground interferometer RadioAstron at frequency of 324 MHz. Observations were conducted on 04.07.12 with a baseline projection of 60000 km. We used two ground telescopes: GBT and WSRT with the space radio telescope (SRT). Notable visibility amplitudes were detected at all baseline projections. We found that frequency structure of interstellar scintillation for pulsar B1919+21 is defined by angular refraction with refractive angle: θref ≈ 60 mas. Cosmic prism is located near to observer with a distance of about 10 pc. The scattering angle is resolved by cosmic interferometer and θsc is about 1 mas. The temporal structure of scintillation is mainly defined by interstellar plasma of extended media, but frequency structure - by extended media and prism influence. We detected also the influence of ionosphere on a phase variations of interferometer.

Enhanced modeling features within TREETOPS

NASA Technical Reports Server (NTRS)

Vandervoort, R. J.; Kumar, Manoj N.

1989-01-01

The original motivation for TREETOPS was to build a generic multi-body simulation and remove the burden of writing multi-body equations from the engineers. The motivation of the enhancement was twofold: (1) to extend the menu of built-in features (sensors, actuators, constraints, etc.) that did not require user code; and (2) to extend the control system design capabilities by linking with other government funded software (NASTRAN and MATLAB). These enhancements also serve to bridge the gap between structures and control groups. It is common on large space programs for the structures groups to build hi-fidelity models of the structure using NASTRAN and for the controls group to build lower order models because they lack the tools to incorporate the former into their analysis. Now the controls engineers can accept the hi-fidelity NASTRAN models into TREETOPS, add sensors and actuators, perform model reduction and couple the result directly into MATLAB to perform their design. The controller can then be imported directly into TREETOPS for non-linear, time-history simulation.

Modeling personnel turnover in the parametric organization

NASA Technical Reports Server (NTRS)

Dean, Edwin B.

1991-01-01

A model is developed for simulating the dynamics of a newly formed organization, credible during all phases of organizational development. The model development process is broken down into the activities of determining the tasks required for parametric cost analysis (PCA), determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the model, implementing the model, and testing it. The model, parameterized by the likelihood of job function transition, has demonstrated by the capability to represent the transition of personnel across functional boundaries within a parametric organization using a linear dynamical system, and the ability to predict required staffing profiles to meet functional needs at the desired time. The model can be extended by revisions of the state and transition structure to provide refinements in functional definition for the parametric and extended organization.

Structural analysis according to reduced data: VIII. Refinement of the extended model of aspherical atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudka, A. P.

A program for the refinement of the model of aspherical atoms within the Stewart-Hansen-Coppens formalism has been developed. Deformation scattering up to the 8th expansion order in multipoles has been taken into account for the first time. The program was tested for 11 crystals. The effect of the result of interpolation of radial scattering curves on the model parameters is considered. The importance of introduction of multipoles of high (5th-8th) orders into the model for a number of crystals is shown. The use of the extended multipole model for a silicon crystal revealed some new specific features of the electronicmore » structure: consideration of multipoles up to the 7th order makes it possible to explain the intensity of the forbidden 222 reflection.« less

Who Matters for Children’s Early Development? Race/Ethnicity and Extended Household Structures in the United States

PubMed Central

Fomby, Paula; Dennis, Jeff A.

2011-01-01

Taking advantage of recent data that permit an assessment of the importance of extended household members in operationalizing the relationship between family structure and children’s early development, this study incorporated coresident grandparents, other kin, and nonkin to investigate the associations between extended household structure and U.S. children’s cognitive and behavioral outcomes at age 2. Analyses assessed whether these relationships differed for Latino, African American, and White children and tested four potential explanations for such differences. Nationally representative data came from the Early Childhood Longitudinal Study-Birth Cohort of 2001 (N ≈ 8,450). Extended household structures were much more prevalent in households of young African American and Latino children than among Whites. Nuclear households were beneficial for White children, but living with a grandparent was associated with the highest cognitive scores for African American children. Nuclear, vertically extended, and laterally extended households had similar associations with Latino children’s cognitive and behavior scores. Results suggest that expanded indicators of household structure that include grandparents, other kin, and nonkin are useful for understanding children’s early development. PMID:21927627

Improvement of finite element meshes - Heat transfer in an infinite cylinder

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1989-01-01

An extension of a structural finite element mesh improvement technique to heat conduction analysis is presented. The mesh improvement concept was originally presented by Prager in studying tapered, axially loaded bars. It was further shown that an improved mesh can be obtained by minimizing the trace of the stiffnes matrix. These procedures are extended and applied to the analysis of heat conduction in an infinitely long hollow circular cylinder.

Improvement in finite element meshes: Heat transfer in an infinite cylinder

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1988-01-01

An extension of a structural finite element mesh improvement technique to heat conduction analysis is presented. The mesh improvement concept was originally presented by Prager in studying tapered, axially loaded bars. It was further shown that an improved mesh can be obtained by minimizing the trace of the stiffness matrix. These procedures are extended and applied to the analysis of heat conduction in an infinitely long hollow circular cylinder.

The Multidimensional Structure of University Absenteeism: An Exploratory Study

ERIC Educational Resources Information Center

López-Bonilla, Jesús Manuel; López-Bonilla, Luis Miguel

2015-01-01

Absenteeism has been a common and very extended problem in university spheres for several years. This problem has become a permanent feature in academic studies in general, yet it has received scarce empirical research attention. This work is focused on the analysis of the factors that determine university absenteeism. It evaluates a series of…

The Role of Problem Specification Workshops in Extension: An IPM Example.

ERIC Educational Resources Information Center

Foster, John; And Others

1995-01-01

Of three extension models--top-down technology transfer, farmers-first approach, and participatory research--the latter extends elements of the other two into a more comprehensive analysis of a problem and specification of solution strategies. An Australian integrated pest management (IPM) example illustrates how structured workshops are a useful…

The Relations between Islam and Secularism: The Impact on Social Behavior in Turkey

ERIC Educational Resources Information Center

Ismail, Nik Ahmad Hisham; Tekke, Mustafa

2016-01-01

Secularism as central to society and human life may bring undesired negative consequences in Muslim societies. Increasing social problems among juveniles in Turkey raised questions regarding the right personality development and education of young people. In extending further analysis, we conducted semi-structured interview with experts to assess…

Classroom Environments and Student Empowerment: An Analysis of Elementary and Secondary Teacher Beliefs

ERIC Educational Resources Information Center

Nichols, Joe D.; Zhang, Guanglan

2011-01-01

This project explored a classroom model of motivation in which the source of student motivation is based on internal mechanisms or structures and classroom student/instructor interactions. It also extended earlier research in which beliefs of veteran, entry level, and preservice teachers have been explored. For this project, 117 elementary…

Vibration of carbon nanotubes with defects: order reduction methods

NASA Astrophysics Data System (ADS)

Hudson, Robert B.; Sinha, Alok

2018-03-01

Order reduction methods are widely used to reduce computational effort when calculating the impact of defects on the vibrational properties of nearly periodic structures in engineering applications, such as a gas-turbine bladed disc. However, despite obvious similarities these techniques have not yet been adapted for use in analysing atomic structures with inevitable defects. Two order reduction techniques, modal domain analysis and modified modal domain analysis, are successfully used in this paper to examine the changes in vibrational frequencies, mode shapes and mode localization caused by defects in carbon nanotubes. The defects considered are isotope defects and Stone-Wales defects, though the methods described can be extended to other defects.

A Proposed Probabilistic Extension of the Halpern and Pearl Definition of ‘Actual Cause’

PubMed Central

2017-01-01

ABSTRACT Joseph Halpern and Judea Pearl ([2005]) draw upon structural equation models to develop an attractive analysis of ‘actual cause’. Their analysis is designed for the case of deterministic causation. I show that their account can be naturally extended to provide an elegant treatment of probabilistic causation. 1Introduction2Preemption3Structural Equation Models4The Halpern and Pearl Definition of ‘Actual Cause’5Preemption Again6The Probabilistic Case7Probabilistic Causal Models8A Proposed Probabilistic Extension of Halpern and Pearl’s Definition9Twardy and Korb’s Account10Probabilistic Fizzling11Conclusion PMID:29593362

Nuclear norm-based 2-DPCA for extracting features from images.

PubMed

Zhang, Fanlong; Yang, Jian; Qian, Jianjun; Xu, Yong

2015-10-01

The 2-D principal component analysis (2-DPCA) is a widely used method for image feature extraction. However, it can be equivalently implemented via image-row-based principal component analysis. This paper presents a structured 2-D method called nuclear norm-based 2-DPCA (N-2-DPCA), which uses a nuclear norm-based reconstruction error criterion. The nuclear norm is a matrix norm, which can provide a structured 2-D characterization for the reconstruction error image. The reconstruction error criterion is minimized by converting the nuclear norm-based optimization problem into a series of F-norm-based optimization problems. In addition, N-2-DPCA is extended to a bilateral projection-based N-2-DPCA (N-B2-DPCA). The virtue of N-B2-DPCA over N-2-DPCA is that an image can be represented with fewer coefficients. N-2-DPCA and N-B2-DPCA are applied to face recognition and reconstruction and evaluated using the Extended Yale B, CMU PIE, FRGC, and AR databases. Experimental results demonstrate the effectiveness of the proposed methods.

Modal Vibration Analysis of Large Castings

NASA Technical Reports Server (NTRS)

Werlink, Rudolph J.; Margasahayam, Ravi N.

2009-01-01

The art of experimental modal vibration analysis (MVA) has been extended to apply to large castings. This extension was made to enable the use of experimental MVA as a relatively inexpensive, simple means of assessing the internal structural integrity of tread shoes of crawler transporters used to move spacecraft to the launch pad at Kennedy Space Center. Each tread shoe is made from cast iron and weighs about a ton (has a mass .907 kg). The present extended version of experimental MVA could also be applied to other large castings. It could be especially useful to manufacturers as a means of rapidly discriminating against large castings that contain unacceptably large concentrations of internal defects. The use of experimental MVA to assess structural integrity is not new. What are new here are those aspects of the extension of experimental MVA that pertain to the application of MVA to objects so massive that it may not be practical or cost effective to mount them in special test fixtures that impose special test boundary conditions to test them in place under normal conditions of use.

Elastomeric Structural Attachment Concepts for Aircraft Flap Noise Reduction - Challenges and Approaches to Hyperelastic Structural Modeling and Analysis

NASA Technical Reports Server (NTRS)

Sreekantamurthy, Thammaiah; Turner, Travis L.; Moore, James B.; Su, Ji

2014-01-01

Airframe noise is a significant part of the overall noise of transport aircraft during the approach and landing phases of flight. Airframe noise reduction is currently emphasized under the Environmentally Responsible Aviation (ERA) and Fixed Wing (FW) Project goals of NASA. A promising concept for trailing-edge-flap noise reduction is a flexible structural element or link that connects the side edges of the deployable flap to the adjacent main-wing structure. The proposed solution is distinguished by minimization of the span-wise extent of the structural link, thereby minimizing the aerodynamic load on the link structure at the expense of increased deformation requirement. Development of such a flexible structural link necessitated application of hyperelastic materials, atypical structural configurations and novel interface hardware. The resulting highly-deformable structural concept was termed the FLEXible Side Edge Link (FLEXSEL) concept. Prediction of atypical elastomeric deformation responses from detailed structural analysis was essential for evaluating feasible concepts that met the design constraints. The focus of this paper is to describe the many challenges encountered with hyperelastic finite element modeling and the nonlinear structural analysis of evolving FLEXSEL concepts. Detailed herein is the nonlinear analysis of FLEXSEL concepts that emerged during the project which include solid-section, foamcore, hollow, extended-span and pre-stressed concepts. Coupon-level analysis performed on elastomeric interface joints, which form a part of the FLEXSEL topology development, are also presented.

Power flow as a complement to statistical energy analysis and finite element analysis

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

Present methods of analysis of the structural response and the structure-borne transmission of vibrational energy use either finite element (FE) techniques or statistical energy analysis (SEA) methods. The FE methods are a very useful tool at low frequencies where the number of resonances involved in the analysis is rather small. On the other hand SEA methods can predict with acceptable accuracy the response and energy transmission between coupled structures at relatively high frequencies where the structural modal density is high and a statistical approach is the appropriate solution. In the mid-frequency range, a relatively large number of resonances exist which make finite element method too costly. On the other hand SEA methods can only predict an average level form. In this mid-frequency range a possible alternative is to use power flow techniques, where the input and flow of vibrational energy to excited and coupled structural components can be expressed in terms of input and transfer mobilities. This power flow technique can be extended from low to high frequencies and this can be integrated with established FE models at low frequencies and SEA models at high frequencies to form a verification of the method. This method of structural analysis using power flo and mobility methods, and its integration with SEA and FE analysis is applied to the case of two thin beams joined together at right angles.

Fabrication Materials for a Closed Cycle Brayton Turbine Wheel

NASA Technical Reports Server (NTRS)

Khandelwal, Suresh; Hah, Chunill; Powers, Lynn M.; Stewart, Mark E.; Suresh, Ambady; Owen, Albert K.

2006-01-01

A multidisciplinary analysis of a radial inflow turbine rotor is presented. This work couples high-fidelity fluid, structural, and thermal simulations in a seamless multidisciplinary analysis to investigate the consequences of material selection. This analysis extends multidisciplinary techniques previously demonstrated on rocket turbopumps and hypersonic engines. Since no design information is available for the anticipated Brayton rotating machinery, an existing rotor design (the Brayton Rotating Unit (BRU)) was used in the analysis. Steady state analysis results of a notional turbine rotor indicate that stress levels are easily manageable at the turbine inlet temperature, and stress levels anticipated using either superalloys or ceramics.

Bone geometry, structure and mineral distribution using Dual energy X ray Absorptiometry (DXA)

NASA Technical Reports Server (NTRS)

Whalen, Robert; Cleek, Tammy

1993-01-01

Dual energy x-ray absorptiometry (DXA) is currently the most widely used method of analyzing regional and whole body changes in bone mineral content (BMC) and areal (g/sq cm) bone mineral density (BMD). However, BMC and BMD do not provide direct measures of long bone geometry, structure, or strength nor do regional measurements detect localized changes in other regions of the same bone. The capabilities of DXA can be enhanced significantly by special processing of pixel BMC data which yields cross-sectional geometric and structural information. We have extended this method of analysis in order to develop non-uniform structural beam models of long bones.

Application of Lanczos vectors to control design of flexible structures

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.; Su, Tzu-Jeng

1990-01-01

This report covers research conducted during the first year of the two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to obtain reduced-order mathematical models for use in dynamic response analyses and in control design studies. This report summarizes research described in several reports and papers that were written under this contract. Extended abstracts are presented for technical papers covering the following topics: controller reduction by preserving impulse response energy; substructuring decomposition and controller synthesis; model reduction methods for structural control design; and recent literature on structural modeling, identification, and analysis.

From intuition to statistics in building subsurface structural models

USGS Publications Warehouse

Brandenburg, J.P.; Alpak, F.O.; Naruk, S.; Solum, J.

2011-01-01

Experts associated with the oil and gas exploration industry suggest that combining forward trishear models with stochastic global optimization algorithms allows a quantitative assessment of the uncertainty associated with a given structural model. The methodology is applied to incompletely imaged structures related to deepwater hydrocarbon reservoirs and results are compared to prior manual palinspastic restorations and borehole data. This methodology is also useful for extending structural interpretations into other areas of limited resolution, such as subsalt in addition to extrapolating existing data into seismic data gaps. This technique can be used for rapid reservoir appraisal and potentially have other applications for seismic processing, well planning, and borehole stability analysis.

Simulation and analysis of the absorption enhancement in p-i-n InGaN/GaN solar cell using photonic crystal light trapping structures

NASA Astrophysics Data System (ADS)

Gupta, Nikhil Deep; Janyani, Vijay

2016-10-01

The structure of p-i-n InGaN/GaN based solar cell having a photonic crystal (PhC)-based light trapping structure (LTS) at the top assisted by the planar metallic (aluminum) back reflector (BR) is proposed. We propose two different designs for efficiency enhancement: in one we keep the PhC structure etching depth extending from the top antireflective coating (ARC) of indium tin oxide (ITO) up to the p-GaN layer (which is beneath the ITO and above the active layer), whereas in the other design, the PhC LTS etching depth has been extended up to the InxGa1-xN absorbing layer, starting from the top ITO layer. The theoretical optical simulation studies and optimization of the required parameters of the structure, which help to investigate and demonstrate the effectiveness of the LTS in the efficiency enhancement of the structure, are presented. The work also demonstrates the Lambertian light trapping limits for the practical indium concentrations in a InxGa1-xN active layer cell. The paper also presents the comparison between the proposed designs and compares their results with that of a planar reference cell. The studies are carried out for various indium concentrations. The results indicate considerable enhancement in the efficiency due to the PhC LTS, mainly because of better coupling, low reflectance, and diffraction capability of the proposed LTS, although it is still under the Lambertian limits. The performance evaluation of the proposed structure with respect to the angle of incident light has also been done, indicating improved performance. The parameters have been optimized and calculated by means of rigorous coupled wave analysis (RCWA) method.

Recent developments in analysis of crack propagation and fracture of practical materials. [stress analysis in aircraft structures

NASA Technical Reports Server (NTRS)

Hardrath, H. F.; Newman, J. C., Jr.; Elber, W.; Poe, C. C., Jr.

1978-01-01

The limitations of linear elastic fracture mechanics in aircraft design and in the study of fatigue crack propagation in aircraft structures are discussed. NASA-Langley research to extend the capabilities of fracture mechanics to predict the maximum load that can be carried by a cracked part and to deal with aircraft design problems are reported. Achievements include: (1) improved stress intensity solutions for laboratory specimens; (2) fracture criterion for practical materials; (3) crack propagation predictions that account for mean stress and high maximum stress effects; (4) crack propagation predictions for variable amplitude loading; and (5) the prediction of crack growth and residual stress in built-up structural assemblies. These capabilities are incorporated into a first generation computerized analysis that allows for damage tolerance and tradeoffs with other disciplines to produce efficient designs that meet current airworthiness requirements.

Data publication with the structural biology data grid supports live analysis

DOE PAGES

Meyer, Peter A.; Socias, Stephanie; Key, Jason; ...

2016-03-07

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of themore » original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. In conclusion, it is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.« less

Data publication with the structural biology data grid supports live analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, Peter A.; Socias, Stephanie; Key, Jason

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of themore » original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. In conclusion, it is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.« less

ER2OWL: Generating OWL Ontology from ER Diagram

NASA Astrophysics Data System (ADS)

Fahad, Muhammad

Ontology is the fundamental part of Semantic Web. The goal of W3C is to bring the web into (its full potential) a semantic web with reusing previous systems and artifacts. Most legacy systems have been documented in structural analysis and structured design (SASD), especially in simple or Extended ER Diagram (ERD). Such systems need up-gradation to become the part of semantic web. In this paper, we present ERD to OWL-DL ontology transformation rules at concrete level. These rules facilitate an easy and understandable transformation from ERD to OWL. The set of rules for transformation is tested on a structured analysis and design example. The framework provides OWL ontology for semantic web fundamental. This framework helps software engineers in upgrading the structured analysis and design artifact ERD, to components of semantic web. Moreover our transformation tool, ER2OWL, reduces the cost and time for building OWL ontologies with the reuse of existing entity relationship models.

Data publication with the structural biology data grid supports live analysis.

PubMed

Meyer, Peter A; Socias, Stephanie; Key, Jason; Ransey, Elizabeth; Tjon, Emily C; Buschiazzo, Alejandro; Lei, Ming; Botka, Chris; Withrow, James; Neau, David; Rajashankar, Kanagalaghatta; Anderson, Karen S; Baxter, Richard H; Blacklow, Stephen C; Boggon, Titus J; Bonvin, Alexandre M J J; Borek, Dominika; Brett, Tom J; Caflisch, Amedeo; Chang, Chung-I; Chazin, Walter J; Corbett, Kevin D; Cosgrove, Michael S; Crosson, Sean; Dhe-Paganon, Sirano; Di Cera, Enrico; Drennan, Catherine L; Eck, Michael J; Eichman, Brandt F; Fan, Qing R; Ferré-D'Amaré, Adrian R; Fromme, J Christopher; Garcia, K Christopher; Gaudet, Rachelle; Gong, Peng; Harrison, Stephen C; Heldwein, Ekaterina E; Jia, Zongchao; Keenan, Robert J; Kruse, Andrew C; Kvansakul, Marc; McLellan, Jason S; Modis, Yorgo; Nam, Yunsun; Otwinowski, Zbyszek; Pai, Emil F; Pereira, Pedro José Barbosa; Petosa, Carlo; Raman, C S; Rapoport, Tom A; Roll-Mecak, Antonina; Rosen, Michael K; Rudenko, Gabby; Schlessinger, Joseph; Schwartz, Thomas U; Shamoo, Yousif; Sondermann, Holger; Tao, Yizhi J; Tolia, Niraj H; Tsodikov, Oleg V; Westover, Kenneth D; Wu, Hao; Foster, Ian; Fraser, James S; Maia, Filipe R N C; Gonen, Tamir; Kirchhausen, Tom; Diederichs, Kay; Crosas, Mercè; Sliz, Piotr

2016-03-07

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.

Data publication with the structural biology data grid supports live analysis

PubMed Central

Meyer, Peter A.; Socias, Stephanie; Key, Jason; Ransey, Elizabeth; Tjon, Emily C.; Buschiazzo, Alejandro; Lei, Ming; Botka, Chris; Withrow, James; Neau, David; Rajashankar, Kanagalaghatta; Anderson, Karen S.; Baxter, Richard H.; Blacklow, Stephen C.; Boggon, Titus J.; Bonvin, Alexandre M. J. J.; Borek, Dominika; Brett, Tom J.; Caflisch, Amedeo; Chang, Chung-I; Chazin, Walter J.; Corbett, Kevin D.; Cosgrove, Michael S.; Crosson, Sean; Dhe-Paganon, Sirano; Di Cera, Enrico; Drennan, Catherine L.; Eck, Michael J.; Eichman, Brandt F.; Fan, Qing R.; Ferré-D'Amaré, Adrian R.; Christopher Fromme, J.; Garcia, K. Christopher; Gaudet, Rachelle; Gong, Peng; Harrison, Stephen C.; Heldwein, Ekaterina E.; Jia, Zongchao; Keenan, Robert J.; Kruse, Andrew C.; Kvansakul, Marc; McLellan, Jason S.; Modis, Yorgo; Nam, Yunsun; Otwinowski, Zbyszek; Pai, Emil F.; Pereira, Pedro José Barbosa; Petosa, Carlo; Raman, C. S.; Rapoport, Tom A.; Roll-Mecak, Antonina; Rosen, Michael K.; Rudenko, Gabby; Schlessinger, Joseph; Schwartz, Thomas U.; Shamoo, Yousif; Sondermann, Holger; Tao, Yizhi J.; Tolia, Niraj H.; Tsodikov, Oleg V.; Westover, Kenneth D.; Wu, Hao; Foster, Ian; Fraser, James S.; Maia, Filipe R. N C.; Gonen, Tamir; Kirchhausen, Tom; Diederichs, Kay; Crosas, Mercè; Sliz, Piotr

2016-01-01

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis. PMID:26947396

The basic characteristics of hybrid aircraft. [structural design criteria and weight analysis of airships for materials handling

NASA Technical Reports Server (NTRS)

Nichols, J. B.

1975-01-01

The transportation of very heavy or very bulky loads by airships, and the ability to carry out extended duration flights at low speeds and low costs was studied. Structural design and weight factors for airship construction are examined. The densities of various light gases to be used in airships are given, along with their lifting capacities. The aerodynamic characteristics of various airship configurations was studied. Propulsion system requirements for airships are briefly considered.

A qualitative study exploring perceptions and attitudes of community pharmacists about extended pharmacy services in Lahore, Pakistan.

PubMed

Hashmi, Furqan K; Hassali, Mohamed Azmi; Khalid, Adnan; Saleem, Fahad; Aljadhey, Hisham; Babar, Zaheer Ud Din; Bashaar, Mohammad

2017-07-19

In recent decades, community pharmacies reported a change of business model, whereby a shift from traditional services to the provision of extended roles was observed. However, such delivery of extended pharmacy services (EPS) is reported from the developed world, and there is scarcity of information from the developing nations. Within this context, the present study was aimed to explore knowledge, perception and attitude of community pharmacists (CPs) about EPS and their readiness and acceptance for practice change in the city of Lahore, Pakistan. A qualitative approach was used to gain an in-depth knowledge of the issues. By using a semi-structured interview guide, 12 CPs practicing in the city of Lahore, Pakistan were conveniently selected. All interviews were audio-taped, transcribed verbatim, and were then analyzed for thematic contents by the standard content analysis framework. Thematic content analysis yielded five major themes. (1) Familiarity with EPS, (2) current practice of EPS, (3) training needed to provide EPS, (4) acceptance of EPS and (5) barriers toward EPS. Majority of the CPs were unaware of EPS and only a handful had the concept of extended services. Although majority of our study respondents were unaware of pharmaceutical care, they were ready to accept practice change if provided with the required skills and training. Lack of personal knowledge, poor public awareness, inadequate physician-pharmacist collaboration and deprived salary structures were reported as barriers towards the provision of EPS at the practice settings. Although the study reported poor awareness towards EPS, the findings indicated a number of key themes that can be used in establishing the concept of EPS in Pakistan. Over all, CPs reported a positive attitude toward practice change provided to the support and facilitation of health and community based agencies in Pakistan.

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level. ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed. Examples of mass property stochastic calculations produced during a recent systems study are provided. This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime, few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

This paper describes a methodology that extends the use of the Equivalent LAminated Plate Solution (ELAPS) structural analysis code from conceptual-level aircraft structural analysis to conceptual-level aircraft mass property analysis. Mass property analysis in aircraft structures has historically depended upon parametric weight equations at the conceptual design level and Finite Element Analysis (FEA) at the detailed design level ELAPS allows for the modeling of detailed geometry, metallic and composite materials, and non-structural mass coupled with analytical structural sizing to produce high-fidelity mass property analyses representing fully configured vehicles early in the design process. This capability is especially valuable for unusual configuration and advanced concept development where existing parametric weight equations are inapplicable and FEA is too time consuming for conceptual design. This paper contrasts the use of ELAPS relative to empirical weight equations and FEA. ELAPS modeling techniques are described and the ELAPS-based mass property analysis process is detailed Examples of mass property stochastic calculations produced during a recent systems study are provided This study involved the analysis of three remotely piloted aircraft required to carry scientific payloads to very high altitudes at subsonic speeds. Due to the extreme nature of this high-altitude flight regime,few existing vehicle designs are available for use in performance and weight prediction. ELAPS was employed within a concurrent engineering analysis process that simultaneously produces aerodynamic, structural, and static aeroelastic results for input to aircraft performance analyses. The ELAPS models produced for each concept were also used to provide stochastic analyses of wing structural mass properties. The results of this effort indicate that ELAPS is an efficient means to conduct multidisciplinary trade studies at the conceptual design level.

Generation mechanisms of fundamental rogue wave spatial-temporal structure.

PubMed

Ling, Liming; Zhao, Li-Chen; Yang, Zhan-Ying; Guo, Boling

2017-08-01

We discuss the generation mechanism of fundamental rogue wave structures in N-component coupled systems, based on analytical solutions of the nonlinear Schrödinger equation and modulational instability analysis. Our analysis discloses that the pattern of a fundamental rogue wave is determined by the evolution energy and growth rate of the resonant perturbation that is responsible for forming the rogue wave. This finding allows one to predict the rogue wave pattern without the need to solve the N-component coupled nonlinear Schrödinger equation. Furthermore, our results show that N-component coupled nonlinear Schrödinger systems may possess N different fundamental rogue wave patterns at most. These results can be extended to evaluate the type and number of fundamental rogue wave structure in other coupled nonlinear systems.

The Direct and Indirect Effects of Paliperidone Extended-release on Depressive Symptoms in Schizoaffective Disorder: A Path Analysis.

PubMed

Turkoz, Ibrahim; Fu, Dong-Jing; Bossie, Cynthia A; Alphs, Larry

2015-01-01

This analysis evaluates improvement in symptoms of depression in patients with schizoaffective disorder administered oral paliperidone extended-release by accounting for the magnitude of direct and indirect (changes in negative and positive symptoms and worsening of extrapyramidal symptoms) treatment effects on depressive symptoms. Data for this post hoc analysis were drawn from two six-week, randomized, placebo-controlled studies of paliperidone extended-release versus placebo in adult subjects with schizoaffective disorder (N=614; NCT00412373, NCT00397033). Subjects with baseline 17-item Hamilton Rating Scale for Depression scores of 16 or greater were included. Structural equation models (path analyses) were used to separate total effects into direct and indirect effects on depressive symptoms. Change from baseline in 17-item Hamilton Rating Scale for Depression score at the Week 6 end point was the dependent variable; changes in Positive and Negative Syndrome Scale positive and negative factors and Simpson-Angus Scale (to evaluate extrapyramidal symptoms) scores were independent variables. At baseline, 332 of 614 (54.1%) subjects had a 17-item Hamilton Rating Scale for Depression score of 16 or greater. Path analysis determined that up to 26.4 percent of the paliperidone extended-release versus placebo effect on depressive symptoms may be attributed to a direct treatment effect, and 45.8 percent and 28.4 percent were mediated indirectly through improvements on positive and negative symptoms, respectively. No effects were identified as mediated through extrapyramidal symptoms changes (-0.7%). RESULTS of this analysis suggest that paliperidone's effect on depressive symptoms in subjects with schizoaffective disorder participating in two six-week, randomized, placebo-controlled studies is mediated through indirect effects (e.g., positive and negative symptom changes) and a direct treatment effect.

The Utility of the Extended Images in Ambient Seismic Wavefield Migration

NASA Astrophysics Data System (ADS)

Girard, A. J.; Shragge, J. C.

2015-12-01

Active-source 3D seismic migration and migration velocity analysis (MVA) are robust and highly used methods for imaging Earth structure. One class of migration methods uses extended images constructed by incorporating spatial and/or temporal wavefield correlation lags to the imaging conditions. These extended images allow users to directly assess whether images focus better with different parameters, which leads to MVA techniques that are based on the tenets of adjoint-state theory. Under certain conditions (e.g., geographical, cultural or financial), however, active-source methods can prove impractical. Utilizing ambient seismic energy that naturally propagates through the Earth is an alternate method currently used in the scientific community. Thus, an open question is whether extended images are similarly useful for ambient seismic migration processing and verifying subsurface velocity models, and whether one can similarly apply adjoint-state methods to perform ambient migration velocity analysis (AMVA). Herein, we conduct a number of numerical experiments that construct extended images from ambient seismic recordings. We demonstrate that, similar to active-source methods, there is a sensitivity to velocity in ambient seismic recordings in the migrated extended image domain. In synthetic ambient imaging tests with varying degrees of error introduced to the velocity model, the extended images are sensitive to velocity model errors. To determine the extent of this sensitivity, we utilize acoustic wave-equation propagation and cross-correlation-based migration methods to image weak body-wave signals present in the recordings. Importantly, we have also observed scenarios where non-zero correlation lags show signal while zero-lags show none. This may be a valuable missing piece for ambient migration techniques that have yielded largely inconclusive results, and might be an important piece of information for performing AMVA from ambient seismic recordings.

An exact arithmetic toolbox for a consistent and reproducible structural analysis of metabolic network models

PubMed Central

Chindelevitch, Leonid; Trigg, Jason; Regev, Aviv; Berger, Bonnie

2014-01-01

Constraint-based models are currently the only methodology that allows the study of metabolism at the whole-genome scale. Flux balance analysis is commonly used to analyse constraint-based models. Curiously, the results of this analysis vary with the software being run, a situation that we show can be remedied by using exact rather than floating-point arithmetic. Here we introduce MONGOOSE, a toolbox for analysing the structure of constraint-based metabolic models in exact arithmetic. We apply MONGOOSE to the analysis of 98 existing metabolic network models and find that the biomass reaction is surprisingly blocked (unable to sustain non-zero flux) in nearly half of them. We propose a principled approach for unblocking these reactions and extend it to the problems of identifying essential and synthetic lethal reactions and minimal media. Our structural insights enable a systematic study of constraint-based metabolic models, yielding a deeper understanding of their possibilities and limitations. PMID:25291352

On structural identifiability analysis of the cascaded linear dynamic systems in isotopically non-stationary 13C labelling experiments.

PubMed

Lin, Weilu; Wang, Zejian; Huang, Mingzhi; Zhuang, Yingping; Zhang, Siliang

2018-06-01

The isotopically non-stationary 13C labelling experiments, as an emerging experimental technique, can estimate the intracellular fluxes of the cell culture under an isotopic transient period. However, to the best of our knowledge, the issue of the structural identifiability analysis of non-stationary isotope experiments is not well addressed in the literature. In this work, the local structural identifiability analysis for non-stationary cumomer balance equations is conducted based on the Taylor series approach. The numerical rank of the Jacobian matrices of the finite extended time derivatives of the measured fractions with respect to the free parameters is taken as the criterion. It turns out that only one single time point is necessary to achieve the structural identifiability analysis of the cascaded linear dynamic system of non-stationary isotope experiments. The equivalence between the local structural identifiability of the cascaded linear dynamic systems and the local optimum condition of the nonlinear least squares problem is elucidated in the work. Optimal measurements sets can then be determined for the metabolic network. Two simulated metabolic networks are adopted to demonstrate the utility of the proposed method. Copyright © 2018 Elsevier Inc. All rights reserved.

The Stability of Post Hoc Model Modifications in Covariance Structure Models.

ERIC Educational Resources Information Center

Hutchinson, Susan R.

The work of R. MacCallum et al. (1992) was extended by examining chance modifications through a Monte Carlo simulation. The stability of post hoc model modifications was examined under varying sample size, model complexity, and severity of misspecification using 2- and 4-factor oblique confirmatory factor analysis (CFA) models with four and eight…

Structure and development of old-growth, unmanaged second-growth, and extended rotation Pinus resinosa forests in Minnesota, USA

USGS Publications Warehouse

Silver, Emily J.; D'Amato, Anthony W.; Fraver, Shawn; Palik, Brian J.; Bradford, John B.

2013-01-01

The structure and developmental dynamics of old-growth forests often serve as important baselines for restoration prescriptions aimed at promoting more complex structural conditions in managed forest landscapes. Nonetheless, long-term information on natural patterns of development is rare for many commercially important and ecologically widespread forest types. Moreover, the effectiveness of approaches recommended for restoring old-growth structural conditions to managed forests, such as the application of extended rotation forestry, has been little studied. This study uses several long-term datasets from old growth, extended rotation, and unmanaged second growth Pinus resinosa (red pine) forests in northern Minnesota, USA, to quantify the range of variation in structural conditions for this forest type and to evaluate the effectiveness of extended rotation forestry at promoting the development of late-successional structural conditions. Long-term tree population data from permanent plots for one of the old-growth stands and the extended rotation stands (87 and 61 years, respectively) also allowed for an examination of the long-term structural dynamics of these systems. Old-growth forests were more structurally complex than unmanaged second-growth and extended rotation red pine stands, due in large part to the significantly higher volumes of coarse woody debris (70.7 vs. 11.5 and 4.7 m3/ha, respectively) and higher snag basal area (6.9 vs. 2.9 and 0.5 m2/ha, respectively). In addition, old-growth forests, although red pine-dominated, contained a greater abundance of other species, including Pinus strobus, Abies balsamea, and Picea glauca relative to the other stand types examined. These differences between stand types largely reflect historic gap-scale disturbances within the old-growth systems and their corresponding structural and compositional legacies. Nonetheless, extended rotation thinning treatments, by accelerating advancement to larger tree diameter classes, generated diameter distributions more closely approximating those found in old growth within a shorter time frame than depicted in long-term examinations of old-growth structural development. These results suggest that extended rotation treatments may accelerate the development of old-growth structural characteristics, provided that coarse woody debris and snags are deliberately retained and created on site. These and other developmental characteristics of old-growth systems can inform forest management when objectives include the restoration of structural conditions found in late-successional forests.

Imaging of the stroke-related changes in the vascular system of the mouse brain with the use of extended focus optical coherence microscopy

NASA Astrophysics Data System (ADS)

Tamborski, Szymon; Lyu, Hong Chou; Bukowska, Danuta; Dolezyczek, Hubert; Wilczynski, Grzegorz; Szlag, Daniel; Lasser, Theo; Wojtkowski, Maciej; Szkulmowski, Maciej

2016-03-01

We used Optical Coherence Microscopy (OCM) to monitor structural and functional changes due to ischemic stroke in small animals brains in vivo. To obtain lateral resolution of 2.2 μm over the range of 600 μm we used extended focus configuration of OCM instrument involving Bessel beam. It provided access to detailed 3D information about the changes in brain vascular system up to the level of capillaries across I and II/III layers of neocortex. We used photothrombotic stroke model involving photoactive application of rose bengal to assure minimal invasiveness of the procedure and precise localization of the clot distribution center. We present the comparative analysis involving structural and angiographic maps of the stroke-affected brain enabling in-depth insight to the process of development of the disorder.

The life of a dead ant: the expression of an adaptive extended phenotype.

PubMed

Andersen, Sandra B; Gerritsma, Sylvia; Yusah, Kalsum M; Mayntz, David; Hywel-Jones, Nigel L; Billen, Johan; Boomsma, Jacobus J; Hughes, David P

2009-09-01

Specialized parasites are expected to express complex adaptations to their hosts. Manipulation of host behavior is such an adaptation. We studied the fungus Ophiocordyceps unilateralis, a locally specialized parasite of arboreal Camponotus leonardi ants. Ant-infecting Ophiocordyceps are known to make hosts bite onto vegetation before killing them. We show that this represents a fine-tuned fungal adaptation: an extended phenotype. Dead ants were found under leaves, attached by their mandibles, on the northern side of saplings approximately 25 cm above the soil, where temperature and humidity conditions were optimal for fungal growth. Experimental relocation confirmed that parasite fitness was lower outside this manipulative zone. Host resources were rapidly colonized and further secured by extensive internal structuring. Nutritional composition analysis indicated that such structuring allows the parasite to produce a large fruiting body for spore production. Our findings suggest that the osmotrophic lifestyle of fungi may have facilitated novel exploitation strategies.

Analysis of cold worked holes for structural life extension

NASA Technical Reports Server (NTRS)

Wieland, David H.; Cutshall, Jon T.; Burnside, O. Hal; Cardinal, Joseph W.

1994-01-01

Cold working holes for improved fatigue life of fastener holes are widely used on aircraft. This paper presents methods used by the authors to determine the percent of cold working to be applied and to analyze fatigue crack growth of cold worked fastener holes. An elastic, perfectly-plastic analysis of a thick-walled tube is used to determine the stress field during the cold working process and the residual stress field after the process is completed. The results of the elastic/plastic analysis are used to determine the amount of cold working to apply to a hole. The residual stress field is then used to perform damage tolerance analysis of a crack growing out of a cold worked fastener hole. This analysis method is easily implemented in existing crack growth computer codes so that the cold worked holes can be used to extend the structural life of aircraft. Analytical results are compared to test data where appropriate.

Parameterized centrality metric for network analysis

NASA Astrophysics Data System (ADS)

Ghosh, Rumi; Lerman, Kristina

2011-06-01

A variety of metrics have been proposed to measure the relative importance of nodes in a network. One of these, alpha-centrality [P. Bonacich, Am. J. Sociol.0002-960210.1086/228631 92, 1170 (1987)], measures the number of attenuated paths that exist between nodes. We introduce a normalized version of this metric and use it to study network structure, for example, to rank nodes and find community structure of the network. Specifically, we extend the modularity-maximization method for community detection to use this metric as the measure of node connectivity. Normalized alpha-centrality is a powerful tool for network analysis, since it contains a tunable parameter that sets the length scale of interactions. Studying how rankings and discovered communities change when this parameter is varied allows us to identify locally and globally important nodes and structures. We apply the proposed metric to several benchmark networks and show that it leads to better insights into network structure than alternative metrics.

Development of the NASA/FLAGRO computer program for analysis of airframe structures

NASA Technical Reports Server (NTRS)

Forman, R. G.; Shivakumar, V.; Newman, J. C., Jr.

1994-01-01

The NASA/FLAGRO (NASGRO) computer program was developed for fracture control analysis of space hardware and is currently the standard computer code in NASA, the U.S. Air Force, and the European Agency (ESA) for this purpose. The significant attributes of the NASGRO program are the numerous crack case solutions, the large materials file, the improved growth rate equation based on crack closure theory, and the user-friendly promptive input features. In support of the National Aging Aircraft Research Program (NAARP); NASGRO is being further developed to provide advanced state-of-the-art capability for damage tolerance and crack growth analysis of aircraft structural problems, including mechanical systems and engines. The project currently involves a cooperative development effort by NASA, FAA, and ESA. The primary tasks underway are the incorporation of advanced methodology for crack growth rate retardation resulting from spectrum loading and improved analysis for determining crack instability. Also, the current weight function solutions in NASGRO or nonlinear stress gradient problems are being extended to more crack cases, and the 2-d boundary integral routine for stress analysis and stress-intensity factor solutions is being extended to 3-d problems. Lastly, effort is underway to enhance the program to operate on personal computers and work stations in a Windows environment. Because of the increasing and already wide usage of NASGRO, the code offers an excellent mechanism for technology transfer for new fatigue and fracture mechanics capabilities developed within NAARP.

A fictitious domain approach for the Stokes problem based on the extended finite element method

NASA Astrophysics Data System (ADS)

Court, Sébastien; Fournié, Michel; Lozinski, Alexei

2014-01-01

In the present work, we propose to extend to the Stokes problem a fictitious domain approach inspired by eXtended Finite Element Method and studied for Poisson problem in [Renard]. The method allows computations in domains whose boundaries do not match. A mixed finite element method is used for fluid flow. The interface between the fluid and the structure is localized by a level-set function. Dirichlet boundary conditions are taken into account using Lagrange multiplier. A stabilization term is introduced to improve the approximation of the normal trace of the Cauchy stress tensor at the interface and avoid the inf-sup condition between the spaces for velocity and the Lagrange multiplier. Convergence analysis is given and several numerical tests are performed to illustrate the capabilities of the method.

Structure and shale gas production patterns from eastern Kentucky field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shumaker, R.C.

Computer-derived subsurface structure, isopach, and gas-flow maps, based on 4000 drillers logs, have been generated for eastern Kentucky under a project sponsored by the Gas Research Institute. Structure maps show low-relief flextures related to basement structure. Some structures have been mapped at the surface, others have not. Highest final open-flow (fof) of shale gas from wells in Martin County follow a structural low between (basement) anticlines. From there, elevated gas flows (fof) extend westward along the Warfield monocline to Floyd County where the high flow (fof) trend extends southward along the Floyd County channel. In Knott County, the number ofmore » wells with high gas flow (fof) decreases abruptly. The center of highest gas flow (fof) in Floyd County spreads eastward to Pike County, forming a triangular shaped area of high production (fof). The center of highest gas flow (fof) is in an area where possible (basement) structure trends intersect and where low-relief surface folds (probably detached structure) were mapped and shown on the 1922 version of the Floyd County structure map. Modern regional maps, based on geophysical logs from widely spaced wells, do not define the low-relief structures that have been useful in predicting gas flow trends. Detailed maps based on drillers logs can be misleading unless carefully edited. Comparative analysis of high gas flows (fof) and 10-year cumulative production figures in a small area confirms that there is a relationship between gas flow (fof) values and long-term cumulative production.« less

Optimization Testbed Cometboards Extended into Stochastic Domain

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Pai, Shantaram S.; Coroneos, Rula M.; Patnaik, Surya N.

2010-01-01

COMparative Evaluation Testbed of Optimization and Analysis Routines for the Design of Structures (CometBoards) is a multidisciplinary design optimization software. It was originally developed for deterministic calculation. It has now been extended into the stochastic domain for structural design problems. For deterministic problems, CometBoards is introduced through its subproblem solution strategy as well as the approximation concept in optimization. In the stochastic domain, a design is formulated as a function of the risk or reliability. Optimum solution including the weight of a structure, is also obtained as a function of reliability. Weight versus reliability traced out an inverted-S-shaped graph. The center of the graph corresponded to 50 percent probability of success, or one failure in two samples. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure that corresponded to unity for reliability. Weight can be reduced to a small value for the most failure-prone design with a compromised reliability approaching zero. The stochastic design optimization (SDO) capability for an industrial problem was obtained by combining three codes: MSC/Nastran code was the deterministic analysis tool, fast probabilistic integrator, or the FPI module of the NESSUS software, was the probabilistic calculator, and CometBoards became the optimizer. The SDO capability requires a finite element structural model, a material model, a load model, and a design model. The stochastic optimization concept is illustrated considering an academic example and a real-life airframe component made of metallic and composite materials.

Efficient protein structure search using indexing methods

PubMed Central

2013-01-01

Understanding functions of proteins is one of the most important challenges in many studies of biological processes. The function of a protein can be predicted by analyzing the functions of structurally similar proteins, thus finding structurally similar proteins accurately and efficiently from a large set of proteins is crucial. A protein structure can be represented as a vector by 3D-Zernike Descriptor (3DZD) which compactly represents the surface shape of the protein tertiary structure. This simplified representation accelerates the searching process. However, computing the similarity of two protein structures is still computationally expensive, thus it is hard to efficiently process many simultaneous requests of structurally similar protein search. This paper proposes indexing techniques which substantially reduce the search time to find structurally similar proteins. In particular, we first exploit two indexing techniques, i.e., iDistance and iKernel, on the 3DZDs. After that, we extend the techniques to further improve the search speed for protein structures. The extended indexing techniques build and utilize an reduced index constructed from the first few attributes of 3DZDs of protein structures. To retrieve top-k similar structures, top-10 × k similar structures are first found using the reduced index, and top-k structures are selected among them. We also modify the indexing techniques to support θ-based nearest neighbor search, which returns data points less than θ to the query point. The results show that both iDistance and iKernel significantly enhance the searching speed. In top-k nearest neighbor search, the searching time is reduced 69.6%, 77%, 77.4% and 87.9%, respectively using iDistance, iKernel, the extended iDistance, and the extended iKernel. In θ-based nearest neighbor serach, the searching time is reduced 80%, 81%, 95.6% and 95.6% using iDistance, iKernel, the extended iDistance, and the extended iKernel, respectively. PMID:23691543

Efficient protein structure search using indexing methods.

PubMed

Kim, Sungchul; Sael, Lee; Yu, Hwanjo

2013-01-01

Understanding functions of proteins is one of the most important challenges in many studies of biological processes. The function of a protein can be predicted by analyzing the functions of structurally similar proteins, thus finding structurally similar proteins accurately and efficiently from a large set of proteins is crucial. A protein structure can be represented as a vector by 3D-Zernike Descriptor (3DZD) which compactly represents the surface shape of the protein tertiary structure. This simplified representation accelerates the searching process. However, computing the similarity of two protein structures is still computationally expensive, thus it is hard to efficiently process many simultaneous requests of structurally similar protein search. This paper proposes indexing techniques which substantially reduce the search time to find structurally similar proteins. In particular, we first exploit two indexing techniques, i.e., iDistance and iKernel, on the 3DZDs. After that, we extend the techniques to further improve the search speed for protein structures. The extended indexing techniques build and utilize an reduced index constructed from the first few attributes of 3DZDs of protein structures. To retrieve top-k similar structures, top-10 × k similar structures are first found using the reduced index, and top-k structures are selected among them. We also modify the indexing techniques to support θ-based nearest neighbor search, which returns data points less than θ to the query point. The results show that both iDistance and iKernel significantly enhance the searching speed. In top-k nearest neighbor search, the searching time is reduced 69.6%, 77%, 77.4% and 87.9%, respectively using iDistance, iKernel, the extended iDistance, and the extended iKernel. In θ-based nearest neighbor serach, the searching time is reduced 80%, 81%, 95.6% and 95.6% using iDistance, iKernel, the extended iDistance, and the extended iKernel, respectively.

Application of MCR-ALS to reveal intermediate conformations in the thermally induced α-β transition of poly-L-lysine monitored by FT-IR spectroscopy

NASA Astrophysics Data System (ADS)

Alcaráz, Mirta R.; Schwaighofer, Andreas; Goicoechea, Héctor; Lendl, Bernhard

2017-10-01

Temperature-induced conformational transitions of poly-L-lysine were monitored with Fourier-transform infrared (FT-IR) spectroscopy between 10 °C and 70 °C. Chemometric analysis of dynamic IR spectra was performed by multivariate curve analysis-alternating least squares (MCR-ALS) of the amide I‧ and amide II‧ spectral region. With this approach, the pure spectral and concentration profiles of the conformational transition were obtained. Beside the initial α-helical, the intermediate random coil/extended helices and the final β-sheet structure, an additional intermediate PLL conformation was identified and attributed to a transient β-sheet structure.

What's New in GSAS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toby, Brian H.; Von Dreele, Robert B.

The General Structure and Analysis Software II (GSAS-II) package is an all-new crystallographic analysis package written to replace and extend the capabilities of the universal and widely used GSAS and EXPGUI packages. GSAS-II was described in a 2013 article, but considerable work has been completed since then. This paper describes the advances, which include: rigid body fitting and structure solution modules; improved treatment for parametric refinements and equation of state fitting; and small-angle scattering data reduction and analysis. GSAS-II offers versatile and extensible modules for import and export of data and results. Capabilities are provided for users to select anymore » version of the code. Code documentation has reached 150 pages and 17 web-tutorials are offered. © 2014 International Centre for Diffraction Data.« less

Extended FDD-WT method based on correcting the errors due to non-synchronous sensing of sensors

NASA Astrophysics Data System (ADS)

Tarinejad, Reza; Damadipour, Majid

2016-05-01

In this research, a combinational non-parametric method called frequency domain decomposition-wavelet transform (FDD-WT) that was recently presented by the authors, is extended for correction of the errors resulting from asynchronous sensing of sensors, in order to extend the application of the algorithm for different kinds of structures, especially for huge structures. Therefore, the analysis process is based on time-frequency domain decomposition and is performed with emphasis on correcting time delays between sensors. Time delay estimation (TDE) methods are investigated for their efficiency and accuracy for noisy environmental records and the Phase Transform - β (PHAT-β) technique was selected as an appropriate method to modify the operation of traditional FDD-WT in order to achieve the exact results. In this paper, a theoretical example (3DOF system) has been provided in order to indicate the non-synchronous sensing effects of the sensors on the modal parameters; moreover, the Pacoima dam subjected to 13 Jan 2001 earthquake excitation was selected as a case study. The modal parameters of the dam obtained from the extended FDD-WT method were compared with the output of the classical signal processing method, which is referred to as 4-Spectral method, as well as other literatures relating to the dynamic characteristics of Pacoima dam. The results comparison indicates that values are correct and reliable.

PDBe: Protein Data Bank in Europe

PubMed Central

Velankar, S.; Alhroub, Y.; Best, C.; Caboche, S.; Conroy, M. J.; Dana, J. M.; Fernandez Montecelo, M. A.; van Ginkel, G.; Golovin, A.; Gore, S. P.; Gutmanas, A.; Haslam, P.; Hendrickx, P. M. S.; Heuson, E.; Hirshberg, M.; John, M.; Lagerstedt, I.; Mir, S.; Newman, L. E.; Oldfield, T. J.; Patwardhan, A.; Rinaldi, L.; Sahni, G.; Sanz-García, E.; Sen, S.; Slowley, R.; Suarez-Uruena, A.; Swaminathan, G. J.; Symmons, M. F.; Vranken, W. F.; Wainwright, M.; Kleywegt, G. J.

2012-01-01

The Protein Data Bank in Europe (PDBe; pdbe.org) is a partner in the Worldwide PDB organization (wwPDB; wwpdb.org) and as such actively involved in managing the single global archive of biomacromolecular structure data, the PDB. In addition, PDBe develops tools, services and resources to make structure-related data more accessible to the biomedical community. Here we describe recently developed, extended or improved services, including an animated structure-presentation widget (PDBportfolio), a widget to graphically display the coverage of any UniProt sequence in the PDB (UniPDB), chemistry- and taxonomy-based PDB-archive browsers (PDBeXplore), and a tool for interactive visualization of NMR structures, corresponding experimental data as well as validation and analysis results (Vivaldi). PMID:22110033

Antiferromagnetic Potts Model on the Erdős-Rényi Random Graph

NASA Astrophysics Data System (ADS)

Contucci, Pierluigi; Dommers, Sander; Giardinà, Cristian; Starr, Shannon

2013-10-01

We study the antiferromagnetic Potts model on the Poissonian Erdős-Rényi random graph. By identifying a suitable interpolation structure and an extended variational principle, together with a positive temperature second-moment analysis we prove the existence of a phase transition at a positive critical temperature. Upper and lower bounds on the temperature critical value are obtained from the stability analysis of the replica symmetric solution (recovered in the framework of Derrida-Ruelle probability cascades) and from an entropy positivity argument.

Lorentz-violating SO(3) model: Discussing unitarity, causality, and 't Hooft-Polyakov monopoles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scarpelli, A.P. Baeta; Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ; Helayeel-Neto, J.A.

2006-05-15

In this paper, we extend the analysis of the Lorentz-violating Quantum Electrodynamics to the non-Abelian case: an SO(3) Yang-Mills Lagrangian with the addition of the non-Abelian Chern-Simons-type term. We consider the spontaneous symmetry breaking of the model and inspect its spectrum in order to check if unitarity and causality are respected. An analysis of the topological structure is also carried out and we show that a 't Hooft-Polyakov solution for monopoles is still present.

Branchial placenta in the viviparous teleost Ilyodon whitei (Goodeidae).

PubMed

Uribe, Mari Carmen; De la Rosa-Cruz, Gabino; García-Alarcón, Adriana

2014-12-01

Intraluminal gestation, as it occurs in viviparous goodeids, allows a wide diversity of embryo-maternal metabolic exchanges. The branchial placenta occurs in embryos developing in intraluminal gestation when ovarian folds enter through the operculum, into the branchial chamber. The maternal ovarian folds may extend to the embryonic pharyngeal cavity. A branchial placenta has been observed in few viviparous teleosts, and there are not previous histological analyses. This study analysis the histological structure in the goodeid Ilyodon whitei. The moterno ovarian folds extend through the embryonic operculum and reach near the gills, occupying part of the branchial chamber. These folds extend also into the pharyngeal cavity. In some regions, the epithelia of the ovarian folds and embryo were in apposition, developing a placental structure in which, maternal and embryonic capillaries lie in close proximity. The maternal epithelium has desquamated cells which may enter through the branchial chamber to the pharyngeal cavity and the alimentary tract. The complex processes that occur in the ovaries of viviparous teleosts, and its diverse adaptations for viviparity, as the presence of branchial placenta, are relevant in the study of the evolution of vertebrate viviparity. © 2014 Wiley Periodicals, Inc.

Nonlinear finite element modeling of vibration control of plane rod-type structural members with integrated piezoelectric patches

NASA Astrophysics Data System (ADS)

Chróścielewski, Jacek; Schmidt, Rüdiger; Eremeyev, Victor A.

2018-05-01

This paper addresses modeling and finite element analysis of the transient large-amplitude vibration response of thin rod-type structures (e.g., plane curved beams, arches, ring shells) and its control by integrated piezoelectric layers. A geometrically nonlinear finite beam element for the analysis of piezolaminated structures is developed that is based on the Bernoulli hypothesis and the assumptions of small strains and finite rotations of the normal. The finite element model can be applied to static, stability, and transient analysis of smart structures consisting of a master structure and integrated piezoelectric actuator layers or patches attached to the upper and lower surfaces. Two problems are studied extensively: (i) FE analyses of a clamped semicircular ring shell that has been used as a benchmark problem for linear vibration control in several recent papers are critically reviewed and extended to account for the effects of structural nonlinearity and (ii) a smart circular arch subjected to a hydrostatic pressure load is investigated statically and dynamically in order to study the shift of bifurcation and limit points, eigenfrequencies, and eigenvectors, as well as vibration control for loading conditions which may lead to dynamic loss of stability.

A Bayesian Network Based Global Sensitivity Analysis Method for Identifying Dominant Processes in a Multi-physics Model

NASA Astrophysics Data System (ADS)

Dai, H.; Chen, X.; Ye, M.; Song, X.; Zachara, J. M.

2016-12-01

Sensitivity analysis has been an important tool in groundwater modeling to identify the influential parameters. Among various sensitivity analysis methods, the variance-based global sensitivity analysis has gained popularity for its model independence characteristic and capability of providing accurate sensitivity measurements. However, the conventional variance-based method only considers uncertainty contribution of single model parameters. In this research, we extended the variance-based method to consider more uncertainty sources and developed a new framework to allow flexible combinations of different uncertainty components. We decompose the uncertainty sources into a hierarchical three-layer structure: scenario, model and parametric. Furthermore, each layer of uncertainty source is capable of containing multiple components. An uncertainty and sensitivity analysis framework was then constructed following this three-layer structure using Bayesian network. Different uncertainty components are represented as uncertain nodes in this network. Through the framework, variance-based sensitivity analysis can be implemented with great flexibility of using different grouping strategies for uncertainty components. The variance-based sensitivity analysis thus is improved to be able to investigate the importance of an extended range of uncertainty sources: scenario, model, and other different combinations of uncertainty components which can represent certain key model system processes (e.g., groundwater recharge process, flow reactive transport process). For test and demonstration purposes, the developed methodology was implemented into a test case of real-world groundwater reactive transport modeling with various uncertainty sources. The results demonstrate that the new sensitivity analysis method is able to estimate accurate importance measurements for any uncertainty sources which were formed by different combinations of uncertainty components. The new methodology can provide useful information for environmental management and decision-makers to formulate policies and strategies.

Evaluation of sequence alignments and oligonucleotide probes with respect to three-dimensional structure of ribosomal RNA using ARB software package

PubMed Central

Kumar, Yadhu; Westram, Ralf; Kipfer, Peter; Meier, Harald; Ludwig, Wolfgang

2006-01-01

Background Availability of high-resolution RNA crystal structures for the 30S and 50S ribosomal subunits and the subsequent validation of comparative secondary structure models have prompted the biologists to use three-dimensional structure of ribosomal RNA (rRNA) for evaluating sequence alignments of rRNA genes. Furthermore, the secondary and tertiary structural features of rRNA are highly useful and successfully employed in designing rRNA targeted oligonucleotide probes intended for in situ hybridization experiments. RNA3D, a program to combine sequence alignment information with three-dimensional structure of rRNA was developed. Integration into ARB software package, which is used extensively by the scientific community for phylogenetic analysis and molecular probe designing, has substantially extended the functionality of ARB software suite with 3D environment. Results Three-dimensional structure of rRNA is visualized in OpenGL 3D environment with the abilities to change the display and overlay information onto the molecule, dynamically. Phylogenetic information derived from the multiple sequence alignments can be overlaid onto the molecule structure in a real time. Superimposition of both statistical and non-statistical sequence associated information onto the rRNA 3D structure can be done using customizable color scheme, which is also applied to a textual sequence alignment for reference. Oligonucleotide probes designed by ARB probe design tools can be mapped onto the 3D structure along with the probe accessibility models for evaluation with respect to secondary and tertiary structural conformations of rRNA. Conclusion Visualization of three-dimensional structure of rRNA in an intuitive display provides the biologists with the greater possibilities to carry out structure based phylogenetic analysis. Coupled with secondary structure models of rRNA, RNA3D program aids in validating the sequence alignments of rRNA genes and evaluating probe target sites. Superimposition of the information derived from the multiple sequence alignment onto the molecule dynamically allows the researchers to observe any sequence inherited characteristics (phylogenetic information) in real-time environment. The extended ARB software package is made freely available for the scientific community via . PMID:16672074

Recovery of Weak Factor Loadings When Adding the Mean Structure in Confirmatory Factor Analysis: A Simulation Study

PubMed Central

Ximénez, Carmen

2016-01-01

This article extends previous research on the recovery of weak factor loadings in confirmatory factor analysis (CFA) by exploring the effects of adding the mean structure. This issue has not been examined in previous research. This study is based on the framework of Yung and Bentler (1999) and aims to examine the conditions that affect the recovery of weak factor loadings when the model includes the mean structure, compared to analyzing the covariance structure alone. A simulation study was conducted in which several constraints were defined for one-, two-, and three-factor models. Results show that adding the mean structure improves the recovery of weak factor loadings and reduces the asymptotic variances for the factor loadings, particularly for the models with a smaller number of factors and a small sample size. Therefore, under certain circumstances, modeling the means should be seriously considered for covariance models containing weak factor loadings. PMID:26779071

Unpicking the signal thread of the sector web spider Zygiella x-notata

PubMed Central

Mortimer, Beth; Holland, Chris; Windmill, James F. C.; Vollrath, Fritz

2015-01-01

Remote sensing allows an animal to extend its morphology with appropriate conductive materials and sensors providing environmental feedback from spatially removed locations. For example, the sector web spider Zygiella x-notata uses a specialized thread as both a structural bridge and signal transmitter to monitor web vibrations from its retreat at the web perimeter. To unravel this model multifunctional system, we investigated Zygiella's signal thread structure with a range of techniques, including tensile testing, laser vibrometry, electron microscopy and behavioural analysis. We found that signal threads varied significantly in the number of filaments; a result of the spider adding a lifeline each time it runs along the bridge. Our mechanical property analysis suggests that while the structure varies, its normalized load does not. We propose that the signal thread represents a complex and fully integrated multifunctional structure where filaments can be added, thus increasing absolute load-bearing capacity while maintaining signal fidelity. We conclude that such structures may serve as inspiration for remote sensing design strategies. PMID:26674191

Resolving the Effects of Maternal and Offspring Genotype on Dyadic Outcomes in Genome Wide Complex Trait Analysis (“M-GCTA”)

PubMed Central

Pourcain, Beate St.; Smith, George Davey; York, Timothy P.; Evans, David M.

2014-01-01

Genome wide complex trait analysis (GCTA) is extended to include environmental effects of the maternal genotype on offspring phenotype (“maternal effects”, M-GCTA). The model includes parameters for the direct effects of the offspring genotype, maternal effects and the covariance between direct and maternal effects. Analysis of simulated data, conducted in OpenMx, confirmed that model parameters could be recovered by full information maximum likelihood (FIML) and evaluated the biases that arise in conventional GCTA when indirect genetic effects are ignored. Estimates derived from FIML in OpenMx showed very close agreement to those obtained by restricted maximum likelihood using the published algorithm for GCTA. The method was also applied to illustrative perinatal phenotypes from ∼4,000 mother-offspring pairs from the Avon Longitudinal Study of Parents and Children. The relative merits of extended GCTA in contrast to quantitative genetic approaches based on analyzing the phenotypic covariance structure of kinships are considered. PMID:25060210

Psychometric Properties of the Death Anxiety Scale-Extended among Patients with End-Stage Renal Disease.

PubMed

Sharif Nia, Hamid; Pahlevan Sharif, Saeed; Koocher, Gerald P; Yaghoobzadeh, Ameneh; Haghdoost, Ali Akbar; Mar Win, Ma Thin; Soleimani, Mohammad Ali

2017-01-01

This study aimed to evaluate the validity and reliability of the Persian version of Death Anxiety Scale-Extended (DAS-E). A total of 507 patients with end-stage renal disease completed the DAS-E. The factor structure of the scale was evaluated using exploratory factor analysis with an oblique rotation and confirmatory factor analysis. The content and construct validity of the DAS-E were assessed. Average variance extracted, maximum shared squared variance, and average shared squared variance were estimated to assess discriminant and convergent validity. Reliability was assessed using Cronbach's alpha coefficient (α = .839 and .831), composite reliability (CR = .845 and .832), Theta (θ = .893 and .867), and McDonald Omega (Ω = .796 and .743). The analysis indicated a two-factor solution. Reliability and discriminant validity of the factors was established. Findings revealed that the present scale was a valid and reliable instrument that can be used in assessment of death anxiety in Iranian patients with end-stage renal disease.

Structural Analysis of the Mn(IV)/Fe(III) Cofactor of Chlamydia Trachomatis Ribonucleotide Reductase By Extended X-Ray Absorption Fine Structure Spectroscopy And Density Functional Theory Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younker, J.M.; Krest, C.M.; Jiang, W.

2009-05-28

The class Ic ribonucleotide reductase from Chlamydia trachomatis (C{bar A}) uses a stable Mn(lV)/ Fe(lll) cofactor to initiate nucleotide reduction by a free-radical mechanism. Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations are used to postulate a structure for this cofactor. Fe and Mn K-edge EXAFS data yield an intermetallic distance of -2.92 {angstrom}. The Mn data also suggest the presence of a short 1.74 {angstrom} Mn-O bond. These metrics are compared to the results of DFT calculations on 12 cofactor models derived from the crystal structure of the inactive Fe2(lll/ III) form of themore » protein. Models are differentiated by the protonation states of their bridging and terminal OH{sub x} ligands as well as the location of the Mn(lV) ion (site 1 or 2). The models that agree best with experimental observation feature a{mu}-1, 3-carboxylate bridge (E120), terminal solvent (H{sub 2}O/OH) to site 1, one {mu}-O bridge, and one {mu}-OH bridge. The site-placement of the metal ions cannot be discerned from the available data.« less

Higher order structural effects stabilizing the reverse Watson–Crick Guanine-Cytosine base pair in functional RNAs

PubMed Central

Chawla, Mohit; Abdel-Azeim, Safwat; Oliva, Romina; Cavallo, Luigi

2014-01-01

The G:C reverse Watson–Crick (W:W trans) base pair, also known as Levitt base pair in the context of tRNAs, is a structurally and functionally important base pair that contributes to tertiary interactions joining distant domains in functional RNA molecules and also participates in metabolite binding in riboswitches. We previously indicated that the isolated G:C W:W trans base pair is a rather unstable geometry, and that dicationic metal binding to the Guanine base or posttranscriptional modification of the Guanine can increase its stability. Herein, we extend our survey and report on other H-bonding interactions that can increase the stability of this base pair. To this aim, we performed a bioinformatics search of the PDB to locate all the occurencies of G:C trans base pairs. Interestingly, 66% of the G:C trans base pairs in the PDB are engaged in additional H-bonding interactions with other bases, the RNA backbone or structured water molecules. High level quantum mechanical calculations on a data set of representative crystal structures were performed to shed light on the structural stability and energetics of the various crystallographic motifs. This analysis was extended to the binding of the preQ1 metabolite to a preQ1-II riboswitch. PMID:24121683

A Dual Super-Element Domain Decomposition Approach for Parallel Nonlinear Finite Element Analysis

NASA Astrophysics Data System (ADS)

Jokhio, G. A.; Izzuddin, B. A.

2015-05-01

This article presents a new domain decomposition method for nonlinear finite element analysis introducing the concept of dual partition super-elements. The method extends ideas from the displacement frame method and is ideally suited for parallel nonlinear static/dynamic analysis of structural systems. In the new method, domain decomposition is realized by replacing one or more subdomains in a "parent system," each with a placeholder super-element, where the subdomains are processed separately as "child partitions," each wrapped by a dual super-element along the partition boundary. The analysis of the overall system, including the satisfaction of equilibrium and compatibility at all partition boundaries, is realized through direct communication between all pairs of placeholder and dual super-elements. The proposed method has particular advantages for matrix solution methods based on the frontal scheme, and can be readily implemented for existing finite element analysis programs to achieve parallelization on distributed memory systems with minimal intervention, thus overcoming memory bottlenecks typically faced in the analysis of large-scale problems. Several examples are presented in this article which demonstrate the computational benefits of the proposed parallel domain decomposition approach and its applicability to the nonlinear structural analysis of realistic structural systems.

Quantitative atomic-scale structure characterization of ordered mesoporous carbon materials by solid state NMR

DOE PAGES

Wang, Zhuoran; Opembe, Naftali; Kobayashi, Takeshi; ...

2018-02-03

In this study, solid-state (SS)NMR techniques were applied to characterize the atomic-scale structures of ordered mesoporous carbon (OMC) materials prepared using Pluronic F127 as template with resorcinol and formaldehyde as polymerizing precursors. A rigorous quantitative analysis was developed using a combination of 13C SSNMR spectra acquired with direct polarization and cross polarization on natural abundant and selectively 13C-enriched series of samples pyrolyzed at various temperatures. These experiments identified and counted the key functional groups present in the OMCs at various stages of preparation and thermal treatment. Lastly, the chemical evolution of molecular networks, the average sizes of aromatic clusters andmore » the extended molecular structures of OMCs were then inferred by coupling this information with the elemental analysis results.« less

Quantitative atomic-scale structure characterization of ordered mesoporous carbon materials by solid state NMR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhuoran; Opembe, Naftali; Kobayashi, Takeshi

In this study, solid-state (SS)NMR techniques were applied to characterize the atomic-scale structures of ordered mesoporous carbon (OMC) materials prepared using Pluronic F127 as template with resorcinol and formaldehyde as polymerizing precursors. A rigorous quantitative analysis was developed using a combination of 13C SSNMR spectra acquired with direct polarization and cross polarization on natural abundant and selectively 13C-enriched series of samples pyrolyzed at various temperatures. These experiments identified and counted the key functional groups present in the OMCs at various stages of preparation and thermal treatment. Lastly, the chemical evolution of molecular networks, the average sizes of aromatic clusters andmore » the extended molecular structures of OMCs were then inferred by coupling this information with the elemental analysis results.« less

Bi-directional evolutionary optimization for photonic band gap structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Fei; School of Civil Engineering, Central South University, Changsha 410075; Huang, Xiaodong, E-mail: huang.xiaodong@rmit.edu.au

2015-12-01

Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gapsmore » from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.« less

Modeling ECM fiber formation: structure information extracted by analysis of 2D and 3D image sets

NASA Astrophysics Data System (ADS)

Wu, Jun; Voytik-Harbin, Sherry L.; Filmer, David L.; Hoffman, Christoph M.; Yuan, Bo; Chiang, Ching-Shoei; Sturgis, Jennis; Robinson, Joseph P.

2002-05-01

Recent evidence supports the notion that biological functions of extracellular matrix (ECM) are highly correlated to its structure. Understanding this fibrous structure is very crucial in tissue engineering to develop the next generation of biomaterials for restoration of tissues and organs. In this paper, we integrate confocal microscopy imaging and image-processing techniques to analyze the structural properties of ECM. We describe a 2D fiber middle-line tracing algorithm and apply it via Euclidean distance maps (EDM) to extract accurate fibrous structure information, such as fiber diameter, length, orientation, and density, from single slices. Based on a 2D tracing algorithm, we extend our analysis to 3D tracing via Euclidean distance maps to extract 3D fibrous structure information. We use computer simulation to construct the 3D fibrous structure which is subsequently used to test our tracing algorithms. After further image processing, these models are then applied to a variety of ECM constructions from which results of 2D and 3D traces are statistically analyzed.

The Use of Structural Analysis to Develop Antecedent-Based Interventions for Students with Autism

ERIC Educational Resources Information Center

Stichter, Janine P.; Randolph, Jena K.; Kay, Denise; Gage, Nicholas

2009-01-01

Evidence continues to maintain that the use of antecedent variables (i.e., instructional practices, and environmental characteristics) increase prosocial and adaptive behaviors of students with disabilities (e.g., Kern et al. in J Appl Behav Anal 27(1):7-19, 1994; Stichter et al. in Behav Disord 30:401-418, 2005). This study extends the literature…

Measurement of Responsibility: A Critical Evaluation of Level of Work Measurement by Time-Span of Discretion.

ERIC Educational Resources Information Center

Laner, S.; And Others

This report is a critical evaluation based on extended field trials and theoretical analysis of the time-span technique of measuring level of work in organizational hierarchies. It is broadly concluded that the technique does possess many of the desirable features claimed by its originator, but that earlier, less highly structured versions based…

Studying Cognition in Flux: A Historical Treatment of "Fu" in the Shifting Structure of Oksapmin Mathematics

ERIC Educational Resources Information Center

Saxe, Geoffrey B.; Esmonde, Indigo

2005-01-01

This article extends a framework for the study of culture-cognition relations to problems of historical research and diachronic analysis. As an illustrative case, we focus on mathematics in Oksapmin communities located in a remote highland area in central New Guinea. The Oksapmin, like their neighboring Mountain-Ok groups to the West,…

Sound Radiated by a Wave-Like Structure in a Compressible Jet

NASA Technical Reports Server (NTRS)

Golubev, V. V.; Prieto, A. F.; Mankbadi, R. R.; Dahl, M. D.; Hixon, R.

2003-01-01

This paper extends the analysis of acoustic radiation from the source model representing spatially-growing instability waves in a round jet at high speeds. Compared to previous work, a modified approach to the sound source modeling is examined that employs a set of solutions to linearized Euler equations. The sound radiation is then calculated using an integral surface method.

One method for life time estimation of a bucket wheel machine for coal moving

NASA Astrophysics Data System (ADS)

Vîlceanu, Fl; Iancu, C.

2016-08-01

Rehabilitation of outdated equipment with lifetime expired, or in the ultimate life period, together with high cost investments for their replacement, makes rational the efforts made to extend their life. Rehabilitation involves checking operational safety based on relevant expertise of metal structures supporting effective resistance and assessing the residual lifetime. The bucket wheel machine for coal constitute basic machine within deposits of coal of power plants. The estimate of remaining life can be done by checking the loading on the most stressed subassembly by Finite Element Analysis on a welding detail. The paper presents step-by-step the method of calculus applied in order to establishing the residual lifetime of a bucket wheel machine for coal moving using non-destructive methods of study (fatigue cracking analysis + FEA). In order to establish the actual state of machine and areas subject to study, was done FEA of this mining equipment, performed on the geometric model of mechanical analyzed structures, with powerful CAD/FEA programs. By applying the method it can be calculated residual lifetime, by extending the results from the most stressed area of the equipment to the entire machine, and thus saving time and money from expensive replacements.

Extended-hours hemodialysis is associated with lower mortality risk in patients with end-stage renal disease

PubMed Central

Rivara, Matthew B.; Adams, Scott V.; Kuttykrishnan, Sooraj; Kalantar-Zadeh, Kamyar; Arah, Onyebuchi A.; Cheung, Alfred K.; Katz, Ronit; Molnar, Miklos Z.; Ravel, Vanessa; Soohoo, Melissa; Streja, Elani; Himmelfarb, Jonathan; Mehrotra, Rajnish

2016-01-01

Extended-hours hemodialysis offers substantially longer treatment time compared to conventional hemodialysis schedules and is associated with improved fluid and electrolyte control and favorable cardiac remodeling. However, whether extended-hours hemodialysis improves survival remains unclear. Therefore, we determined the association between extended-hours compared to conventional hemodialysis and the risk of all-cause mortality in a nationally representative cohort of patients initiating maintenance dialysis in the United States from 2007 to 2011. Survival analyses using causal inference modeling with marginal structural models were performed to compare mortality risk among 1,206 individuals undergoing thrice weekly extended-hours hemodialysis or 111,707 patients receiving conventional hemodialysis treatments. The average treatment time per session for extended-hours hemodialysis was 399 minutes compared to 211 minutes for conventional therapy. The crude mortality rate with extended-hours hemodialysis was 6.4 deaths per 100 patient-years compared with 14.7 deaths per 100 patient-years for conventional hemodialysis. In the primary analysis, patients treated with extended-hours hemodialysis had a 33% lower adjusted risk of death compared to those who were treated with a conventional regimen (95% confidence interval: 7% to 51%). Additional analyses accounting for analytical assumptions regarding exposure and outcome, facility-level confounders, and prior modality history were similar. Thus, in this large nationally representative cohort, treatment with extended-hours hemodialysis was associated with a lower risk for mortality compared to treatment with conventional in-center therapy. Adequately powered randomized clinical trials comparing extended-hours to conventional hemodialysis are required to confirm these findings. PMID:27555118

A new pseudopolymorph of diphenic acid and 4,4‧-bipyridine co-crystal: Structural and theoretical study

NASA Astrophysics Data System (ADS)

Soleimannejad, Janet; Nazarnia, Esfandiar; Stoeckli-Evans, Helen

2014-11-01

A new pseudopolymorph (B; tetragonal, I41/acd) of the cocrystal biphenyl-2,2‧-dicarboxylic acid (diphenic acid) and 4,4‧-bipyridine was synthesized. Its solid-state structure and supramolecular synthons responsible for extending the supramolecular network have been compared with those of the previously reported polymorph (A; triclinic, P1bar). DFT calculations at the B3LYP/6-311G++ (2d,2p) level have been performed. Energies of the intermolecular hydrogen bonds in the crystal structure were calculated and their electronic aspects were investigated by NBO and AIM analysis.

Structure Analyses of Highly Symmetric Superstructures Formed by Rodlike Mesogen

NASA Astrophysics Data System (ADS)

Saito, Kazuya; Kutsumizu, Shoichi

Process of structure determination of liquid-crystalline superstructures formed in a mesogenic series, bis(n-alkoxybenzoyl)hydrazine[BABH(n) ; n, the number of carbon atoms in the alkoxy group], is described. The chain-length (n) dependence of relative diffraction intensities from the Ia3d phase resolves the phase problem, leading to the structural description that the molecular centers are on the rods forming two interpenetrating jungle gyms. Theoretical consideration on the stability of superstructures and systematic MEM analysis reveal the coexistence of two aggregation modes (rods forming an extending jungle gym and closed sheets forming spherical shells) for the Im3m phase.

On the performance of digital phase locked loops in the threshold region

NASA Technical Reports Server (NTRS)

Hurst, G. T.; Gupta, S. C.

1974-01-01

Extended Kalman filter algorithms are used to obtain a digital phase lock loop structure for demodulation of angle modulated signals. It is shown that the error variance equations obtained directly from this structure enable one to predict threshold if one retains higher frequency terms. This is in sharp contrast to the similar analysis of the analog phase lock loop, where the higher frequency terms are filtered out because of the low pass filter in the loop. Results are compared to actual simulation results and threshold region results obtained previously.

Study on structural recovery of graphite irradiated with swift heavy ions at high temperature

NASA Astrophysics Data System (ADS)

Pellemoine, F.; Avilov, M.; Bender, M.; Ewing, R. C.; Fernandes, S.; Lang, M.; Li, W. X.; Mittig, W.; Schein, M.; Severin, D.; Tomut, M.; Trautmann, C.; Zhang, F. X.

2015-12-01

Thin graphite foils bombarded with an intense high-energy (8.6 MeV/u) gold beam reaching fluences up to 1 × 1015 ions/cm2 lead to swelling and electrical resistivity changes. As shown earlier, these effects are diminished with increasing irradiation temperature. The work reported here extends the investigation of beam induced changes of these samples by structural analysis using synchrotron X-ray diffraction and transmission electron microscope. A nearly complete recovery from swelling at irradiation temperatures above about 1500 °C is identified.

Carbonate Biogenic Structures in Storrs Lake, Bahamas

NASA Technical Reports Server (NTRS)

Byrne, Monica; Morris, Penny A.; Wentworth, Susan J.; Brigmon, Robin L.; McKay, David S.

2001-01-01

Storr's Lake, an inland hypersaline lake on San Salvador Island, Bahamas, contains calcium carbonate-rich lithified mats of filamentous microorganisms, diatoms, associated photosynthetic and chemotrophic bacteria, and trapped sediment. In addition, 16S rRNA analysis indicates the presence of five sulfur-reducing genera of bacteria. These microbes are potential modern-day analogs to some ancient stromatolitic structures. The goals of this study are to identify unique compositional and biogenic features, possibly correlating some of these with some of the sulfate-reducing bacteria. Additional information is contained in the original extended abstract.

Scanning X-ray diffraction on cardiac tissue: automatized data analysis and processing.

PubMed

Nicolas, Jan David; Bernhardt, Marten; Markus, Andrea; Alves, Frauke; Burghammer, Manfred; Salditt, Tim

2017-11-01

A scanning X-ray diffraction study of cardiac tissue has been performed, covering the entire cross section of a mouse heart slice. To this end, moderate focusing by compound refractive lenses to micrometer spot size, continuous scanning, data acquisition by a fast single-photon-counting pixel detector, and fully automated analysis scripts have been combined. It was shown that a surprising amount of structural data can be harvested from such a scan, evaluating the local scattering intensity, interfilament spacing of the muscle tissue, the filament orientation, and the degree of anisotropy. The workflow of data analysis is described and a data analysis toolbox with example data for general use is provided. Since many cardiomyopathies rely on the structural integrity of the sarcomere, the contractile unit of cardiac muscle cells, the present study can be easily extended to characterize tissue from a diseased heart.

Learning to write in science: A study of English language learners' writing experience in sixth-grade science classrooms

NASA Astrophysics Data System (ADS)

Qi, Yang

Writing is a predictor of academic achievement and is essential for student success in content area learning. Despite its importance, many students, including English language learners (ELLs), struggle with writing. There is thus a need to study students' writing experience in content area classrooms. Informed by systemic functional linguistics, this study examined 11 ELL students' writing experience in two sixth grade science classrooms in a southeastern state of the United States, including what they wrote, how they wrote, and why they wrote in the way they did. The written products produced by these students over one semester were collected. Also collected were teacher interviews, field notes from classroom observations, and classroom artifacts. Student writing samples were first categorized into extended and nonextended writing categories, and each extended essay was then analyzed with respect to its schematic structure and grammatical features. Teacher interviews and classroom observation notes were analyzed thematically to identify teacher expectations, beliefs, and practices regarding writing instruction for ELLs. It was found that the sixth-grade ELLs engaged in mostly non-extended writing in the science classroom, with extended writing (defined as writing a paragraph or longer) constituting roughly 11% of all writing assignments. Linguistic analysis of extended writing shows that the students (a) conveyed information through nouns, verbs, adjectives, adverbial groups and prepositional phrases; (b) constructed interpersonal context through choices of mood, modality, and verb tense; and (c) structured text through thematic choices and conjunctions. The appropriateness of these lexicogrammatical choices for particular writing tasks was related to the students' English language proficiency levels. The linguistic analysis also uncovered several grammatical problems in the students' writing, including a limited range of word choices, inappropriate use of mood, inconsistency of verb tense, and overuse of reiterating thematic patterns and everyday conjunctions to structure and organize their writing. Thematic analysis of teacher interviews and classroom observations revealed that the teachers (a) held different expectations for English language learners than mainstream students, (b) rarely provided explicit instruction on science writing, and (c) did not see themselves as having a shared responsibility of teaching writing in their subject area, despite acknowledgement of the essential role that writing plays in promoting scientific literacy. These findings provide a snapshot of the writing experience that sixth-grade English language learners had in their science classrooms. They suggest that the ELLs needed language and literacy support in science learning, but such support was largely absent in the science classrooms. The implications of the findings for science teaching and teacher education, along with the limitations of the study, are discussed.

Extended performance solar electric propulsion thrust system study. Volume 4: Thruster technology evaluation

NASA Technical Reports Server (NTRS)

Poeschel, R. L.; Hawthorne, E. I.; Weisman, Y. C.; Frisman, M.; Benson, G. C.; Mcgrath, R. J.; Martinelli, R. M.; Linsenbardt, T. L.; Beattie, J. R.

1977-01-01

Several thrust system design concepts were evaluated and compared using the specifications of the most advanced 30 cm engineering model thruster as the technology base. Emphasis was placed on relatively high power missions (60 to 100 kW) such as a Halley's comet rendezvous. The extensions in thruster performance required for the Halley's comet mission were defined and alternative thrust system concepts were designed in sufficient detail for comparing mass, efficiency, reliability, structure, and thermal characteristics. Confirmation testing and analysis of thruster and power processing components were performed, and the feasibility of satisfying extended performance requirements was verified. A baseline design was selected from the alternatives considered, and the design analysis and documentation were refined. The baseline thrust system design features modular construction, conventional power processing, and a concentrator solar array concept and is designed to interface with the Space Shuttle.

Understanding Intention to Use Electronic Information Resources: A Theoretical Extension of the Technology Acceptance Model (TAM)

PubMed Central

Tao, Donghua

2008-01-01

This study extended the Technology Acceptance Model (TAM) by examining the roles of two aspects of e-resource characteristics, namely, information quality and system quality, in predicting public health students’ intention to use e-resources for completing research paper assignments. Both focus groups and a questionnaire were used to collect data. Descriptive analysis, data screening, and Structural Equation Modeling (SEM) techniques were used for data analysis. The study found that perceived usefulness played a major role in determining students’ intention to use e-resources. Perceived usefulness and perceived ease of use fully mediated the impact that information quality and system quality had on behavior intention. The research model enriches the existing technology acceptance literature by extending TAM. Representing two aspects of e-resource characteristics provides greater explanatory information for diagnosing problems of system design, development, and implementation. PMID:18999300

Understanding intention to use electronic information resources: A theoretical extension of the technology acceptance model (TAM).

PubMed

Tao, Donghua

2008-11-06

This study extended the Technology Acceptance Model (TAM) by examining the roles of two aspects of e-resource characteristics, namely, information quality and system quality, in predicting public health students' intention to use e-resources for completing research paper assignments. Both focus groups and a questionnaire were used to collect data. Descriptive analysis, data screening, and Structural Equation Modeling (SEM) techniques were used for data analysis. The study found that perceived usefulness played a major role in determining students' intention to use e-resources. Perceived usefulness and perceived ease of use fully mediated the impact that information quality and system quality had on behavior intention. The research model enriches the existing technology acceptance literature by extending TAM. Representing two aspects of e-resource characteristics provides greater explanatory information for diagnosing problems of system design, development, and implementation.

Extended performance solar electric propulsion thrust system study. Volume 2: Baseline thrust system

NASA Technical Reports Server (NTRS)

Poeschel, R. L.; Hawthorne, E. I.

1977-01-01

Several thrust system design concepts were evaluated and compared using the specifications of the most advanced 30- cm engineering model thruster as the technology base. Emphasis was placed on relatively high-power missions (60 to 100 kW) such as a Halley's comet rendezvous. The extensions in thruster performance required for the Halley's comet mission were defined and alternative thrust system concepts were designed in sufficient detail for comparing mass, efficiency, reliability, structure, and thermal characteristics. Confirmation testing and analysis of thruster and power-processing components were performed, and the feasibility of satisfying extended performance requirements was verified. A baseline design was selected from the alternatives considered, and the design analysis and documentation were refined. The baseline thrust system design features modular construction, conventional power processing, and a concentractor solar array concept and is designed to interface with the space shuttle.

49 CFR 229.5 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... of the end structures of a rail vehicle that extend vertically from the underframe to which they are... body structure of a locomotive. Fuel tank, internal means a fuel containment vessel that does not extend outside the car body structure of a locomotive. High voltage means an electrical potential of more...

High-Resolution Aeromagnetic Survey over the Yucatan Peninsula - Implications for Chicxulub Impact, Secondary Craters and Regional Crustal Structures

NASA Astrophysics Data System (ADS)

Fucugauchi, J. U.; Lopez-Loera, H.; Rebolledo-Vieyra, M.

2011-12-01

We present the initial results of a low-altitude high-resolution aeromagnetic study over the Yucatan peninsula. Area surveyed extends from 86W to 91W and 18N to 21N, covering the peninsula and adjacent continental margin of Gulf of Mexico and Caribbean Sea. Aeromagnetic surveys are integrated into a regional map, and regional and residual anomalies are separated using spectral and least-squares methods. For the study, aeromagnetic field was reduced to the pole and several data filtering techniques were used, including first and second vertical derivatives, analytical signal, and upward and downward analytical continuations. The region is characterized by large amplitude broad elongated magnetic anomalies oriented north-south in the northern sector of the continental shelf, and northwest-southeast and northeast-southwest over the western and eastern sides of the peninsula, respectively. Major regional anomalies extend from the continental shelf into the peninsula, whereas other anomaly trends in the central northern sector, at northeast limit of Chicxulub crater, are restricted to the shelf. Largest anomaly on the east extends over the Holbox fracture zone. At its southern end, south of Chetumal a parallel trend extends over the Rio Hondo fault zone between Quintana Roo and Belize. On the western peninsula the anomaly is characterized by two parallel trends offset between Yucatan and Campeche. The central zone of Chicxulub is characterized by a semi-circular anomaly pattern, surrounded by long wavelength small amplitude anomalies extending to the east on the peninsula and shelf, isolated from the regional broad anomalies. To the south of Chicxulub anomaly, there is an elongated low with a central high extending southward from the terrace zone inside the crater rim. The elongated magnetic anomaly correlates with a broad gravity low, which is apparent south of the concentric zone of anomalies. To the north of Chicxulub anomaly, a magnetic high inside the crater is followed by a low outside, which extend to the north and northwest. The regional broad anomalies crossing the peninsula and shelf are interpreted as crustal structures on the Yucatan block related to pre- and rifting deformation, which include basement uplift. The southward elongated magnetic anomaly and gravity low may correspond to a pre-impact structure. From analysis of residual anomalies, we found no clear indication of secondary craters or multiple impacts.

Mechanical Testing of IN718 Lattice Block Structures

NASA Technical Reports Server (NTRS)

Krause, David L.; Whittenberger, John D.; Kantzos, Pete T.; Hebsur, Mohan G.

2002-01-01

Lattice block construction produces a flat, structurally rigid panel composed of thin ligaments of material arranged in a three-dimensional triangulated truss-like structure. Low-cost methods of producing cast metallic lattice block panels are now available that greatly expand opportunities for using this unique material system in today's high-performance structures. Additional advances are being made in NASA's Ultra Efficient Engine Technology (UEET) program to extend the lattice block concept to superalloy materials. Advantages offered by this combination include high strength, light weight, high stiffness, and elevated temperature capabilities. Recently under UEET, the nickel-based superalloy Inconel 718 (IN718) was investment cast into lattice block panels with great success. To evaluate casting quality and lattice block architecture merit, individual ligaments, and structural subelement specimens were extracted from the panels. Tensile tests, structural compression, and bending strength tests were performed on these specimens. Fatigue testing was also completed for several bend test specimens. This paper first presents metallurgical and optical microscopy analysis of the castings. This is followed by mechanical test results for the tensile ligament tests and the subelement compression and bending strength tests, as well as for the fatigue tests that were performed. These tests generally showed comparable properties to base IN718 with the same heat treatment, and they underscored the benefits offered by lattice block materials. These benefits might be extended with improved architecture such as face sheets.

Parametric representation of weld fillets using shell finite elements—a proposal based on minimum stiffness and inertia errors

NASA Astrophysics Data System (ADS)

Echer, L.; Marczak, R. J.

2018-02-01

The objective of the present work is to introduce a methodology capable of modelling welded components for structural stress analysis. The modelling technique was based on the recommendations of the International Institute of Welding; however, some geometrical features of the weld fillet were used as design parameters in an optimization problem. Namely, the weld leg length and thickness of the shell elements representing the weld fillet were optimized in such a way that the first natural frequencies were not changed significantly when compared to a reference result. Sequential linear programming was performed for T-joint structures corresponding to two different structural details: with and without full penetration weld fillets. Both structural details were tested in scenarios of various plate thicknesses and depths. Once the optimal parameters were found, a modelling procedure was proposed for T-shaped components. Furthermore, the proposed modelling technique was extended for overlapped welded joints. The results obtained were compared to well-established methodologies presented in standards and in the literature. The comparisons included results for natural frequencies, total mass and structural stress. By these comparisons, it was observed that some established practices produce significant errors in the overall stiffness and inertia. The methodology proposed herein does not share this issue and can be easily extended to other types of structure.

Statistical scaling of pore-scale Lagrangian velocities in natural porous media.

PubMed

Siena, M; Guadagnini, A; Riva, M; Bijeljic, B; Pereira Nunes, J P; Blunt, M J

2014-08-01

We investigate the scaling behavior of sample statistics of pore-scale Lagrangian velocities in two different rock samples, Bentheimer sandstone and Estaillades limestone. The samples are imaged using x-ray computer tomography with micron-scale resolution. The scaling analysis relies on the study of the way qth-order sample structure functions (statistical moments of order q of absolute increments) of Lagrangian velocities depend on separation distances, or lags, traveled along the mean flow direction. In the sandstone block, sample structure functions of all orders exhibit a power-law scaling within a clearly identifiable intermediate range of lags. Sample structure functions associated with the limestone block display two diverse power-law regimes, which we infer to be related to two overlapping spatially correlated structures. In both rocks and for all orders q, we observe linear relationships between logarithmic structure functions of successive orders at all lags (a phenomenon that is typically known as extended power scaling, or extended self-similarity). The scaling behavior of Lagrangian velocities is compared with the one exhibited by porosity and specific surface area, which constitute two key pore-scale geometric observables. The statistical scaling of the local velocity field reflects the behavior of these geometric observables, with the occurrence of power-law-scaling regimes within the same range of lags for sample structure functions of Lagrangian velocity, porosity, and specific surface area.

Preparation of Desirable Porous Cell Structure Polylactide/Wood Flour Composite Foams Assisted by Chain Extender

PubMed Central

Wang, Youyong; Song, Yongming; Du, Jun; Xi, Zhenhao; Wang, Qingwen

2017-01-01

Polylactide (PLA)/wood flour composite foam were prepared through a batch foaming process. The effect of the chain extender on the crystallization behavior and dynamic rheological properties of the PLA/wood flour composites were investigated as well as the crystal structure and cell morphology of the composite foams. The incorporation of the chain extender enhanced the complex viscosity and storage modulus of PLA/wood flour composites, indicating the improved melt elasticity. The chain extender also led to a decreased crystallization rate and final crystallinity of PLA/wood flour composites. With an increasing chain extender content, a finer and more uniform cell structure was formed, and the expansion ratio of PLA/wood flour composite foams was much higher than without the chain extender. Compared to the unfoamed composites, the crystallinity of the foamed PLA/wood flour composites was improved and the crystal was loosely packed. However, the new crystalline form was not evident. PMID:28846604

Performance of Extended Local Clustering Organization (LCO) for Large Scale Job-Shop Scheduling Problem (JSP)

NASA Astrophysics Data System (ADS)

Konno, Yohko; Suzuki, Keiji

This paper describes an approach to development of a solution algorithm of a general-purpose for large scale problems using “Local Clustering Organization (LCO)” as a new solution for Job-shop scheduling problem (JSP). Using a performance effective large scale scheduling in the study of usual LCO, a solving JSP keep stability induced better solution is examined. In this study for an improvement of a performance of a solution for JSP, processes to a optimization by LCO is examined, and a scheduling solution-structure is extended to a new solution-structure based on machine-division. A solving method introduced into effective local clustering for the solution-structure is proposed as an extended LCO. An extended LCO has an algorithm which improves scheduling evaluation efficiently by clustering of parallel search which extends over plural machines. A result verified by an application of extended LCO on various scale of problems proved to conduce to minimizing make-span and improving on the stable performance.

Practical guidelines to select and scale earthquake records for nonlinear response history analysis of structures

USGS Publications Warehouse

Kalkan, Erol; Chopra, Anil K.

2010-01-01

Earthquake engineering practice is increasingly using nonlinear response history analysis (RHA) to demonstrate performance of structures. This rigorous method of analysis requires selection and scaling of ground motions appropriate to design hazard levels. Presented herein is a modal-pushover-based scaling (MPS) method to scale ground motions for use in nonlinear RHA of buildings and bridges. In the MPS method, the ground motions are scaled to match (to a specified tolerance) a target value of the inelastic deformation of the first-'mode' inelastic single-degree-of-freedom (SDF) system whose properties are determined by first-'mode' pushover analysis. Appropriate for first-?mode? dominated structures, this approach is extended for structures with significant contributions of higher modes by considering elastic deformation of second-'mode' SDF system in selecting a subset of the scaled ground motions. Based on results presented for two bridges, covering single- and multi-span 'ordinary standard' bridge types, and six buildings, covering low-, mid-, and tall building types in California, the accuracy and efficiency of the MPS procedure are established and its superiority over the ASCE/SEI 7-05 scaling procedure is demonstrated.

Refractive effects and Airy structure in inelastic 16O+12C rainbow scattering

NASA Astrophysics Data System (ADS)

Ohkubo, S.; Hirabayashi, Y.; Ogloblin, A. A.; Gloukhov, Yu. A.; Dem'yanova, A. S.; Trzaska, W. H.

2014-12-01

Inelastic 16O+12C rainbow scattering to the 2+ (4.44 MeV) state of 12C was measured at the incident energies, EL = 170, 181, 200, 260, and 281 MeV. A systematic analysis of the experimental angular distributions was performed using the coupled-channels method with an extended double folding potential derived from realistic wave functions for 12C and 16O calculated with a microscopic α cluster model and a finite-range density-dependent nucleon-nucleon force. The coupled-channels analysis of the measured inelastic-scattering data shows consistently some Airy-like structure in the inelastic-scattering cross sections for the first 2+ state of 12C, which is somewhat obscured and still not clearly visible in the measured data. The Airy minimum was identified from the analysis and the systematic energy evolution of the Airy structure was studied. The Airy minimum in inelastic scattering is found to be shifted backward compared with that in elastic scattering.

Modal-pushover-based ground-motion scaling procedure

USGS Publications Warehouse

Kalkan, Erol; Chopra, Anil K.

2011-01-01

Earthquake engineering is increasingly using nonlinear response history analysis (RHA) to demonstrate the performance of structures. This rigorous method of analysis requires selection and scaling of ground motions appropriate to design hazard levels. This paper presents a modal-pushover-based scaling (MPS) procedure to scale ground motions for use in a nonlinear RHA of buildings. In the MPS method, the ground motions are scaled to match to a specified tolerance, a target value of the inelastic deformation of the first-mode inelastic single-degree-of-freedom (SDF) system whose properties are determined by the first-mode pushover analysis. Appropriate for first-mode dominated structures, this approach is extended for structures with significant contributions of higher modes by considering elastic deformation of second-mode SDF systems in selecting a subset of the scaled ground motions. Based on results presented for three actual buildings-4, 6, and 13-story-the accuracy and efficiency of the MPS procedure are established and its superiority over the ASCE/SEI 7-05 scaling procedure is demonstrated.

Multiple methods integration for structural mechanics analysis and design

NASA Technical Reports Server (NTRS)

Housner, J. M.; Aminpour, M. A.

1991-01-01

A new research area of multiple methods integration is proposed for joining diverse methods of structural mechanics analysis which interact with one another. Three categories of multiple methods are defined: those in which a physical interface are well defined; those in which a physical interface is not well-defined, but selected; and those in which the interface is a mathematical transformation. Two fundamental integration procedures are presented that can be extended to integrate various methods (e.g., finite elements, Rayleigh Ritz, Galerkin, and integral methods) with one another. Since the finite element method will likely be the major method to be integrated, its enhanced robustness under element distortion is also examined and a new robust shell element is demonstrated.

NASA Langley developments in response calculations needed for failure and life prediction

NASA Technical Reports Server (NTRS)

Housner, Jerrold M.

1993-01-01

NASA Langley developments in response calculations needed for failure and life predictions are discussed. Topics covered include: structural failure analysis in concurrent engineering; accuracy of independent regional modeling demonstrated on classical example; functional interface method accurately joins incompatible finite element models; interface method for insertion of local detail modeling extended to curve pressurized fuselage window panel; interface concept for joining structural regions; motivation for coupled 2D-3D analysis; compression panel with discontinuous stiffener coupled 2D-3D model and axial surface strains at the middle of the hat stiffener; use of adaptive refinement with multiple methods; adaptive mesh refinement; and studies on quantity effect of bow-type initial imperfections on reliability of stiffened panels.

Analysis of mixed-layer clay mineral structures

USGS Publications Warehouse

Bradley, W.F.

1953-01-01

Among the enormously abundant natural occurrences of clay minerals, many examples are encountered in which no single specific crystallization scheme extends through a single ultimate grain. The characterization of such assemblages becomes an analysis of the distribution of matter within such grains, rather than the simple identification of mineral species. It having become established that the particular coordination complex typified by mica is a common component of many natural subcrystalline assemblages, the opportunity is afforded to analyze scattering from random associations of these complexes with other structural units. Successful analyses have been made of mixed hydration states of montmorillonite, of montmorillonite with mica, of vermiculite with mica, and of montmorillonite with chlorite, all of which are variants of the mica complex, and of halloysite with hydrated halloysite.

Commercial non-aerospace technology transfer program for the 2000s: Strategic analysis and implementation

NASA Technical Reports Server (NTRS)

Horsham, Gary A. P.

1992-01-01

This report presents a strategic analysis and implementation plan for NASA's Office of Commercial Programs (OCP), Technology Transfer Division's (TTD), Technology Transfer Program. The main objectives of this study are to: (1) characterize the NASA TTD's environment and past organizational structure; (2) clearly identify current and prospective programmatic efforts; (3) determine an evolutionary view of an organizational structure which could lead to the accomplishment of NASA's future technology transfer aims; and (4) formulate a strategy and plan to improve NASA's (and other federal agencies) ability to transfer technology to the non-aerospace sectors of the U.S. economy. The planning horizon for this study extends through the remainder of the 1990s to the year 2000.

High Throughput Light Absorber Discovery, Part 2: Establishing Structure-Band Gap Energy Relationships.

PubMed

Suram, Santosh K; Newhouse, Paul F; Zhou, Lan; Van Campen, Douglas G; Mehta, Apurva; Gregoire, John M

2016-11-14

Combinatorial materials science strategies have accelerated materials development in a variety of fields, and we extend these strategies to enable structure-property mapping for light absorber materials, particularly in high order composition spaces. High throughput optical spectroscopy and synchrotron X-ray diffraction are combined to identify the optical properties of Bi-V-Fe oxides, leading to the identification of Bi 4 V 1.5 Fe 0.5 O 10.5 as a light absorber with direct band gap near 2.7 eV. The strategic combination of experimental and data analysis techniques includes automated Tauc analysis to estimate band gap energies from the high throughput spectroscopy data, providing an automated platform for identifying new optical materials.

Extended work availability and its relation with start-of-day mood and cortisol.

PubMed

Dettmers, Jan; Vahle-Hinz, Tim; Bamberg, Eva; Friedrich, Niklas; Keller, Monika

2016-01-01

The opportunity to work at any time and place, which is facilitated by mobile communication technologies, reinforces employer expectations that employees are available for work beyond regular work hours. This study investigates the relation of daily extended work availability with psychological and physiological well-being and the mediating role of recovery experiences. We hypothesized that recovery is limited under conditions of extended work availability, which may impair well-being. A sample of 132 individuals from 13 organizations provided daily survey measures over a period of 4 days during which they were required to be available during nonworking hours and 4 days during which they were not required to be available. A subsample of 51 persons provided morning cortisol levels in addition to the survey data. The analysis of within-person processes using multilevel structural equation modeling revealed significant effects of extended work availability on the daily start-of-day mood and cortisol awakening response. Mediation analysis revealed that the recovery experience of control over off-job activities mediated the observed relationship with start-of-day mood but not the relationship with the cortisol awakening response. The results demonstrate that nonwork hours during which employees are required to remain available for work cannot be considered leisure time because employees' control over their activities is constrained and their recovery from work is restricted. (c) 2016 APA, all rights reserved).

Preliminary neutron crystallographic analysis of selectively CH3-protonated, deuterated rubredoxin from Pyrococcus furiosus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiss, Kevin L; Meilleur, Flora; Blakeley, Matthew

2008-01-01

Neutron crystallography is used to locate hydrogen atoms in biological materials and can distinguish between negatively scattering hydrogen and positively scattering deuterium substituted positions in isomorphous neutron structures. Recently, Hauptman and Langs (2003) have shown that neutron diffraction data can be used to solve macromolecular structures by direct methods and that solution is aided by the presence of negatively scattering hydrogen atoms in the structure. Selective labeling protocols allow the design and production of H/D-labeled macromolecular structures in which the ratio of hydrogen to deuterium atoms can be precisely controlled. We have applied methyl-selective labeling protocols to introduce (1H-delta methyl)-leucinemore » and (1H-gamma methyl)-valine into deuterated rubredoxin from Pyrococcus furiosus (PfRd). Here we report on the production, crystallization, and preliminary neutron analysis of the selectively CH3-protonated, deuterated PfRd sample, which provided a high quality neutron data set extending to 1.75 resolution at the new LADI-III instrument at the Insititut Laue-Langevin. Preliminary analysis of neutron density maps allows unambiguous assignment of the positions of hydrogen atoms at the methyl groups of the valine and leucine residues in the otherwise deuterated rubredoxin structure.« less

Local Fine Structural Insight into Mechanism of Electrochemical Passivation of Titanium.

PubMed

Wang, Lu; Yu, Hongying; Wang, Ke; Xu, Haisong; Wang, Shaoyang; Sun, Dongbai

2016-07-20

Electrochemically formed passive film on titanium in 1.0 M H2SO4 solution and its thickness, composition, chemical state, and local fine structure are examined by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure. AES analysis reveals that the thickness and composition of oxide film are proportional to the reciprocal of current density in potentiodynamic polarization. XPS depth profiles of the chemical states of titanium exhibit the coexistence of various valences cations in the surface. Quantitative X-ray absorption near edge structure analysis of the local electronic structure of the topmost surface (∼5.0 nm) shows that the ratio of [TiO2]/[Ti2O3] is consistent with that of passivation/dissolution of electrochemical activity. Theoretical calculation and analysis of extended X-ray absorption fine structure spectra at Ti K-edge indicate that both the structures of passivation and dissolution are distorted caused by the appearance of two different sites of Ti-O and Ti-Ti. And the bound water in the topmost surface plays a vital role in structural disorder confirmed by XPS. Overall, the increase of average Ti-O coordination causes the electrochemical passivation, and the dissolution is due to the decrease of average Ti-Ti coordination. The structural variations of passivation in coordination number and interatomic distance are in good agreement with the prediction of point defect model.

Pteros: fast and easy to use open-source C++ library for molecular analysis.

PubMed

Yesylevskyy, Semen O

2012-07-15

An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. Copyright © 2012 Wiley Periodicals, Inc.

Thermal shields for gas turbine rotor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ross, Christopher W.; Acar, Bulent

A turbomachine including a rotor having an axis and a plurality of disks positioned adjacent to each other in the axial direction, each disk including opposing axially facing surfaces and a circumferentially extending radially facing surface located between the axially facing surfaces. At least one row of blades is positioned on each of the disks, and the blades include an airfoil extending radially outward from the disk A non-segmented circumferentially continuous ring structure includes an outer rim defining a thermal barrier extending axially in overlapping relation over a portion of the radially facing surface of at least one disk, andmore » extending to a location adjacent to a blade on the disk A compliant element is located between a radially inner circumferential portion of the ring structure and a flange structure that extends axially from an axially facing surface of the disk.« less

Mathematical analysis of compressive/tensile molecular and nuclear structures

NASA Astrophysics Data System (ADS)

Wang, Dayu

Mathematical analysis in chemistry is a fascinating and critical tool to explain experimental observations. In this dissertation, mathematical methods to present chemical bonding and other structures for many-particle systems are discussed at different levels (molecular, atomic, and nuclear). First, the tetrahedral geometry of single, double, or triple carbon-carbon bonds gives an unsatisfying demonstration of bond lengths, compared to experimental trends. To correct this, Platonic solids and Archimedean solids were evaluated as atoms in covalent carbon or nitrogen bond systems in order to find the best solids for geometric fitting. Pentagonal solids, e.g. the dodecahedron and icosidodecahedron, give the best fit with experimental bond lengths; an ideal pyramidal solid which models covalent bonds was also generated. Second, the macroscopic compression/tension architectural approach was applied to forces at the molecular level, considering atomic interactions as compressive (repulsive) and tensile (attractive) forces. Two particle interactions were considered, followed by a model of the dihydrogen molecule (H2; two protons and two electrons). Dihydrogen was evaluated as two different types of compression/tension structures: a coaxial spring model and a ring model. Using similar methods, covalent diatomic molecules (made up of C, N, O, or F) were evaluated. Finally, the compression/tension model was extended to the nuclear level, based on the observation that nuclei with certain numbers of protons/neutrons (magic numbers) have extra stability compared to other nucleon ratios. A hollow spherical model was developed that combines elements of the classic nuclear shell model and liquid drop model. Nuclear structure and the trend of the "island of stability" for the current and extended periodic table were studied.

Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry.

PubMed

Allen, Frank H; Motherwell, W D Samuel

2002-06-01

The Cambridge Structural Database (CSD) and its associated software systems have formed the basis for more than 800 research applications in structural chemistry, crystallography and the life sciences. Relevant references, dating from the mid-1970s, and brief synopses of these papers are collected in a database, DBUse, which is freely available via the CCDC website. This database has been used to review research applications of the CSD in organic chemistry, including supramolecular applications, and in organic crystal chemistry. The review concentrates on applications that have been published since 1990 and covers a wide range of topics, including structure correlation, conformational analysis, hydrogen bonding and other intermolecular interactions, studies of crystal packing, extended structural motifs, crystal engineering and polymorphism, and crystal structure prediction. Applications of CSD information in studies of crystal structure precision, the determination of crystal structures from powder diffraction data, together with applications in chemical informatics, are also discussed.

Applications of x ray absorption fine structure to the in situ study of the effect of cobalt in nickel hydrous oxide electrodes for fuel cells and rechargeable batteries

NASA Technical Reports Server (NTRS)

Kim, Sunghyun; Tryk, Donald A.; Scherson, Daniel A.; Antonio, Mark R.

1993-01-01

Electronic and structural aspects of composite nickel-cobalt hydrous oxides have been examined in alkaline solutions using in situ X-ray absorption fine structure (XAFS). The results obtained have indicated that cobalt in this material is present as cobaltic ions regardless of the oxidation state of nickel in the lattice. Furthermore, careful analysis of the Co K-edge Extended X-ray absorption fine structure data reveals that the co-electrodeposition procedure generates a single phase, mixed metal hydrous oxide, in which cobaltic ions occupy nickel sites in the NiO2 sheet-like layers and not two intermixed phases each consisting of a single metal hydrous oxide.

Swift heavy ion irradiation of Pt nanocrystals: II. Structural changes and H desorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giulian, R.; Araujo, L.L.; Kluth, P.

2014-09-24

The structural properties and H desorption from embedded Pt nanocrystals (NCs) following irradiation with swift heavy ions were investigated as a function of energy and fluence. From x-ray absorption near-edge spectroscopy analysis, Pt-H bonding was identified in NCs annealed in a forming gas (95% N{sub 2} + 5% H{sub 2}) ambient. The H content decreased upon irradiation and the desorption process was NC-size dependent such that larger NCs required a higher fluence to achieve a H-free state. Pt-H bonding and NC dissolution both perturbed the NC structural parameters (coordination number, bond-length and mean-square relative displacement) as determined with extended x-raymore » absorption fine structure measurements.« less

The three-dimensional structure of "Lonely Guy" from Claviceps purpurea provides insights into the phosphoribohydrolase function of Rossmann fold-containing lysine decarboxylase-like proteins.

PubMed

Dzurová, Lenka; Forneris, Federico; Savino, Simone; Galuszka, Petr; Vrabka, Josef; Frébort, Ivo

2015-08-01

The recently discovered cytokinin (CK)-specific phosphoribohydrolase "Lonely Guy" (LOG) is a key enzyme of CK biosynthesis, converting inactive CK nucleotides into biologically active free bases. We have determined the crystal structures of LOG from Claviceps purpurea (cpLOG) and its complex with the enzymatic product phosphoribose. The structures reveal a dimeric arrangement of Rossmann folds, with the ligands bound to large pockets at the interface between cpLOG monomers. Structural comparisons highlight the homology of cpLOG to putative lysine decarboxylases. Extended sequence analysis enabled identification of a distinguishing LOG sequence signature. Taken together, our data suggest phosphoribohydrolase activity for several proteins of unknown function. © 2015 Wiley Periodicals, Inc.

LATDYN - PROGRAM FOR SIMULATION OF LARGE ANGLE TRANSIENT DYNAMICS OF FLEXIBLE AND RIGID STRUCTURES

NASA Technical Reports Server (NTRS)

Housner, J. M.

1994-01-01

LATDYN is a computer code for modeling the Large Angle Transient DYNamics of flexible articulating structures and mechanisms involving joints about which members rotate through large angles. LATDYN extends and brings together some of the aspects of Finite Element Structural Analysis, Multi-Body Dynamics, and Control System Analysis; three disciplines that have been historically separate. It combines significant portions of their distinct capabilities into one single analysis tool. The finite element formulation for flexible bodies in LATDYN extends the conventional finite element formulation by using a convected coordinate system for constructing the equation of motion. LATDYN's formulation allows for large displacements and rotations of finite elements subject to the restriction that deformations within each are small. Also, the finite element approach implemented in LATDYN provides a convergent path for checking solutions simply by increasing mesh density. For rigid bodies and joints LATDYN borrows extensively from methodology used in multi-body dynamics where rigid bodies may be defined and connected together through joints (hinges, ball, universal, sliders, etc.). Joints may be modeled either by constraints or by adding joint degrees of freedom. To eliminate error brought about by the separation of structural analysis and control analysis, LATDYN provides symbolic capabilities for modeling control systems which are integrated with the structural dynamic analysis itself. Its command language contains syntactical structures which perform symbolic operations which are also interfaced directly with the finite element structural model, bypassing the modal approximation. Thus, when the dynamic equations representing the structural model are integrated, the equations representing the control system are integrated along with them as a coupled system. This procedure also has the side benefit of enabling a dramatic simplification of the user interface for modeling control systems. Three FORTRAN computer programs, the LATDYN Program, the Preprocessor, and the Postprocessor, make up the collective LATDYN System. The Preprocessor translates user commands into a form which can be used while the LATDYN program provides the computational core. The Postprocessor allows the user to interactively plot and manage a database of LATDYN transient analysis results. It also includes special facilities for modeling control systems and for programming changes to the model which take place during analysis sequence. The documentation includes a Demonstration Problem Manual for the evaluation and verification of results and a Postprocessor guide. Because the program should be viewed as a byproduct of research on technology development, LATDYN's scope is limited. It does not have a wide library of finite elements, and 3-D Graphics are not available. Nevertheless, it does have a measure of "user friendliness". The LATDYN program was developed over a period of several years and was implemented on a CDC NOS/VE & Convex Unix computer. It is written in FORTRAN 77 and has a virtual memory requirement of 1.46 MB. The program was validated on a DEC MICROVAX operating under VMS 5.2.

High symmetry effects on hydrogen bond rearrangement: The 4.1 THz vibrational band of (D2O)4

NASA Astrophysics Data System (ADS)

Brown, Mac G.; Keutsch, Frank N.; Braly, Linda B.; Saykally, Richard J.

1999-11-01

Vibration-rotation-tunneling (VRT) spectroscopy has been extended to the 4 THz spectral region through the observation of a second intermolecular vibration of (D2O)4. Analysis of the precisely measured perpendicular transition confirms the previously reported cyclic homodromic structure and reveals a dramatically increased (30×) hydrogen bond rearrangement rate in the excited state.

X-ray absorption spectroscopy: EXAFS (Extended X-ray Absorption Fine Structure) and XANES (X-ray Absorption Near Edge Structure)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alp, E.E.; Mini, S.M.; Ramanathan, M.

1990-04-01

The x-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. It has also played an important role in the discovery and systematization of rare-earth elements. The discovery of synchrotron radiation in 1952, and later the availability of broadly tunable synchrotron based x-ray sources have revitalized this technique since the 1970's. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge by Sayers et. al. has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-raymore » Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. An excellent description of the principles and data analysis techniques of EXAFS is given by Teo. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, we will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and samples limitations.« less

Behavior sensitivities for control augmented structures

NASA Technical Reports Server (NTRS)

Manning, R. A.; Lust, R. V.; Schmit, L. A.

1987-01-01

During the past few years it has been recognized that combining passive structural design methods with active control techniques offers the prospect of being able to find substantially improved designs. These developments have stimulated interest in augmenting structural synthesis by adding active control system design variables to those usually considered in structural optimization. An essential step in extending the approximation concepts approach to control augmented structural synthesis is the development of a behavior sensitivity analysis capability for determining rates of change of dynamic response quantities with respect to changes in structural and control system design variables. Behavior sensitivity information is also useful for man-machine interactive design as well as in the context of system identification studies. Behavior sensitivity formulations for both steady state and transient response are presented and the quality of the resulting derivative information is evaluated.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Lidong; Zhou, Lu; Ould-Chikh, Samy

Surface composition and structure are of vital importance for heterogeneous catalysts, especially for bimetallic catalysts, which often vary as a function of reaction conditions (known as surface segregation). The preparation of bimetallic catalysts with controlled metal surface composition and structure is very challenging. In this study, we synthesize a series of Ni/Pt bimetallic catalysts with controlled metal surface composition and structure using a method derived from surface organometallic chemistry. The evolution of the surface composition and structure of the obtained bimetallic catalysts under simulated reaction conditions is investigated by various techniques, which include CO-probe IR spectroscopy, high-angle annular dark-field scanningmore » transmission electron microscopy, energy-dispersive X-ray spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near-edge structure analysis, XRD, and X-ray photoelectron spectroscopy. It is demonstrated that the structure of the bimetallic catalyst is evolved from Pt monolayer island-modified Ni nanoparticles to core–shell bimetallic nanoparticles composed of a Ni-rich core and a Ni/Pt alloy shell upon thermal treatment. As a result, these catalysts are active for the dry reforming of methane, and their catalytic activities, stabilities, and carbon formation vary with their surface composition and structure.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Lidong; Zhou, Lu; Ould-Chikh, Samy

The surface composition and structure are of vital importance for heterogeneous catalysts, especially for bimetallic catalysts, which often vary as a function of reaction conditions (known as surface segregation). The preparation of bimetallic catalysts with controlled metal surface composition and structure is very challenging. In this study, we synthesize a series of Ni/Pt bimetallic catalysts with controlled metal surface composition and structure using a method derived from surface organometallic chemistry. Moreover, the evolution of the surface composition and structure of the obtained bimetallic catalysts under simulated reaction conditions is investigated by various techniques, which include CO-probe IR spectroscopy, high-angle annularmore » dark-field scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near-edge structure analysis, XRD, and X-ray photoelectron spectroscopy. It is demonstrated that the structure of the bimetallic catalyst is evolved from Pt monolayer island-modified Ni nanoparticles to core–shell bimetallic nanoparticles composed of a Ni-rich core and a Ni/Pt alloy shell upon thermal treatment. The catalysts are active for the dry reforming of methane, and their catalytic activities, stabilities, and carbon formation vary with their surface composition and structure.« less

Network topology for the formation of solvated electrons in binary CaO–Al2O3 composition glasses

PubMed Central

Akola, Jaakko; Kohara, Shinji; Ohara, Koji; Fujiwara, Akihiko; Watanabe, Yasuhiro; Masuno, Atsunobu; Usuki, Takeshi; Kubo, Takashi; Nakahira, Atsushi; Nitta, Kiyofumi; Uruga, Tomoya; Weber, J. K. Richard; Benmore, Chris J.

2013-01-01

Glass formation in the CaO–Al2O3 system represents an important phenomenon because it does not contain typical network-forming cations. We have produced structural models of CaO–Al2O3 glasses using combined density functional theory–reverse Monte Carlo simulations and obtained structures that reproduce experiments (X-ray and neutron diffraction, extended X-ray absorption fine structure) and result in cohesive energies close to the crystalline ground states. The O–Ca and O–Al coordination numbers are similar in the eutectic 64 mol % CaO (64CaO) glass [comparable to 12CaO·7Al2O3 (C12A7)], and the glass structure comprises a topologically disordered cage network with large-sized rings. This topologically disordered network is the signature of the high glass-forming ability of 64CaO glass and high viscosity in the melt. Analysis of the electronic structure reveals that the atomic charges for Al are comparable to those for Ca, and the bond strength of Al–O is stronger than that of Ca–O, indicating that oxygen is more weakly bound by cations in CaO-rich glass. The analysis shows that the lowest unoccupied molecular orbitals occurs in cavity sites, suggesting that the C12A7 electride glass [Kim SW, Shimoyama T, Hosono H (2011) Science 333(6038):71–74] synthesized from a strongly reduced high-temperature melt can host solvated electrons and bipolarons. Calculations of 64CaO glass structures with few subtracted oxygen atoms (additional electrons) confirm this observation. The comparable atomic charges and coordination of the cations promote more efficient elemental mixing, and this is the origin of the extended cage structure and hosted solvated (trapped) electrons in the C12A7 glass. PMID:23723350

Network topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses.

PubMed

Akola, Jaakko; Kohara, Shinji; Ohara, Koji; Fujiwara, Akihiko; Watanabe, Yasuhiro; Masuno, Atsunobu; Usuki, Takeshi; Kubo, Takashi; Nakahira, Atsushi; Nitta, Kiyofumi; Uruga, Tomoya; Weber, J K Richard; Benmore, Chris J

2013-06-18

Glass formation in the CaO-Al2O3 system represents an important phenomenon because it does not contain typical network-forming cations. We have produced structural models of CaO-Al2O3 glasses using combined density functional theory-reverse Monte Carlo simulations and obtained structures that reproduce experiments (X-ray and neutron diffraction, extended X-ray absorption fine structure) and result in cohesive energies close to the crystalline ground states. The O-Ca and O-Al coordination numbers are similar in the eutectic 64 mol % CaO (64CaO) glass [comparable to 12CaO·7Al2O3 (C12A7)], and the glass structure comprises a topologically disordered cage network with large-sized rings. This topologically disordered network is the signature of the high glass-forming ability of 64CaO glass and high viscosity in the melt. Analysis of the electronic structure reveals that the atomic charges for Al are comparable to those for Ca, and the bond strength of Al-O is stronger than that of Ca-O, indicating that oxygen is more weakly bound by cations in CaO-rich glass. The analysis shows that the lowest unoccupied molecular orbitals occurs in cavity sites, suggesting that the C12A7 electride glass [Kim SW, Shimoyama T, Hosono H (2011) Science 333(6038):71-74] synthesized from a strongly reduced high-temperature melt can host solvated electrons and bipolarons. Calculations of 64CaO glass structures with few subtracted oxygen atoms (additional electrons) confirm this observation. The comparable atomic charges and coordination of the cations promote more efficient elemental mixing, and this is the origin of the extended cage structure and hosted solvated (trapped) electrons in the C12A7 glass.

Integrated NDE and FEM characterization of composite rotors

NASA Astrophysics Data System (ADS)

Abdul-Aziz, Ali; Baaklini, George Y.; Trudell, Jeffrey J.

2001-08-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 48 000 rpm for rotor A and 34 000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

An Integrated NDE and FEM Characterization of Composite Rotors

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George Y.; Trudell, Jeffrey J.

2000-01-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 49 000 rpm for rotor A and 34 000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

Stochastic flux analysis of chemical reaction networks

PubMed Central

2013-01-01

Background Chemical reaction networks provide an abstraction scheme for a broad range of models in biology and ecology. The two common means for simulating these networks are the deterministic and the stochastic approaches. The traditional deterministic approach, based on differential equations, enjoys a rich set of analysis techniques, including a treatment of reaction fluxes. However, the discrete stochastic simulations, which provide advantages in some cases, lack a quantitative treatment of network fluxes. Results We describe a method for flux analysis of chemical reaction networks, where flux is given by the flow of species between reactions in stochastic simulations of the network. Extending discrete event simulation algorithms, our method constructs several data structures, and thereby reveals a variety of statistics about resource creation and consumption during the simulation. We use these structures to quantify the causal interdependence and relative importance of the reactions at arbitrary time intervals with respect to the network fluxes. This allows us to construct reduced networks that have the same flux-behavior, and compare these networks, also with respect to their time series. We demonstrate our approach on an extended example based on a published ODE model of the same network, that is, Rho GTP-binding proteins, and on other models from biology and ecology. Conclusions We provide a fully stochastic treatment of flux analysis. As in deterministic analysis, our method delivers the network behavior in terms of species transformations. Moreover, our stochastic analysis can be applied, not only at steady state, but at arbitrary time intervals, and used to identify the flow of specific species between specific reactions. Our cases study of Rho GTP-binding proteins reveals the role played by the cyclic reverse fluxes in tuning the behavior of this network. PMID:24314153

Stochastic flux analysis of chemical reaction networks.

PubMed

Kahramanoğulları, Ozan; Lynch, James F

2013-12-07

Chemical reaction networks provide an abstraction scheme for a broad range of models in biology and ecology. The two common means for simulating these networks are the deterministic and the stochastic approaches. The traditional deterministic approach, based on differential equations, enjoys a rich set of analysis techniques, including a treatment of reaction fluxes. However, the discrete stochastic simulations, which provide advantages in some cases, lack a quantitative treatment of network fluxes. We describe a method for flux analysis of chemical reaction networks, where flux is given by the flow of species between reactions in stochastic simulations of the network. Extending discrete event simulation algorithms, our method constructs several data structures, and thereby reveals a variety of statistics about resource creation and consumption during the simulation. We use these structures to quantify the causal interdependence and relative importance of the reactions at arbitrary time intervals with respect to the network fluxes. This allows us to construct reduced networks that have the same flux-behavior, and compare these networks, also with respect to their time series. We demonstrate our approach on an extended example based on a published ODE model of the same network, that is, Rho GTP-binding proteins, and on other models from biology and ecology. We provide a fully stochastic treatment of flux analysis. As in deterministic analysis, our method delivers the network behavior in terms of species transformations. Moreover, our stochastic analysis can be applied, not only at steady state, but at arbitrary time intervals, and used to identify the flow of specific species between specific reactions. Our cases study of Rho GTP-binding proteins reveals the role played by the cyclic reverse fluxes in tuning the behavior of this network.

Extended-hours hemodialysis is associated with lower mortality risk in patients with end-stage renal disease.

PubMed

Rivara, Matthew B; Adams, Scott V; Kuttykrishnan, Sooraj; Kalantar-Zadeh, Kamyar; Arah, Onyebuchi A; Cheung, Alfred K; Katz, Ronit; Molnar, Miklos Z; Ravel, Vanessa; Soohoo, Melissa; Streja, Elani; Himmelfarb, Jonathan; Mehrotra, Rajnish

2016-12-01

Extended-hours hemodialysis offers substantially longer treatment time compared to conventional hemodialysis schedules and is associated with improved fluid and electrolyte control and favorable cardiac remodeling. However, whether extended-hours hemodialysis improves survival remains unclear. Therefore, we determined the association between extended-hours compared to conventional hemodialysis and the risk of all-cause mortality in a nationally representative cohort of patients initiating maintenance dialysis in the United States from 2007 to 2011. Survival analyses using causal inference modeling with marginal structural models were performed to compare mortality risk among 1206 individuals undergoing thrice weekly extended-hours hemodialysis or 111,707 patients receiving conventional hemodialysis treatments. The average treatment time per session for extended-hours hemodialysis was 399 minutes compared to 211 minutes for conventional therapy. The crude mortality rate with extended-hours hemodialysis was 6.4 deaths per 100 patient-years compared with 14.7 deaths per 100 patient-years for conventional hemodialysis. In the primary analysis, patients treated with extended-hours hemodialysis had a 33% lower adjusted risk of death compared to those who were treated with a conventional regimen (95% confidence interval: 7% to 51%). Additional analyses accounting for analytical assumptions regarding exposure and outcome, facility-level confounders, and prior modality history were similar. Thus, in this large nationally representative cohort, treatment with extended-hours hemodialysis was associated with a lower risk for mortality compared to treatment with conventional in-center therapy. Adequately powered randomized clinical trials comparing extended-hours to conventional hemodialysis are required to confirm these findings. Copyright © 2016 International Society of Nephrology. Published by Elsevier Inc. All rights reserved.

Development of pair distribution function analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vondreele, R.; Billinge, S.; Kwei, G.

1996-09-01

This is the final report of a 3-year LDRD project at LANL. It has become more and more evident that structural coherence in the CuO{sub 2} planes of high-{Tc} superconducting materials over some intermediate length scale (nm range) is important to superconductivity. In recent years, the pair distribution function (PDF) analysis of powder diffraction data has been developed for extracting structural information on these length scales. This project sought to expand and develop this technique, use it to analyze neutron powder diffraction data, and apply it to problems. In particular, interest is in the area of high-{Tc} superconductors, although wemore » planned to extend the study to the closely related perovskite ferroelectric materials andother materials where the local structure affects the properties where detailed knowledge of the local and intermediate range structure is important. In addition, we planned to carry out single crystal experiments to look for diffuse scattering. This information augments the information from the PDF.« less

Taking advantage of local structure descriptors to analyze interresidue contacts in protein structures and protein complexes.

PubMed

Martin, Juliette; Regad, Leslie; Etchebest, Catherine; Camproux, Anne-Claude

2008-11-15

Interresidue protein contacts in proteins structures and at protein-protein interface are classically described by the amino acid types of interacting residues and the local structural context of the contact, if any, is described using secondary structures. In this study, we present an alternate analysis of interresidue contact using local structures defined by the structural alphabet introduced by Camproux et al. This structural alphabet allows to describe a 3D structure as a sequence of prototype fragments called structural letters, of 27 different types. Each residue can then be assigned to a particular local structure, even in loop regions. The analysis of interresidue contacts within protein structures defined using Voronoï tessellations reveals that pairwise contact specificity is greater in terms of structural letters than amino acids. Using a simple heuristic based on specificity score comparison, we find that 74% of the long-range contacts within protein structures are better described using structural letters than amino acid types. The investigation is extended to a set of protein-protein complexes, showing that the similar global rules apply as for intraprotein contacts, with 64% of the interprotein contacts best described by local structures. We then present an evaluation of pairing functions integrating structural letters to decoy scoring and show that some complexes could benefit from the use of structural letter-based pairing functions.

A generalized analysis of hydrophobic and loop clusters within globular protein sequences

PubMed Central

Eudes, Richard; Le Tuan, Khanh; Delettré, Jean; Mornon, Jean-Paul; Callebaut, Isabelle

2007-01-01

Background Hydrophobic Cluster Analysis (HCA) is an efficient way to compare highly divergent sequences through the implicit secondary structure information directly derived from hydrophobic clusters. However, its efficiency and application are currently limited by the need of user expertise. In order to help the analysis of HCA plots, we report here the structural preferences of hydrophobic cluster species, which are frequently encountered in globular domains of proteins. These species are characterized only by their hydrophobic/non-hydrophobic dichotomy. This analysis has been extended to loop-forming clusters, using an appropriate loop alphabet. Results The structural behavior of hydrophobic cluster species, which are typical of protein globular domains, was investigated within banks of experimental structures, considered at different levels of sequence redundancy. The 294 more frequent hydrophobic cluster species were analyzed with regard to their association with the different secondary structures (frequencies of association with secondary structures and secondary structure propensities). Hydrophobic cluster species are predominantly associated with regular secondary structures, and a large part (60 %) reveals preferences for α-helices or β-strands. Moreover, the analysis of the hydrophobic cluster amino acid composition generally allows for finer prediction of the regular secondary structure associated with the considered cluster within a cluster species. We also investigated the behavior of loop forming clusters, using a "PGDNS" alphabet. These loop clusters do not overlap with hydrophobic clusters and are highly associated with coils. Finally, the structural information contained in the hydrophobic structural words, as deduced from experimental structures, was compared to the PSI-PRED predictions, revealing that β-strands and especially α-helices are generally over-predicted within the limits of typical β and α hydrophobic clusters. Conclusion The dictionary of hydrophobic clusters described here can help the HCA user to interpret and compare the HCA plots of globular protein sequences, as well as provides an original fundamental insight into the structural bricks of protein folds. Moreover, the novel loop cluster analysis brings additional information for secondary structure prediction on the whole sequence through a generalized cluster analysis (GCA), and not only on regular secondary structures. Such information lays the foundations for developing a new and original tool for secondary structure prediction. PMID:17210072

Convective and stratiform components of a Winter Monsoon Cloud Cluster determined from geosynchronous infrared satellite data

NASA Technical Reports Server (NTRS)

Goldenberg, Stanley B.; Houze, Robert A., Jr.; Churchill, Dean D.

1990-01-01

The horizontal precipitation structure of cloud clusters observed over the South China Sea during the Winter Monsoon Experiment (WMONEX) is analyzed using a convective-stratiform technique (CST) developed by Adler and Negri (1988). The technique was modified by altering the method for identifying convective cells in the satellite data, accounting for the extremely cold cloud tops characteristic of the WMONEX region, and modifying the threshold infrared temperature for the boundary of the stratiform rain area. The precipitation analysis was extended to the entire history of the cloud cluster by applying the modified CST to IR imagery from geosynchronous-satellite observations. The ship and aircraft data from the later period of the cluster's lifetime make it possible to check the locations of convective and stratiform precipitation identified by the CST using in situ observations. The extended CST is considered to be effective for determining the climatology of the convective-stratiform structure of tropical cloud clusters.

An EHR Prototype Using Structured ISO/EN 13606 Documents to Respond to Identified Clinical Information Needs of Diabetes Specialists: A Controlled Study on Feasibility and Impact

PubMed Central

Huebner-Bloder, Gudrun; Duftschmid, Georg; Kohler, Michael; Rinner, Christoph; Saboor, Samrend; Ammenwerth, Elske

2012-01-01

Cross-institutional longitudinal Electronic Health Records (EHR), as introduced in Austria at the moment, increase the challenge of information overload of healthcare professionals. We developed an innovative cross-institutional EHR query prototype that offers extended query options, including searching for specific information items or sets of information items. The available query options were derived from a systematic analysis of information needs of diabetes specialists during patient encounters. The prototype operates in an IHE-XDS-based environment where ISO/EN 13606-structured documents are available. We conducted a controlled study with seven diabetes specialists to assess the feasibility and impact of this EHR query prototype on efficient retrieving of patient information to answer typical clinical questions. The controlled study showed that the specialists were quicker and more successful (measured in percentage of expected information items found) in finding patient information compared to the standard full-document search options. The participants also appreciated the extended query options. PMID:23304308

The initial rise method extended to multiple trapping levels in thermoluminescent materials.

PubMed

Furetta, C; Guzmán, S; Ruiz, B; Cruz-Zaragoza, E

2011-02-01

The well known Initial Rise Method (IR) is commonly used to determine the activation energy when only one glow peak is presented and analysed in the phosphor materials. However, when the glow peak is more complex, a wide peak and some holders appear in the structure. The application of the Initial Rise Method is not valid because multiple trapping levels are considered and then the thermoluminescent analysis becomes difficult to perform. This paper shows the case of a complex glow curve structure as an example and shows that the calculation is also possible using the IR method. The aim of the paper is to extend the well known Initial Rise Method (IR) to the case of multiple trapping levels. The IR method is applied to minerals extracted from Nopal cactus and Oregano spices because the thermoluminescent glow curve's shape suggests a trap distribution instead of a single trapping level. Copyright © 2010 Elsevier Ltd. All rights reserved.

Arene-Inserted Extended Germa[n]pericyclynes: Synthesis, Structure, and Phosphorescence Properties.

PubMed

Tanimoto, Hiroki; Mori, Junta; Ito, Shunichiro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Tanaka, Kazuo; Chujo, Yoshiki; Kakiuchi, Kiyomi

2017-07-26

This report describes the synthesis and characterization of arene-inserted extended (ArEx) germa[n]pericyclynes composed of germanium and 1,4-diethynylbenzene units. These novel cyclic germanium-π unit materials were synthesized with diethynylbenzene and germanium dichloride. X-ray crystallographic analysis revealed their structures, and the planar conformation of ArEx germa[4]pericyclyne along with the regular aromatic rings. UV/Vis absorption spectra and fluorescence emission spectra showed considerably unique and highly improved character compared to previously reported germa[n]pericyclynes. Even in the absence of transition metal components, phosphorescence emissions were observed, and the emission lifetimes were dramatically improved. ArEx germa[n]pericyclynes showed high photoluminescence quantum yields, whereas low photoluminescence quantum yields were observed for acyclic compounds. Density functional theory calculations show delocalized orbitals between skipped alkyne units through a germanium tether, and an increase in the HOMO energy level, leading to a small HOMO-LUMO energy gap. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Toward extending terrestrial laser scanning applications in forestry: a case study of broad- and needle-leaf tree classification

NASA Astrophysics Data System (ADS)

Lin, Yi; Jiang, Miao

2017-01-01

Tree species information is essential for forest research and management purposes, which in turn require approaches for accurate and precise classification of tree species. One such remote sensing technology, terrestrial laser scanning (TLS), has proved to be capable of characterizing detailed tree structures, such as tree stem geometry. Can TLS further differentiate between broad- and needle-leaves? If the answer is positive, TLS data can be used for classification of taxonomic tree groups by directly examining their differences in leaf morphology. An analysis was proposed to assess TLS-represented broad- and needle-leaf structures, followed by a Bayes classifier to perform the classification. Tests indicated that the proposed method can basically implement the task, with an overall accuracy of 77.78%. This study indicates a way of implementing the classification of the two major broad- and needle-leaf taxonomies measured by TLS in accordance to their literal definitions, and manifests the potential of extending TLS applications in forestry.

Connecting Core Percolation and Controllability of Complex Networks

PubMed Central

Jia, Tao; Pósfai, Márton

2014-01-01

Core percolation is a fundamental structural transition in complex networks related to a wide range of important problems. Recent advances have provided us an analytical framework of core percolation in uncorrelated random networks with arbitrary degree distributions. Here we apply the tools in analysis of network controllability. We confirm analytically that the emergence of the bifurcation in control coincides with the formation of the core and the structure of the core determines the control mode of the network. We also derive the analytical expression related to the controllability robustness by extending the deduction in core percolation. These findings help us better understand the interesting interplay between the structural and dynamical properties of complex networks. PMID:24946797

Using NASTRAN to solve symmetric structures with nonsymmetric loads

NASA Technical Reports Server (NTRS)

Butler, T. G.

1982-01-01

A method for computation of reflective dihedral symmetry in symmetrical structures under nonsymmetric loads is described. The method makes it possible to confine the analysis to a half, a quarter, or an octagonal segment. The symmetry of elastic deformation is discussed, and antisymmetrical deformation is distinguished from nonsymmetrical deformation. Modes of deformation considered are axial, bending, membrane, and torsional deformation. Examples of one and two dimensional elements are presented and extended to three dimensional elements. The method of setting up a problem within NASTRAN is discussed. The technique is applied to a thick structure having quarter symmetry which was modeled with polyhedra and subjected to five distinct loads having varying degrees of symmetry.

Friction transition in polyimide films as related to molecular relaxations and structure

NASA Technical Reports Server (NTRS)

Fusaro, R. L.

1975-01-01

The friction characteristics of polyimide films bonded to metallic substrates were studied from 25 to 500 C. These results were correlated to molecular structure and the results of torsional braid analysis (TBA). A large friction transition (0.23 to 0.03) was found to occur at 45 C + or - 5 C. It was postulated that this transition was initiated by some molecular relaxation, which gave the molecules a degree of freedom by which an external mechanical stress could rearrange the molecules into a structure, such as an extended chain, which is conducive to easy shear. Above 300 C the friction characteristics were found to be dependent on the thermal prehistory of the film.

The role of organizational structure in readiness for change: A conceptual integration.

PubMed

Benzer, Justin K; Charns, Martin P; Hamdan, Sami; Afable, Melissa

2017-02-01

The purpose of this review is to extend extant conceptualizations of readiness for change as an individual-level phenomenon. This review-of-reviews focuses on existing conceptual frameworks from the dissemination, implementation, quality improvement, and organizational transformation literatures in order to integrate theoretical rationales for how organization structure, a key dimension of the organizational context, may impact readiness for change. We propose that the organization structure dimensions of differentiation and integration impact readiness for change at the individual level of analysis by influencing four key concepts of relevance, legitimacy, perceived need for change, and resource allocation. We identify future research directions that focus on these four key concepts.

DBR, Sub-wavelength grating, and Photonic crystal slab Fabry-Perot cavity design using phase analysis by FDTD.

PubMed

Kim, Jae Hwan Eric; Chrostowski, Lukas; Bisaillon, Eric; Plant, David V

2007-08-06

We demonstrate a Finite-Difference Time-Domain (FDTD) phase methodology to estimate resonant wavelengths in Fabry-Perot (FP) cavity structures. We validate the phase method in a conventional Vertical-Cavity Surface-Emitting Laser (VCSEL) structure using a transfer-matrix method, and compare results with a FDTD reflectance method. We extend this approach to a Sub-Wavelength Grating (SWG) and a Photonic Crystal (Phc) slab, either of which may replace one of the Distributed Bragg Reflectors (DBRs) in the VCSEL, and predict resonant conditions with varying lithographic parameters. Finally, we compare the resonant tunabilities of three different VCSEL structures, taking quality factors into account.

Electronic and atomic structures of Ti{sub 1-x}Al{sub x}N thin films related to their damage behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tuilier, M.-H.; Pac, M.-J.; Girleanu, M.

2008-04-15

Ti and Al K-edge x-ray absorption spectroscopy is used to investigate the electronic structure of Ti{sub 1-x}Al{sub x}N thin films deposited by reactive magnetron sputtering. The experimental near edge spectra of TiN and AlN are interpreted in the light of unoccupied density of state band structure calculations. The comparison of the structural parameters derived from x-ray absorption fine structure and x-ray diffraction reveals segregation between Al-rich and Ti-rich domains within the Ti{sub 1-x}Al{sub x}N films. Whereas x-ray diffraction probes only the crystallized domains, the structural information derived from extended x-ray absorption fine structure analysis turns on both crystalline and grainmore » boundaries. The results are discussed by considering the damage behavior of the films depending on the composition.« less

Controlling the intermediate structure of an ionic liquid for f-block element separations

DOE PAGES

Abney, Carter W.; Do, Changwoo; Luo, Huimin; ...

2017-04-19

Recent research has revealed molecular structure beyond the inner coordination sphere is essential in defining the performance of separations processes, but nevertheless remains largely unexplored. Here we apply small angle neutron scattering (SANS) and x-ray absorption fine structure (XAFS) spectroscopy to investigate the structure of an ionic liquid system studied for f-block element separations. SANS data reveal dramatic changes in the ionic liquid microstructure (~150 Å) which we demonstrate can be controlled by judicious selection of counter ion. Mesoscale structural features (> 500 Å) are also observed as a function of metal concentration. XAFS analysis supports formation of extended aggregatemore » structures, similar to those observed in traditional solvent extraction processes, and suggest additional parallels may be drawn from further study. As a result, achieving precise tunability over the intermediate features is an important development in controlling mesoscale structure and realizing advanced new forms of soft matter.« less

Are Long-Range Structural Correlations Behind the Aggregration Phenomena of Polyglutamine Diseases?

PubMed Central

Moradi, Mahmoud; Babin, Volodymyr; Roland, Christopher; Sagui, Celeste

2012-01-01

We have characterized the conformational ensembles of polyglutamine peptides of various lengths (ranging from to ), both with and without the presence of a C-terminal polyproline hexapeptide. For this, we used state-of-the-art molecular dynamics simulations combined with a novel statistical analysis to characterize the various properties of the backbone dihedral angles and secondary structural motifs of the glutamine residues. For (i.e., just above the pathological length for Huntington's disease), the equilibrium conformations of the monomer consist primarily of disordered, compact structures with non-negligible -helical and turn content. We also observed a relatively small population of extended structures suitable for forming aggregates including - and -strands, and - and -hairpins. Most importantly, for we find that there exists a long-range correlation (ranging for at least residues) among the backbone dihedral angles of the Q residues. For polyglutamine peptides below the pathological length, the population of the extended strands and hairpins is considerably smaller, and the correlations are short-range (at most residues apart). Adding a C-terminal hexaproline to suppresses both the population of these rare motifs and the long-range correlation of the dihedral angles. We argue that the long-range correlation of the polyglutamine homopeptide, along with the presence of these rare motifs, could be responsible for its aggregation phenomena. PMID:22577357

Preparation of sandwich-structured graphene/mesoporous silica composites with C8-modified pore wall for highly efficient selective enrichment of endogenous peptides for mass spectrometry analysis.

PubMed

Yin, Peng; Wang, Yuhua; Li, Yan; Deng, Chunhui; Zhang, Xiangmin; Yang, Pengyuan

2012-09-01

In this study, sandwich-structured graphene/mesoporous silica composites (C8-modified graphene@mSiO(2)) were synthesized by coating mesoporous silica onto hydrophilic graphene nanosheets through a surfactant-mediated cocondensation sol-gel process. The newly prepared C8-modified graphene@mSiO(2) nanocomposites possess unique properties of extended plate-like morphology, good water dispersibility, highly open pore structure, uniform pore size (2.8 nm), high surface area (632 m(2)/g), and C8-modified-interior pore walls. The unique structure of the C8-modified graphene@mSiO(2) composite nanosheets not only provide extended planes with hydrophilic surface that prevents aggregation in solution, but also offer a huge number of C8-modified mesopores with high surface area that can ensure an efficient adsorption of peptides through hydrophobic-hydrophobic interaction between C8-moified pore walls and target molecules. The obtained C8-modified graphene@mSiO(2) materials were utilized for size selectively and specifically enriching peptides in standard peptide mixtures and endogenous peptides in real biological samples (mouse brain tissue). © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

AACSD: An atomistic analyzer for crystal structure and defects

NASA Astrophysics Data System (ADS)

Liu, Z. R.; Zhang, R. F.

2018-01-01

We have developed an efficient command-line program named AACSD (Atomistic Analyzer for Crystal Structure and Defects) for the post-analysis of atomic configurations generated by various atomistic simulation codes. The program has implemented not only the traditional filter methods like the excess potential energy (EPE), the centrosymmetry parameter (CSP), the common neighbor analysis (CNA), the common neighborhood parameter (CNP), the bond angle analysis (BAA), and the neighbor distance analysis (NDA), but also the newly developed ones including the modified centrosymmetry parameter (m-CSP), the orientation imaging map (OIM) and the local crystallographic orientation (LCO). The newly proposed OIM and LCO methods have been extended for all three crystal structures including face centered cubic, body centered cubic and hexagonal close packed. More specially, AACSD can be easily used for the atomistic analysis of metallic nanocomposite with each phase to be analyzed independently, which provides a unique pathway to capture their dynamic evolution of various defects on the fly. In this paper, we provide not only a throughout overview on various theoretical methods and their implementation into AACSD program, but some critical evaluations, specific testing and applications, demonstrating the capability of the program on each functionality.

Application of a data-mining method based on Bayesian networks to lesion-deficit analysis

NASA Technical Reports Server (NTRS)

Herskovits, Edward H.; Gerring, Joan P.

2003-01-01

Although lesion-deficit analysis (LDA) has provided extensive information about structure-function associations in the human brain, LDA has suffered from the difficulties inherent to the analysis of spatial data, i.e., there are many more variables than subjects, and data may be difficult to model using standard distributions, such as the normal distribution. We herein describe a Bayesian method for LDA; this method is based on data-mining techniques that employ Bayesian networks to represent structure-function associations. These methods are computationally tractable, and can represent complex, nonlinear structure-function associations. When applied to the evaluation of data obtained from a study of the psychiatric sequelae of traumatic brain injury in children, this method generates a Bayesian network that demonstrates complex, nonlinear associations among lesions in the left caudate, right globus pallidus, right side of the corpus callosum, right caudate, and left thalamus, and subsequent development of attention-deficit hyperactivity disorder, confirming and extending our previous statistical analysis of these data. Furthermore, analysis of simulated data indicates that methods based on Bayesian networks may be more sensitive and specific for detecting associations among categorical variables than methods based on chi-square and Fisher exact statistics.

An immersed-shell method for modelling fluid–structure interactions

PubMed Central

Viré, A.; Xiang, J.; Pain, C. C.

2015-01-01

The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857

Development of a composite geodetic structure for space construction, phase 2

NASA Technical Reports Server (NTRS)

1981-01-01

Primary physical and mechanical properties were defined for pultruded hybrid HMS/E-glass P1700 rod material used for the fabrication of geodetic beams. Key properties established were used in the analysis, design, fabrication, instrumentation, and testing of a geodetic parameter cylinder and a lattice cone closeout joined to a short cylindrical geodetic beam segment. Requirements of structural techniques were accomplished. Analytical procedures were refined and extended to include the effect of rod dimensions for the helical and longitudinal members on local buckling, and the effect of different flexural and extensional moduli on general instability buckling.

Synthesis and the crystal and molecular structure of the germanium(IV) complex with propylene-1,3-diaminetetraacetic acid [Ge(Pdta)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sergienko, V. S., E-mail: sergienko@igic.ras.ru; Martsinko, E. E.; Seifullina, I. I.

2015-09-15

The germanium(IV) complex with propylene-1,3-diaminetetraacetic acid (H{sub 4}Pdta) is studied by elemental analysis, X-ray diffraction, thermogravimetry, and IR spectroscopy. The X-ray diffraction study reveals two crystallographically independent [Ge(Pdta)] molecules of similar structure. Both Ge atoms are octahedrally coordinated by four O atoms and two N atoms (at the cis positions) of the hexadentate pentachelate Pdta{sup 4–} ligand. An extended system of weak C—H···O hydrogen bonds connects complex molecules into a supramolecular 3D framework.

Synthesis and the crystal and molecular structure of the germanium(IV) complex with propylene-1,3-diaminetetraacetic acid [Ge( Pdta)

NASA Astrophysics Data System (ADS)

Sergienko, V. S.; Martsinko, E. E.; Seifullina, I. I.; Churakov, A. V.; Chebanenko, E. A.

2015-09-01

The germanium(IV) complex with propylene-1,3-diaminetetraacetic acid (H4 Pdta) is studied by elemental analysis, X-ray diffraction, thermogravimetry, and IR spectroscopy. The X-ray diffraction study reveals two crystallographically independent [Ge( Pdta)] molecules of similar structure. Both Ge atoms are octahedrally coordinated by four O atoms and two N atoms (at the cis positions) of the hexadentate pentachelate Pdta 4- ligand. An extended system of weak С—Н···О hydrogen bonds connects complex molecules into a supramolecular 3D framework.

Reply to Comment on Axial oxygen-centered lattice instabilities in YBa[sub 2]Cu[sub 3]O[sub 7]: An application of the analysis of extended x-ray-absorption fine structure in anharmonic systems' ''

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mustre de Leon, J.; Batistic, I.; Bishop, A.R.

1993-05-01

We assert that the one-site Cu(1)-O(4) model, suggested in the Comment by Thomsen and Cardona [Phys. Rev. B 47, 12 320 (1993)] is inconsistent with polarized x-ray-absorption fine-structure and diffraction results. We also show that the two-site Cu(1)-O(4) distribution is not inconsistent with optical measurements, although a rigid double-well modeling of this distribution is [Phys. Rev. Lett. 68, 3236 (1992)].

Analysis and characterization of structurally embedded vascular antennas using liquid metals

NASA Astrophysics Data System (ADS)

Hartl, Darren J.; Huff, Gregory H.; Pan, Hong; Smith, Lisa; Bradford, Robyn L.; Frank, Geoffrey J.; Baur, Jeffrey W.

2016-04-01

Over the past decade, a large body of research associated with the addition of microvascular networks to structural composites has been generated. The engineering goal is most often the extension of structural utility to include extended functionalities such as self-healing or improved thermal management and resilience. More recently, efforts to design reconfigurable embedded electronics via the incorporation of non-toxic liquid metals have been initiated. A wide range of planar antenna configurations are possible, and the trade-offs between structural effects, other system costs, and increased flexibility in transmitting and receiving frequencies are being explored via the structurally embedded vascular antenna (SEVA) concept. This work describes for the first time the design of a bowtie-like tunable liquid metal-based antenna for integration into a structural composite for electromagnetic use. The design of both the solid/fluid feed structure and fluid transmission lines are described and analysis results regarding the RF performance of the antenna are provided. Fabrication methods for the SEVA are explained in detail and as-fabricated components are described. Challenges associated with both fabrication and system implementation and testing are elucidated. Results from preliminary RF testing indicate that in situ response tuning is feasible in these novel multifunctional composites.

Structural analysis of a Petri net model of oxidative stress in atherosclerosis.

PubMed

Kozak, Adam; Formanowicz, Dorota; Formanowicz, Piotr

2018-06-01

Atherosclerosis is a complex process of gathering sub-endothelial plaques decreasing lumen of the blood vessels. This disorder affects people of all ages, but its progression is asymptomatic for many years. It is regulated by many typical and atypical factors including the immune system response, a chronic kidney disease, a diet rich in lipids, a local inflammatory process and a local oxidative stress that is here one of the key factors. In this study, a Petri net model of atherosclerosis regulation is presented. This model includes also some information about stoichiometric relationships between its components and covers all mentioned factors. For the model, a structural analysis based on invariants was made and biological conclusions are presented. Since the model contains inhibitor arcs, a heuristic method for analysis of such cases is presented. This method can be used to extend the concept of feasible t -invariants.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ozkendir, Osman Murat, E-mail: ozkendir@gmail.com

Highlights: • Crystal and electronic structure properties of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} structure were investigated. • New crystal structures for Nd–Ti complexes are determined. • Distortions in the crystal structure were observed as a result of Boron shortage. • Prominent change in electronic properties of the samples with the increasing Nd amount. - Abstract: Neodymium substituted TiBO{sub 3} samples were investigated according to their crystal, electric and electronic properties. Studies were conducted by X-ray absorption fine structure spectroscopy (XAFS) technique for the samples with different substitutions in the preparation processes. To achieve better crystal structure results during the study, XRDmore » pattern results were supported by extended-XAFS (EXAFS) analysis. The electronic structure analysis were studied by X-ray absorption near-edge structure spectroscopy (XANES) measurements at the room temperatures. Due to the substituted Nd atoms, prominent changes in crystal structure, new crystal geometries for Nd-Ti complexes, phase transitions in the crystals structure were detected according to the increasing Nd substitutions in the samples. In the entire stages of the substitutions, Nd atoms were observed as governing the whole phenomena due to their dominant characteristics in Ti geometries. Besides, electrical resistivity decay was determined in the materials with the increasing amount of Nd substitution.« less

Characterization of basin concrete in support of structural integrity demonstration for extended storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duncan, A.

Concrete core samples from C basin were characterized through material testing and analysis to verify the design inputs for structural analysis of the L Basin and to evaluate the type and extent of changes in the material condition of the concrete under extended service for fuel storage. To avoid the impact on operations, core samples were not collected from L area, but rather, several concrete core samples were taken from the C Basin prior to its closure. C basin was selected due to its similar environmental exposure and service history compared to L Basin. The microstructure and chemical composition ofmore » the concrete exposed to the water was profiled from the water surface into the wall to evaluate the impact and extent of exposure. No significant leaching of concrete components was observed. Ingress of carbonation or deleterious species was determined to be insignificant. No evidence of alkali-silica reactions (ASR) was observed. Ettringite was observed to form throughout the structure (in air voids or pores); however, the sulfur content was measured to be consistent with the initial concrete that was used to construct the facility. Similar ettringite trends were observed in the interior segments of the core samples. The compressive strength of the concrete at the mid-wall of the basin was measured, and similar microstructural analysis was conducted on these materials post compression testing. The microstructure was determined to be similar to near-surface segments of the core samples. The average strength was 4148 psi, which is well-above the design strength of 2500 psi. The analyses showed that phase alterations and minor cracking in a microstructure did not affect the design specification for the concrete.« less

Transcript analysis of the extended hyp-operon in the cyanobacteria Nostoc sp. strain PCC 7120 and Nostoc punctiforme ATCC 29133

PubMed Central

2011-01-01

Background Cyanobacteria harbor two [NiFe]-type hydrogenases consisting of a large and a small subunit, the Hup- and Hox-hydrogenase, respectively. Insertion of ligands and correct folding of nickel-iron hydrogenases require assistance of accessory maturation proteins (encoded by the hyp-genes). The intergenic region between the structural genes encoding the uptake hydrogenase (hupSL) and the accessory maturation proteins (hyp genes) in the cyanobacteria Nostoc PCC 7120 and N. punctiforme were analysed using molecular methods. Findings The five ORFs, located in between the uptake hydrogenase structural genes and the hyp-genes, can form a transcript with the hyp-genes. An identical genomic localization of these ORFs are found in other filamentous, N2-fixing cyanobacterial strains. In N. punctiforme and Nostoc PCC 7120 the ORFs upstream of the hyp-genes showed similar transcript level profiles as hupS (hydrogenase structural gene), nifD (nitrogenase structural gene), hypC and hypF (accessory hydrogenase maturation genes) after nitrogen depletion. In silico analyzes showed that these ORFs in N. punctiforme harbor the same conserved regions as their homologues in Nostoc PCC 7120 and that they, like their homologues in Nostoc PCC 7120, can be transcribed together with the hyp-genes forming a larger extended hyp-operon. DNA binding studies showed interactions of the transcriptional regulators CalA and CalB to the promoter regions of the extended hyp-operon in N. punctiforme and Nostoc PCC 7120. Conclusions The five ORFs upstream of the hyp-genes in several filamentous N2-fixing cyanobacteria have an identical genomic localization, in between the genes encoding the uptake hydrogenase and the maturation protein genes. In N. punctiforme and Nostoc PCC 7120 they are transcribed as one operon and may form transcripts together with the hyp-genes. The expression pattern of the five ORFs within the extended hyp-operon in both Nostoc punctiforme and Nostoc PCC 7120 is similar to the expression patterns of hupS, nifD, hypF and hypC. CalA, a known transcription factor, interacts with the promoter region between hupSL and the five ORFs in the extended hyp-operon in both Nostoc strains. PMID:21672234

Structural stability of rubble-pile asteroids

NASA Astrophysics Data System (ADS)

Sharma, Ishan

2013-03-01

Granular aggregates, like fluids, do not admit all manners of shapes and rotation rates. It is hoped that an analysis of a suspected granular asteroid’s equilibrium shape and its structural stability will help confirm its rubble-pile nature, and, perhaps, even constrain the asteroid’s material parameters. Equilibrium shapes have been analyzed in the past by several investigators (Holsapple, K.A. [2001]. Icarus 154, 432-448; Harris, A.W., Fahnestock, E.G., Pravec, P. [2009]. Icarus 199, 310-318; Sharma, I., Jenkins, J.T., Burns, J.A. [2009]. Icarus 200, 304-322). Here, we extend the classical Lagrange-Dirichlet stability theorem to the case of self-gravitating granular aggregates. This stability test is then applied to probe the stability of several near-Earth asteroids, and explore the influence of material parameters such as internal friction angle and plastic bulk modulus. Finally, we consider their structural stability to close planetary encounters. We find that it is possible for asteroids to be stable to small perturbations, but unstable to strong and/or extended perturbations as experienced during close flybys. Conversely, assuming stability in certain situations, it is possible to estimate material properties of some asteroids like, for example, 1943 Anteros.

Extended x-ray absorption fine structure study of phase transitions in the piezoelectric perovskite K0.5Na0.5NbO3

NASA Astrophysics Data System (ADS)

Kodre, A.; Tellier, J.; Arčon, I.; Malič, B.; Kosec, M.

2009-06-01

Following an x-ray diffraction study of phase transitions of the piezoelectric perovskite K0.5Na0.5NbO3 the structural changes of the material are studied using extended x-ray absorption fine structure analysis, whereby the neighborhood of Nb atom is determined in the temperature range of monoclinic, tetragonal, and cubic phases. Within the entire range Nb atom is displaced from the center of the octahedron of its immediate oxygen neighbors, as witnessed by the splitting of Nb-O distance. The model shows high prevalence of the displacement in the (111) crystallographic direction of the simple perovskite cell. The corresponding splitting of the Nb-Nb distance is negligible. There is no observable disalignment of the linear Nb-O-Nb bonds from the ideal cubic arrangement, judging from the intensity of the focusing of the photoelectron wave on the Nb-Nb scattering path by the interposed oxygen atom. As a general result, the phase transitions are found as an effect of the long-range order, while the placement of the atoms in the immediate vicinity remains largely unaffected.

Line Scanning Thermography for Rapid Nondestructive Inspection of Large Scale Composites

NASA Astrophysics Data System (ADS)

Chung, S.; Ley, O.; Godinez, V.; Bandos, B.

2011-06-01

As next generation structures are utilizing larger amounts of composite materials, a rigorous and reliable method is needed to inspect these structures in order to prevent catastrophic failure and extend service life. Current inspection methods, such as ultrasonic, generally require extended down time and man hours as they are typically carried out via point-by-point measurements. A novel Line Scanning Thermography (LST) System has been developed for the non-contact, large-scale field inspection of composite structures with faster scanning times than conventional thermography systems. LST is a patented dynamic thermography technique where the heat source and thermal camera move in tandem, which allows the continuous scan of long surfaces without the loss of resolution. The current system can inspect an area of 10 in2 per 1 second, and has a resolution of 0.05×0.03 in2. Advanced data gathering protocols have been implemented for near-real time damage visualization and post-analysis algorithms for damage interpretation. The system has been used to successfully detect defects (delamination, dry areas) in fiber-reinforced composite sandwich panels for Navy applications, as well as impact damage in composite missile cases and armor ceramic panels.

Postflight analysis for Delta Program Mission no. 113: COS-B Mission

NASA Technical Reports Server (NTRS)

1976-01-01

On 8 August 1975, the COS-B spacecraft was launched successfully from the Western Test Range (Delta Program Mission No. 113). The launch vehicle was a three stage Extended Long Tank Delta DSV-3P-11B vehicle. Postflight analyses performed in connection with flight are presented. Vehicle trajectory, stage performance, vehicle reliability and the propulsion, guidance, flight control, electronics, mechanical and structural systems are evaluated.

Confirmatory factor analysis of the Malay version comprehensive feeding practices questionnaire tested among mothers of primary school children in Malaysia.

PubMed

Shohaimi, Shamarina; Wei, Wong Yoke; Shariff, Zalilah Mohd

2014-01-01

Comprehensive feeding practices questionnaire (CFPQ) is an instrument specifically developed to evaluate parental feeding practices. It has been confirmed among children in America and applied to populations in France, Norway, and New Zealand. In order to extend the application of CFPQ, we conducted a factor structure validation of the translated version of CFPQ (CFPQ-M) using confirmatory factor analysis among mothers of primary school children (N = 397) in Malaysia. Several items were modified for cultural adaptation. Of 49 items, 39 items with loading factors >0.40 were retained in the final model. The confirmatory factor analysis revealed that the final model (twelve-factor model with 39 items and 2 error covariances) displayed the best fit for our sample (Chi-square = 1147; df = 634; P < 0.05; CFI = 0.900; RMSEA = 0.045; SRMR = 0.0058). The instrument with some modifications was confirmed among mothers of school children in Malaysia. The present study extends the usability of the CFPQ and enables researchers and parents to better understand the relationships between parental feeding practices and related problems such as childhood obesity.

Theoretical analysis for double-liquid variable focus lens

NASA Astrophysics Data System (ADS)

Peng, Runling; Chen, Jiabi; Zhuang, Songlin

2007-09-01

In this paper, various structures for double-liquid variable focus lens are introduced. And based on an energy minimization method, explicit calculations and detailed analyses upon an extended Young-type equation are given for double-liquid lenses with cylindrical electrode. Such an equation is especially applicable to liquid-liquid-solid tri-phase systems. It is a little different from the traditional Young equation that was derived according to vapor-liquid-solid triphase systems. The electrowetting effect caused by an external voltage changes the interface shape between two liquids as well as the focal length of the lens. Based on the extended Young-type equation, the relationship between the focal length and the external voltage can also be derived. Corresponding equations and simulation results are presented.

Wavelet-based techniques for the gamma-ray sky

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDermott, Samuel D.; Fox, Patrick J.; Cholis, Ilias

2016-07-01

Here, we demonstrate how the image analysis technique of wavelet decomposition can be applied to the gamma-ray sky to separate emission on different angular scales. New structures on scales that differ from the scales of the conventional astrophysical foreground and background uncertainties can be robustly extracted, allowing a model-independent characterization with no presumption of exact signal morphology. As a test case, we generate mock gamma-ray data to demonstrate our ability to extract extended signals without assuming a fixed spatial template. For some point source luminosity functions, our technique also allows us to differentiate a diffuse signal in gamma-rays from darkmore » matter annihilation and extended gamma-ray point source populations in a data-driven way.« less

Biology doesn't waste energy: that's really smart

NASA Astrophysics Data System (ADS)

Vincent, Julian F. V.; Bogatyreva, Olga; Bogatyrev, Nikolaj

2006-03-01

Biology presents us with answers to design problems that we suspect would be very useful if only we could implement them successfully. We use the Russian theory of problem solving - TRIZ - in a novel way to provide a system for analysis and technology transfer. The analysis shows that whereas technology uses energy as the main means of solving technical problems, biology uses information and structure. Biology is also strongly hierarchical. The suggestion is that smart technology in hierarchical structures can help us to design much more efficient technology. TRIZ also suggests that biological design is autonomous and can be defined by the prefix "self-" with any function. This autonomy extends to the control system, so that the sensor is commonly also the actuator, resulting in simpler systems and greater reliability.

Observational Analysis of Coronal Fans

NASA Technical Reports Server (NTRS)

Talpeanu, D.-C.; Rachmeler, L; Mierla, Marilena

2017-01-01

Coronal fans (see Figure 1) are bright observational structures that extend to large distances above the solar surface and can easily be seen in EUV (174 angstrom) above the limb. They have a very long lifetime and can live up to several Carrington rotations (CR), remaining relatively stationary for many months. Note that they are not off-limb manifestation of similarly-named active region fans. The solar conditions required to create coronal fans are not well understood. The goal of this research was to find as many associations as possible of coronal fans with other solar features and to gain a better understanding of these structures. Therefore, we analyzed many fans and created an overview of their properties. We present the results of this statistical analysis and also a case study on the longest living fan.

Report on IVS-WG4

NASA Astrophysics Data System (ADS)

Gipson, John

2011-07-01

I describe the proposed data structure for storing, archiving and processing VLBI data. In this scheme, most VLBI data is stored in NetCDF files. NetCDF has the advantage that there are interfaces to most common computer languages including Fortran, Fortran-90, C, C++, Perl, etc, and the most common operating systems including linux, Windows and Mac. The data files for a particular session are organized by special ASCII "wrapper" files which contain pointers to the data files. This allows great flexibility in the processing and analysis of VLBI data, and also allows for extending the types of data used, e.g., source maps. I discuss the use of the new format in calc/solve and other VLBI analysis packages. I also discuss plans for transitioning to the new structure.

X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westre, Tami E.

Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s→3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been appliedmore » to the study of non-heme iron enzyme active sites.« less

Study of structure-function relationships in proteins: Techniques and applications ot cytochrome c: Final report January 15, 1988--January 14, 1989

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldstein, D.A.; Rackovsky, S.R.

1989-08-01

During the initial period of this work we explored the differential geometry results which had been used to explain the structure-function relationships in the set of yeast iso-1-cytochrome c mutants studied under the initial contract. In addition we continued the development of techniques which would permit the structural characterization and comparison of proteins in a very efficient manner. We have expanded the studies based on the characterization of the structural preferences of various residues in a sample of twenty six globular proteins. It has been demonstrated that the overall structural preferences and the amino acid specific preferences seen in themore » analysis carried out at the five alpha carbon level can not be explained by the results of the analysis carried out at the four alpha carbon level. Thus the structural preferences seen must be described by considering groups of five or more residues. We do no yet have enough data to extend the analysis to the six alpha carbon unit level. We have also verified that the yeast/tuna structural analogy which we used before was justified, and have performed a conformational energy minimization of the reduced yeast cytochrome c crystal data in order to have a baseline for the study of mutant proteins. 6 refs.« less

Multifractal analysis of white matter structural changes on 3D magnetic resonance imaging between normal aging and early Alzheimer’s disease

NASA Astrophysics Data System (ADS)

Ni, Huang-Jing; Zhou, Lu-Ping; Zeng, Peng; Huang, Xiao-Lin; Liu, Hong-Xing; Ning, Xin-Bao

2015-07-01

Applications of multifractal analysis to white matter structure changes on magnetic resonance imaging (MRI) have recently received increasing attentions. Although some progresses have been made, there is no evident study on applying multifractal analysis to evaluate the white matter structural changes on MRI for Alzheimer’s disease (AD) research. In this paper, to explore multifractal analysis of white matter structural changes on 3D MRI volumes between normal aging and early AD, we not only extend the traditional box-counting multifractal analysis (BCMA) into the 3D case, but also propose a modified integer ratio based BCMA (IRBCMA) algorithm to compensate for the rigid division rule in BCMA. We verify multifractal characteristics in 3D white matter MRI volumes. In addition to the previously well studied multifractal feature, Δα, we also demonstrated Δf as an alternative and effective multifractal feature to distinguish NC from AD subjects. Both Δα and Δf are found to have strong positive correlation with the clinical MMSE scores with statistical significance. Moreover, the proposed IRBCMA can be an alternative and more accurate algorithm for 3D volume analysis. Our findings highlight the potential usefulness of multifractal analysis, which may contribute to clarify some aspects of the etiology of AD through detection of structural changes in white matter. Project supported by the National Natural Science Foundation of China (Grant No. 61271079), the Vice Chancellor Research Grant in University of Wollongong, and the Priority Academic Program Development of Jiangsu Higher Education Institutions, China.

Vibration and aeroelastic analysis of highly flexible HALE aircraft

NASA Astrophysics Data System (ADS)

Chang, Chong-Seok

The highly flexible HALE (High Altitude Long Endurance) aircraft analysis methodology is of interest because early studies indicated that HALE aircraft might have different vibration and aeroelastic characteristics from those of conventional aircraft. Recently the computer code Nonlinear Aeroelastic Trim And Stability of HALE Aircraft (NATASHA) was developed under NASA sponsorship. NATASHA can predict the flight dynamics and aeroelastic behavior for HALE aircraft with a flying wing configuration. Further analysis improvements for NATASHA were required to extend its capability to the ground vibration test (GVT) environment and to both GVT and aeroelastic behavior of HALE aircraft with other configurations. First, the analysis methodology, based on geometrically exact fully intrinsic beam theory, was extended to treat other aircraft cofigurations. Conventional aircraft with flexible fuselage and tail can now be modeled by treating the aircraft as an assembly of beam elements. NATASHA is now applicable to any aircraft cofiguration that can be modeled this way. The intrinsic beam formulation, which is a fundamental structural modeling approach, is now capable of being applying to a structure consisting of multiple beams by relating the virtual displacements and rotations at points where two or more beam elements are connected to each other. Additional aspects are also considered in the analysis such as auxiliary elevator input in the horizontal tail and fuselage aerodynamics. Second, the modeling approach was extended to treat the GVT environment for HALE aircraft, which have highly flexible wings. GVT has its main purpose to provide modal characteristics for model validation. A bungee formulation was developed by the augmented Lagrangian method and coupled to the intrinsic beam formulation for the GVT modeling. After the coupling procedure, the whole formulation cannot be fully intrinsic because the geometric constraint by bungee cords makes the system statically indeterminate. Displacement and rotation variables need to be introduced, but only at points to which bungee cords are attached. Third, because many HALE aircraft are propeller driven, the structural modeling was extended to include an engine/nacelle/propeller system using a two-degree-of-freedom model with pitch and yaw angles. This step was undertaken to predict a dynamic instability called "whirl flutter," which can be exhibited in such HALE aircraft. It can investigate how the nacelle whirling and wing motions affect each other. For simplicity, two fundamental assumptions are made regarding the propeller aerodynamics and inertia matrix of two-bladed propeller system. The propeller airloads are evaluated by the constant approximation which uses the averaged values for one revolution per blade. Periodic side forces and hub moments are evaluated based on how they affect the trim condition determined by the constant approximation. The next assumption is for certain HALE aircraft which can use a two-bladed propeller system. The inertia matrix appears as periodic in time in the governing equations. If the periodic inertia effect is negligible, then the inertia matrix can be replaced by that of equivalent three-bladed propeller system so that the stability analysis can obviate the need for Floquet theory. These new development have been fully integrated into the current version of NATASHA. Finally, a parametric study for representative HALE aircraft is presented to show how the current methodology can be utilized as a unified preliminary analysis tool for the vibration and aeroelastic analysis of highly flexible HALE aircraft.

Buckling analysis of SMA bonded sandwich structure – using FEM

NASA Astrophysics Data System (ADS)

Katariya, Pankaj V.; Das, Arijit; Panda, Subrata K.

2018-03-01

Thermal buckling strength of smart sandwich composite structure (bonded with shape memory alloy; SMA) examined numerically via a higher-order finite element model in association with marching technique. The excess geometrical distortion of the structure under the elevated environment modeled through Green’s strain function whereas the material nonlinearity counted with the help of marching method. The system responses are computed numerically by solving the generalized eigenvalue equations via a customized MATLAB code. The comprehensive behaviour of the current finite element solutions (minimum buckling load parameter) is established by solving the adequate number of numerical examples including the given input parameter. The current numerical model is extended further to check the influence of various structural parameter of the sandwich panel on the buckling temperature including the SMA effect and reported in details.

Optimization of flexible wing structures subject to strength and induced drag constraints

NASA Technical Reports Server (NTRS)

Haftka, R. T.

1977-01-01

An optimization procedure for designing wing structures subject to stress, strain, and drag constraints is presented. The optimization method utilizes an extended penalty function formulation for converting the constrained problem into a series of unconstrained ones. Newton's method is used to solve the unconstrained problems. An iterative analysis procedure is used to obtain the displacements of the wing structure including the effects of load redistribution due to the flexibility of the structure. The induced drag is calculated from the lift distribution. Approximate expressions for the constraints used during major portions of the optimization process enhance the efficiency of the procedure. A typical fighter wing is used to demonstrate the procedure. Aluminum and composite material designs are obtained. The tradeoff between weight savings and drag reduction is investigated.

Structured functional additive regression in reproducing kernel Hilbert spaces.

PubMed

Zhu, Hongxiao; Yao, Fang; Zhang, Hao Helen

2014-06-01

Functional additive models (FAMs) provide a flexible yet simple framework for regressions involving functional predictors. The utilization of data-driven basis in an additive rather than linear structure naturally extends the classical functional linear model. However, the critical issue of selecting nonlinear additive components has been less studied. In this work, we propose a new regularization framework for the structure estimation in the context of Reproducing Kernel Hilbert Spaces. The proposed approach takes advantage of the functional principal components which greatly facilitates the implementation and the theoretical analysis. The selection and estimation are achieved by penalized least squares using a penalty which encourages the sparse structure of the additive components. Theoretical properties such as the rate of convergence are investigated. The empirical performance is demonstrated through simulation studies and a real data application.

Molecular Dynamical Simulation of Thermal Conductivity in Amorphous Structures

NASA Astrophysics Data System (ADS)

Deangelis, Freddy; Henry, Asegun

While current descriptions of thermal transport exists for well-ordered materials such as crystal latices, new methods are needed to describe thermal transport in disordered materials, including amorphous solids. Because such structures lack periodic, long-range order, a group velocity cannot be defined for thermal modes of vibration; thus, the phonon gas model cannot be applied to these structures. Instead, a new framework must be applied to analyze such materials. Using a combination of density functional theory and molecular dynamics, we have analyzed thermal transport in amorphous structures, chiefly amorphous germanium. The analysis allows us to categorize vibrational modes as propagons, diffusons, or locons, and to determine how they contribute to thermal conductivity within amorphous structures. This method is also being extended to other disordered structures such as amorphous polymers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1148903.

BAYESIAN PROTEIN STRUCTURE ALIGNMENT.

PubMed

Rodriguez, Abel; Schmidler, Scott C

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over evolutionary timescales. A key challenge is the identification and evaluation of structural similarity between proteins; such analysis can aid in understanding the role of newly discovered proteins and help elucidate evolutionary relationships between organisms. Computational biologists have developed many clever algorithmic techniques for comparing protein structures, however, all are based on heuristic optimization criteria, making statistical interpretation somewhat difficult. Here we present a fully probabilistic framework for pairwise structural alignment of proteins. Our approach has several advantages, including the ability to capture alignment uncertainty and to estimate key "gap" parameters which critically affect the quality of the alignment. We show that several existing alignment methods arise as maximum a posteriori estimates under specific choices of prior distributions and error models. Our probabilistic framework is also easily extended to incorporate additional information, which we demonstrate by including primary sequence information to generate simultaneous sequence-structure alignments that can resolve ambiguities obtained using structure alone. This combined model also provides a natural approach for the difficult task of estimating evolutionary distance based on structural alignments. The model is illustrated by comparison with well-established methods on several challenging protein alignment examples.

How Do You Play? A Comparison among Children Aged 4–10

PubMed Central

Delvecchio, Elisa; Li, Jian-Bin; Pazzagli, Chiara; Lis, Adriana; Mazzeschi, Claudia

2016-01-01

Pretend play has a central role for children's development and psychological well-being. However, there is a paucity of standardized and valid measures specifically devoted to assess the core domains involved in play activities in preschool and primary school children. The Affect in Play Scale-Preschool (4–5 years) and the Affect in Play Scale-Preschool Extended Version (6–10 years) are semi-structured parallel tools designed to explore child's cognitive and affective processes using a standardized play task. The current study administered this 5-min play task to 538 Italian children aged 4–10. The purposes were to compare play abilities in boys vs. girls and in preschool vs. primary school children, to correlate pretend play with divergent thinking and to evaluate the structural validity of the measure along the considered age span. No differences, excepting for Organization, were found between boys and girls, whereas school age children reported higher play abilities then the younger ones. External validity was assessed using correlational analysis with the divergent thinking task (the Alternate Uses Test) for preschoolers and primary school-aged children, in line with findings from Manova. Construct validity, assessed through the Confirmatory Factor Analysis, showed good fits for the two-factor model with cognitive and affective factor for both the Affect in Play Scale-Preschool and its Extended Version. A multi-group factor analysis suggested a partial invariance of the two-factor model across preschool (4–5 years old) and primary school-aged (6–10 years old) children. Results supported the use of the Affect in Play Scale-Preschool and its Extended Version as adequate measures to assess the interplay of cognitive and affective skills in preschool and school age children. The discussion highlights clinical and research implications linked to the possibility to have a unique play task able to assess child's affective and cognitive abilities throughout a quite wide life span (from 4 to 10 years old). PMID:27909423

Temperature-Dependent Second Shell Interference in the First Shell Analysis of Crystalline InP X-ray Absorption Spectroscopy Data

NASA Astrophysics Data System (ADS)

Schnohr, Claudia S.; Araujo, Leandro L.; Ridgway, Mark C.

2014-09-01

Analysing only the first nearest neighbour (NN) scattering signal is a commonly used and often successful way to treat extended X-ray absorption fine structure data. However, using temperature-dependent measurements of InP as an example, we demonstrate how this approach can lead to erroneous first NN structural parameters in systems with a weak first but strong second NN scatterer. In such cases, particularly low temperature data may suffer from an overlap of first and second NN scattering signals caused by the Fourier transformation (FT) even if the dominant peaks appear to be well separated. The first NN structural parameters then vary as a function of the FT settings if only the first NN scattering contribution is considered in the analysis. Although this variation is small, it can also lead to significant differences in other calculated properties such as the Einstein temperature. We demonstrate that these variations can be avoided either by choosing an appropriate FT window or by including the scattering contributions of higher shells in the analysis. The latter is achieved by a path fitting approach and yields structural parameters independent of the FT settings used.

Reconstitution of SNARE proteins into solid-supported lipid bilayer stacks and X-ray structure analysis.

PubMed

Xu, Yihui; Kuhlmann, Jan; Brennich, Martha; Komorowski, Karlo; Jahn, Reinhard; Steinem, Claudia; Salditt, Tim

2018-02-01

SNAREs are known as an important family of proteins mediating vesicle fusion. For various biophysical studies, they have been reconstituted into supported single bilayers via proteoliposome adsorption and rupture. In this study we extended this method to the reconstitution of SNAREs into supported multilamellar lipid membranes, i.e. oriented multibilayer stacks, as an ideal model system for X-ray structure analysis (X-ray reflectivity and diffraction). The reconstitution was implemented through a pathway of proteomicelle, proteoliposome and multibilayer. To monitor the structural evolution in each step, we used small-angle X-ray scattering for the proteomicelles and proteoliposomes, followed by X-ray reflectivity and grazing-incidence small-angle scattering for the multibilayers. Results show that SNAREs can be successfully reconstituted into supported multibilayers, with high enough orientational alignment for the application of surface sensitive X-ray characterizations. Based on this protocol, we then investigated the effect of SNAREs on the structure and phase diagram of the lipid membranes. Beyond this application, this reconstitution protocol could also be useful for X-ray analysis of many further membrane proteins. Copyright © 2017 Elsevier B.V. All rights reserved.

The highly pathogenic H7N3 avian influenza strain from July 2012 in Mexico acquired an extended cleavage site through recombination with host 28S rRNA.

PubMed

Maurer-Stroh, Sebastian; Lee, Raphael T C; Gunalan, Vithiagaran; Eisenhaber, Frank

2013-05-01

A characteristic difference between highly and non-highly pathogenic avian influenza strains is the presence of an extended, often multibasic, cleavage motif insertion in the hemagglutinin protein. Such motif is found in H7N3 strains from chicken farm outbreaks in 2012 in Mexico. Through phylogenetic, sequence and structural analysis, we try to shed light on the role, prevalence, likelihood of appearance and origin of the inserted cleavage motifs in these H7N3 avian influenza strains. The H7N3 avian influenza strain which caused outbreaks in chicken farms in June/July 2012 in Mexico has a new extended cleavage site which is the likely reason for its high pathogenicity in these birds. This cleavage site appears to have been naturally acquired and was not present in the closest low pathogenic precursors. Structural modeling shows that insertion of a productive cleavage site is quite flexible to accept insertions of different length and with sequences from different possible origins. Different from recent cleavage site insertions, the origin of the insert here is not from the viral genome but from host 28S ribosomal RNA (rRNA) instead. This is a novelty for a natural acquisition as a similar insertion has so far only been observed in a laboratory strain before. Given the abundance of viral and host RNA in infected cells, the acquisition of a pathogenicity-enhancing extended cleavage site through a similar route by other low-pathogenic avian strains in future does not seem unlikely. Important for surveillance of these H7N3 strains, the structural sites known to enhance mammalian airborne transmission are dominated by the characteristic avian residues and the risk of human to human transmission should currently be low but should be monitored for future changes accordingly. This highly pathogenic H7N3 avian influenza strain acquired a novel extended cleavage site which likely originated from recombination with 28S rRNA from the avian host. Notably, this new virus can infect humans but currently lacks critical host receptor adaptations that would facilitate human to human transmission.

An innovative application of extended exergy analysis into an industrial park.

PubMed

Fan, Yupeng; Qiao, Qi; Fang, Lin

2017-04-01

Exergy is a thermodynamic term used to account all possible useful work theoretically throughout one process when it is brought into equilibrium with its environment. It however cannot directly incorporate non-physical flows, which can be accounted by extensions of the exergy consumption method. Extended exergy, which builds a bridge between thermal and anthropic dimensions, can both measure resource consumption and economic system. In this study, we applied extended exergy analysis to analyze an industrial park, including material consumption, social investment, and environmental influence. The total extended exergy consumption in the study park amounts to 2.52 EJ. The material-based exergy occupies the largest exergy consumption, followed by capital exergy, environmental remediation exergy, and labor exergy in decreasing order. The exergy capacity was proposed to depict the conversion ability from exergy consumption into economic benefits. In the study area, electronic information industry has the largest exergy capacity with a value of 70 RMB/GJ, indicating a high conversion power from exergy to money. New energy vehicles and parts manufacturing occupies bottom rung in terms of exergy capacity. From the view of material consumption, other industry consumed a lot more exergy compared to electronic information industry; for the environmental remediation, other industry has the lowest exergy capacity, indicating it discharged more pollutants than other clusters to output the same amount of money. Therefore, other industry needs to be urgently transformed and upgraded. The study could help to optimize industrial structure and environmental management in industrial parks.

Active site nanospace of aminoacyl tRNA synthetase: difference between the class I and class II synthetases.

PubMed

Dutta, Saheb; Choudhury, Kaberi; Banik, Sindrila Dutta; Nandi, Nilashis

2014-03-01

The present work is aimed at understanding the origin of the difference in the molecular organization of the active site nanospaces of the class I and class II aminoacyl tRNA synthetases (aaRSs) which are tunnel-like structures. The active site encloses the cognate amino acid (AA) and the adenosine triphosphate (ATP) to carry out aminoacylation reaction. Comparison of the structures of the active site of the class I and class II (aaRSs) shows that the nanodimensional tunnels are curved in opposite directions in the two classes. We investigated the origin of this difference using quantum mechanical computation of electrostatic potential (ESP) of substrates, surrounding residues and ions, using Atoms in Molecule (AIM) Theory and charge population analysis. We show that the difference is principally due to the variation in the spatial charge distribution of ATP in the two classes which correspond to extended and bent conformations of ATP. The present computation shows that the most feasible pathway for nucleophilic attack to alphaP is oppositely directed for class I and class II aaRSs. The available crystal structures show that the cognate AA is indeed located along the channel favorable for nucleophilic attack as predicted by the ESP analysis. It is also shown that the direction of the channel changes its orientation when the orientation of ATP is changed from extended to a bent like structure. We further used the AIM theory to confirm the direction of the approach of AA in each case and the results corroborate the results from the ESP analysis. The opposite curvatures of the active site nanospaces in class I and class II aaRSs are related with the influence of the charge distributions of the extended and bent conformations of ATP, respectively. The results of the computation of electrostatic potential by successive addition of active site residues show that their roles on the reaction are similar in both classes despite the difference in the organization of the active sites of class I and class II aaRSs. The difference in mechanism in two classes as pointed out in recent study (S. Dutta Banik and N. Nandi, J. Biomol. Struct. Dyn. 30, 701 (2012)) is related with the fact that the relative arrangement of the ATP with respect to the AA is opposite in class I and class II aaRSs as explained in the present work. The charge population difference between the reacting centers (which are the alphaP atom of ATP (q(p)) and the attacking oxygen atom of carboxylic acid group (q(o)), respectively) denoted by delta(q), is a measure of the propensity of nucleophilic attack. The population analysis of the substrate AA shows that a non-negligible difference exists between the attacking oxygens of AA in class I (syn) and in class II (anti) which is one reason for the lower value of delta(q) in class II relative to class I. The population analysis of the AA, ATP, Mg+2 ions and active site residues shows that the difference in delta(q) values of the two classes is substantially reduced. When ions and residues are considered. Thus, the bent state of ATP, Mg+2 ions and active site residues complements it cognate AA to carry out the nucleophilic reaction in class I as efficiently as occurs in class I (with the extended state of ATP, single Mg+2 ion and active site residues). This could be one reason for the two different conformations of ATP in the two classes. The mutual arrangements of AA and ATP in each aaRS are guided by the spatial charge distribution of ATP (extended and bent). The present work shows that the construction of nanospace complements the arrangement of the substrate (AA and ATP).

X-Ray Absorption Near Edge Structure And Extended X-Ray Absorption Fine Structure Analysis of Standards And Biological Samples Containing Mixed Oxidation States of Chromium(III) And Chromium(VI)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parsons, J.G.; Dokken, K.; Peralta-Videa, J.R.

For the first time a method has been developed for the extended X-ray absorption fine structure (EXAFS) data analyses of biological samples containing multiple oxidation states of chromium. In this study, the first shell coordination and interatomic distances based on the data analysis of known standards of potassium chromate (Cr(VI)) and chromium nitrate hexahydrate (Cr(III)) were investigated. The standards examined were mixtures of the following molar ratios of Cr(VI):Cr(III), 0:1, 0.25:0.75, 0.5:0.5, 0.75:0.25, and 1:0. It was determined from the calibration data that the fitting error associated with linear combination X-ray absorption near edge structure (LC-XANES) fittings was approximately {+-}10%more » of the total fitting. The peak height of the Cr(VI) pre-edge feature after normalization of the X-ray absorption (XAS) spectra was used to prepare a calibration curve. The EXAFS fittings of the standards were also investigated and fittings to lechuguilla biomass samples laden with different ratios of Cr(III) and Cr(VI) were performed as well. An excellent agreement between the XANES data and the data presented in the EXAFS spectra was observed. The EXFAS data also presented mean coordination numbers directly related to the ratios of the different chromium oxidation states in the sample. The chromium oxygen interactions had two different bond lengths at approximately 1.68 and 1.98 {angstrom} for the Cr(VI) and Cr(III) in the sample, respectively.« less

Functional Extended Redundancy Analysis

ERIC Educational Resources Information Center

Hwang, Heungsun; Suk, Hye Won; Lee, Jang-Han; Moskowitz, D. S.; Lim, Jooseop

2012-01-01

We propose a functional version of extended redundancy analysis that examines directional relationships among several sets of multivariate variables. As in extended redundancy analysis, the proposed method posits that a weighed composite of each set of exogenous variables influences a set of endogenous variables. It further considers endogenous…

Gamma irradiation degradation/modification of 5-ethylidene 2-norbornene (ENB)-based ethylene propylene diene rubber (EPDM) depending on ENB content of EPDM and type/content of peroxides used in vulcanization

NASA Astrophysics Data System (ADS)

Özdemir, Tonguç

2008-06-01

In this study, the radiation degradation/modification of the vulcanized EPDM and the effects of dose rate, peroxide type/content in vulcanization system and ENB content of EPDM were studied to investigate the change in the extend of the modification/degradation of the mechanical properties of vulcanized EPDM via gamma irradiation. In addition, thermal, dynamic mechanical, ATR-FTIR, TGA, TGA-FTIR tests were carried out to understand the change of properties of vulcanized EPDM via irradiation. Samples were irradiated with two different dose rates of 1280 and 64.6 Gy/h. Total dose of irradiation was up to 184 kGy. The FTIR spectral analysis showed structural changes of EPDM via irradiation. It was observed that the dose rate changed the mechanical properties with different extends. The change of ENB content of EPDM and peroxide type and content in vulcanization system affect extend of the modification/degradation of the EPDM's properties.

The application of cluster analysis in the intercomparison of loop structures in RNA.

PubMed

Huang, Hung-Chung; Nagaswamy, Uma; Fox, George E

2005-04-01

We have developed a computational approach for the comparison and classification of RNA loop structures. Hairpin or interior loops identified in atomic resolution RNA structures were intercompared by conformational matching. The root-mean-square deviation (RMSD) values between all pairs of RNA fragments of interest, even if from different molecules, are calculated. Subsequently, cluster analysis is performed on the resulting matrix of RMSD distances using the unweighted pair group method with arithmetic mean (UPGMA). The cluster analysis objectively reveals groups of folds that resemble one another. To demonstrate the utility of the approach, a comprehensive analysis of all the terminal hairpin tetraloops that have been observed in 15 RNA structures that have been determined by X-ray crystallography was undertaken. The method found major clusters corresponding to the well-known GNRA and UNCG types. In addition, two tetraloops with the unusual primary sequence UMAC (M is A or C) were successfully assigned to the GNRA cluster. Larger loop structures were also examined and the clustering results confirmed the occurrence of variations of the GNRA and UNCG tetraloops in these loops and provided a systematic means for locating them. Nineteen examples of larger loops that closely resemble either the GNRA or UNCG tetraloop were found in the large ribosomal RNAs. When the clustering approach was extended to include all structures in the SCOR database, novel relationships were detected including one between the ANYA motif and a less common folding of the GAAA tetraloop sequence.

The application of cluster analysis in the intercomparison of loop structures in RNA

PubMed Central

HUANG, HUNG-CHUNG; NAGASWAMY, UMA; FOX, GEORGE E.

2005-01-01

We have developed a computational approach for the comparison and classification of RNA loop structures. Hairpin or interior loops identified in atomic resolution RNA structures were intercompared by conformational matching. The root-mean-square deviation (RMSD) values between all pairs of RNA fragments of interest, even if from different molecules, are calculated. Subsequently, cluster analysis is performed on the resulting matrix of RMSD distances using the unweighted pair group method with arithmetic mean (UPGMA). The cluster analysis objectively reveals groups of folds that resemble one another. To demonstrate the utility of the approach, a comprehensive analysis of all the terminal hairpin tetraloops that have been observed in 15 RNA structures that have been determined by X-ray crystallography was undertaken. The method found major clusters corresponding to the well-known GNRA and UNCG types. In addition, two tetraloops with the unusual primary sequence UMAC (M is A or C) were successfully assigned to the GNRA cluster. Larger loop structures were also examined and the clustering results confirmed the occurrence of variations of the GNRA and UNCG tetraloops in these loops and provided a systematic means for locating them. Nineteen examples of larger loops that closely resemble either the GNRA or UNCG tetraloop were found in the large ribosomal RNAs. When the clustering approach was extended to include all structures in the SCOR database, novel relationships were detected including one between the ANYA motif and a less common folding of the GAAA tetraloop sequence. PMID:15769871

Model construction and superconductivity analysis of organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta) based on first-principles band calculation

NASA Astrophysics Data System (ADS)

Aizawa, H.; Kuroki, K.; Yasuzuka, S.; Yamada, J.

2012-11-01

We perform a first-principles band calculation for a group of quasi-two-dimensional organic conductors β-(BDA-TTP)2MF6 (M = P, As, Sb and Ta). The ab-initio calculation shows that the density of states is correlated with the bandwidth of the singly occupied (highest) molecular orbital, while it is not necessarily correlated with the unit-cell volume. The direction of the major axis of the cross section of the Fermi surface lies in the Γ-B-direction, which differs from that obtained by the extended Hückel calculation. Then, we construct a tight-binding model which accurately reproduces the ab-initio band structure. The obtained transfer energies give a smaller dimerization than in the extended Hückel band. As to the difference in the anisotropy of the Fermi surface, the transfer energies along the inter-stacking direction are smaller than those obtained in the extended Hückel calculation. Assuming spin-fluctuation-mediated superconductivity, we apply random phase approximation to a two-band Hubbard model. This two-band Hubbard model is composed of the tight-binding model derived from the first-principles band structure and an on-site (intra-molecule) repulsive interaction taken as a variable parameter. The obtained superconducting gap changes sign four times along the Fermi surface like in a d-wave gap, and the nodal direction is different from that obtained in the extended Hückel model. Anion dependence of Tc is qualitatively consistent with the experimental observation.

Constraint Network Analysis (CNA): a Python software package for efficiently linking biomacromolecular structure, flexibility, (thermo-)stability, and function.

PubMed

Pfleger, Christopher; Rathi, Prakash Chandra; Klein, Doris L; Radestock, Sebastian; Gohlke, Holger

2013-04-22

For deriving maximal advantage from information on biomacromolecular flexibility and rigidity, results from rigidity analyses must be linked to biologically relevant characteristics of a structure. Here, we describe the Python-based software package Constraint Network Analysis (CNA) developed for this task. CNA functions as a front- and backend to the graph-based rigidity analysis software FIRST. CNA goes beyond the mere identification of flexible and rigid regions in a biomacromolecule in that it (I) provides a refined modeling of thermal unfolding simulations that also considers the temperature-dependence of hydrophobic tethers, (II) allows performing rigidity analyses on ensembles of network topologies, either generated from structural ensembles or by using the concept of fuzzy noncovalent constraints, and (III) computes a set of global and local indices for quantifying biomacromolecular stability. This leads to more robust results from rigidity analyses and extends the application domain of rigidity analyses in that phase transition points ("melting points") and unfolding nuclei ("structural weak spots") are determined automatically. Furthermore, CNA robustly handles small-molecule ligands in general. Such advancements are important for applying rigidity analysis to data-driven protein engineering and for estimating the influence of ligand molecules on biomacromolecular stability. CNA maintains the efficiency of FIRST such that the analysis of a single protein structure takes a few seconds for systems of several hundred residues on a single core. These features make CNA an interesting tool for linking biomacromolecular structure, flexibility, (thermo-)stability, and function. CNA is available from http://cpclab.uni-duesseldorf.de/software for nonprofit organizations.

Pressure-induced structural transformations of the Zintl phase sodium silicide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cabrera, Raul Quesada; Salamat, Ashkan; Barkalov, Oleg I.

The high-pressure behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction to observe the onset of structural phase transformations and potential oligomerisation into anionic Si nanoclusters with extended dimensionality. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation above 15 GPa, suggesting the formation of Si-Si bonds with oxidation of the Si{sup -} species and reduction of Na{sup +} to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure. - Abstract: The high-pressuremore » behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction. Our studies reveal a first structural transformation occurring at 8-10 GPa, followed by irreversible amorphisation, suggesting the formation of Si-Si bonds with oxidation of the Si{sup -} species and reduction of Na{sup +} to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure. Display Omitted« less

A watershed-based adaptive knowledge system for developing ecosystem stakeholder partnerships

NASA Astrophysics Data System (ADS)

Lin, Hebin; Thornton, Jeffrey A.; Shadrin, Nickolai

2015-11-01

This study proposes a Watershed-based Adaptive Knowledge System (WAKES) to consistently coordinate multiple stakeholders in developing sustainable partnerships for ecosystem management. WAKES is extended from the institutional mechanism of Payments for Improving Ecosystem Services at the Watershed-scale (PIES-W). PIES-W is designed relating to the governance of ecosystem services fl ows focused on a lake as a resource stock connecting its infl owing and outfl owing rivers within its watershed. It explicitly realizes the values of conservation services provided by private land managers and incorporates their activities into the public organizing framework for ecosystem management. It implicitly extends the "upstream-to-downstream" organizing perspective to a broader vision of viewing the ecosystems as comprised of both "watershed landscapes" and "marine landscapes". Extended from PIES-W, WAKES specifies two corresponding feedback: Framework I and II. Framework I is a relationship matrix comprised of three input-output structures of primary governance factors intersecting three subsystems of a watershed with regard to ecosystem services and human stakeholders. Framework II is the Stakeholder-and-Information structure channeling five types of information among four stakeholder groups in order to enable the feedbacks mechanism of Framework I. WAKES identifies the rationales behind three fundamental information transformations, illustrated with the Transboundary Diagnostic Analysis and the Strategic Action Program of the Bermejo River Binational Basin. These include (1) translating scientific knowledge into public information within the Function-and-Service structure corresponding to the ecological subsystem, (2) incorporating public perceptions into political will within the Service- and- Value structure corresponding to the economic subsystem, and (3) integrating scientific knowledge, public perceptions and political will into management options within the Value-and-Stakeholder structure corresponding to the social subsystem. This study seeks to share a vision of social adaptation for a global sustainable future through developing a network to adopt contributions from and forming partnerships among all ecosystem stakeholders.

Biosynthetic multitasking facilitates thalassospiramide structural diversity in marine bacteria.

PubMed

Ross, Avena C; Xu, Ying; Lu, Liang; Kersten, Roland D; Shao, Zongze; Al-Suwailem, Abdulaziz M; Dorrestein, Pieter C; Qian, Pei-Yuan; Moore, Bradley S

2013-01-23

Thalassospiramides A and B are immunosuppressant cyclic lipopeptides first reported from the marine α-proteobacterium Thalassospira sp. CNJ-328. We describe here the discovery and characterization of an extended family of 14 new analogues from four Tistrella and Thalassospira isolates. These potent calpain 1 protease inhibitors belong to six structure classes in which the length and composition of the acylpeptide side chain varies extensively. Genomic sequence analysis of the thalassospiramide-producing microbes revealed related, genus-specific biosynthetic loci encoding hybrid nonribosomal peptide synthetase/polyketide synthases consistent with thalassospiramide assembly. The bioinformatics analysis of the gene clusters suggests that structural diversity, which ranges from the 803.4 Da thalassospiramide C to the 1291.7 Da thalassospiramide F, results from a complex sequence of reactions involving amino acid substrate channeling and enzymatic multimodule skipping and iteration. Preliminary biochemical analysis of the N-terminal nonribosomal peptide synthetase module from the Thalassospira TtcA megasynthase supports a biosynthetic model in which in cis amino acid activation competes with in trans activation to increase the range of amino acid substrates incorporated at the N terminus.

Biosynthetic Multitasking Facilitates Thalassospiramide Structural Diversity in Marine Bacteria

PubMed Central

Ross, Avena C.; Xu, Ying; Lu, Liang; Kersten, Roland D.; Shao, Zongze; Al-Suwailem, Abdulaziz M.; Dorrestein, Pieter C.; Qian, Pei-Yuan; Moore, Bradley S.

2013-01-01

Thalassospiramides A and B are immunosuppressant cyclic lipopeptides first reported from the marine α-proteobacterium Thalassospira sp. CNJ-328. We describe here the discovery and characterization of an extended family of 14 new analogues from four Tistrella and Thalassospira isolates. These potent calpain 1 protease inhibitors belong to six structure classes in which the length and composition of the acylpeptide side chain varies extensively. Genomic sequence analysis of the thalassospiramide-producing microbes revealed related, genus-specific biosynthetic loci encoding hybrid nonribosomal peptide synthetase/polyketide synthases consistent with thalassospiramide assembly. The bioinformatics analysis of the gene clusters suggests that structural diversity, which ranges from the 803.4 Da thalassospiramide C to the 1291.7 Da thalassospiramide F, results from a complex sequence of reactions involving amino acid substrate channeling and enzymatic multi-module skipping and iteration. Preliminary biochemical analysis of the N-terminal NRPS module from the Thalassospira TtcA megasynthase supports a biosynthetic model in which in cis amino acid activation competes with in trans activation to increase the range of amino acid substrates incorporated at the N-terminus. PMID:23270364

Three-dimensional Talairach-Tournoux brain atlas

NASA Astrophysics Data System (ADS)

Fang, Anthony; Nowinski, Wieslaw L.; Nguyen, Bonnie T.; Bryan, R. Nick

1995-04-01

The Talairach-Tournoux Stereotaxic Atlas of the human brain is a frequently consulted resource in stereotaxic neurosurgery and computer-based neuroradiology. Its primary application lies in the 2-D analysis and interpretation of neurological images. However, for the purpose of the analysis and visualization of shapes and forms, accurate mensuration of volumes, or 3-D models matching, a 3-D representation of the atlas is essential. This paper proposes and describes, along with its difficulties, a 3-D geometric extension of the atlas. We introduce a `zero-potential' surface smoothing technique, along with a space-dependent convolution kernel and space-dependent normalization. The mesh-based atlas structures are hierarchically organized, and anatomically conform to the original atlas. Structures and their constituents can be independently selected and manipulated in real-time within an integrated system. The extended atlas may be navigated by itself, or interactively registered with patient data with the proportional grid system (piecewise linear) transformation. Visualization of the geometric atlas along with patient data gives a remarkable visual `feel' of the biological structures, not usually perceivable to the untrained eyes in conventional 2-D atlas to image analysis.

Solid-state NMR characterization of cross-linking in EPDM/PP blends from 1H-13C polarization transfer dynamics.

PubMed

Aluas, Mihaela; Filip, Claudiu

2005-05-01

A novel approach for solid-state NMR characterization of cross-linking in polymer blends from the analysis of (1)H-(13)C polarization transfer dynamics is introduced. It extends the model of residual dipolar couplings under permanent cross-linking, typically used to describe (1)H transverse relaxation techniques, by considering a more realistic distribution of the order parameter along a polymer chain in rubbers. Based on a systematic numerical analysis, the extended model was shown to accurately reproduce all the characteristic features of the cross-polarization curves measured on such materials. This is particularly important for investigating blends of great technological potential, like thermoplastic elastomers, where (13)C high-resolution techniques, such as CP-MAS, are indispensable to selectively investigate structural and dynamical properties of the desired component. The validity of the new approach was demonstrated using the example of the CP build-up curves measured on a well resolved EPDM resonance line in a series of EPDM/PP blends.

Extended performance solar electric propulsion thrust system study. Volume 1: Executive summary

NASA Technical Reports Server (NTRS)

Poeschel, R. L.; Hawthorne, E. I.

1977-01-01

Several thrust system design concepts were evaluated and compared using the specifications of the most advanced 30 cm engineering model thruster as the technology base. The extensions in thruster performance required for the Halley's comet mission were defined and alternative thrust system concepts were designed. Confirmation testing and analysis of thruster and power-processing components were performed, and the feasibility of satisfying extended performance requirements was verified. A baseline design was selected from the alternatives considered, and the design analysis and documentation were refined. A program development plan was formulated that outlines the work structure considered necessary for developing, qualifying, and fabricating the flight hardware for the baseline thrust system within the time frame of a project to rendezvous with Halley's comet. An assessment was made of the costs and risks associated with a baseline thrust system as provided to the mission project under this plan. Critical procurements and interfaces were identified and defined. Results are presented.

Interferometric Laser Scanner for Direction Determination

PubMed Central

Kaloshin, Gennady; Lukin, Igor

2016-01-01

In this paper, we explore the potential capabilities of new laser scanning-based method for direction determination. The method for fully coherent beams is extended to the case when interference pattern is produced in the turbulent atmosphere by two partially coherent sources. The performed theoretical analysis identified the conditions under which stable pattern may form on extended paths of 0.5–10 km in length. We describe a method for selecting laser scanner parameters, ensuring the necessary operability range in the atmosphere for any possible turbulence characteristics. The method is based on analysis of the mean intensity of interference pattern, formed by two partially coherent sources of optical radiation. Visibility of interference pattern is estimated as a function of propagation pathlength, structure parameter of atmospheric turbulence, and spacing of radiation sources, producing the interference pattern. It is shown that, when atmospheric turbulences are moderately strong, the contrast of interference pattern of laser scanner may ensure its applicability at ranges up to 10 km. PMID:26805841

Interferometric Laser Scanner for Direction Determination.

PubMed

Kaloshin, Gennady; Lukin, Igor

2016-01-21

In this paper, we explore the potential capabilities of new laser scanning-based method for direction determination. The method for fully coherent beams is extended to the case when interference pattern is produced in the turbulent atmosphere by two partially coherent sources. The performed theoretical analysis identified the conditions under which stable pattern may form on extended paths of 0.5-10 km in length. We describe a method for selecting laser scanner parameters, ensuring the necessary operability range in the atmosphere for any possible turbulence characteristics. The method is based on analysis of the mean intensity of interference pattern, formed by two partially coherent sources of optical radiation. Visibility of interference pattern is estimated as a function of propagation pathlength, structure parameter of atmospheric turbulence, and spacing of radiation sources, producing the interference pattern. It is shown that, when atmospheric turbulences are moderately strong, the contrast of interference pattern of laser scanner may ensure its applicability at ranges up to 10 km.

Special aspects of social support: Qualitative analysis of oncologic rehabilitation through a belly dancing peer support group.

PubMed

Szalai, M; Szirmai, A; Füge, K; Makai, A; Erdélyi, G; Prémusz, V; Bódis, J

2017-11-01

Tumour-related peer support groups (PSGs) show long-term development in quality of life and coping, and decrease distress in cancer care. To clarify channels of social support in oncologic rehabilitation by combined exercise and psychosocial therapy, individual semi-structured interviews were conducted after 1 year additional belly dance rehabilitation in a closed PSG among 51 patients with malignant tumour diagnosis in Budapest, Hungary. Interview data were transcribed and analysed using qualitative content analysis (ATLAS.ti 6 Win). Results suggest that group experience provides emotional-, practical- and informational support. We could point out specific social effects of "role model" function and extend the coping model. The group dispose all the features of effective suggestion and may be effectively applied as additional therapy for patients with malignancies. The extended coping model and the introduction of "role model" function could be useful for PSGs' efficacy assessment. © 2017 John Wiley & Sons Ltd.

Child versus adult psychoanalysis: two processes or one?

PubMed

Sugarman, Alan

2009-12-01

Child analysis continues to be seen as a different technique from adult analysis because children are still involved in a developmental process and because the primary objects continue to play active roles in their lives. This paper argues that this is a false dichotomy. An extended vignette of the analysis of a latency-aged girl is used to demonstrate that the psychoanalytic process that develops in child analysis is structurally the same as that in adult analysis. Both revolve around the analysis of resistance and transference and use both to promote knowledge of the patient's mind at work. And both techniques formulate interventions based on the analyst's appraisal of the patient's mental organization. It is hoped that stressing the essential commonality of both techniques will promote the development of an overarching theory of psychoanalytic technique.

Crystal structure of a super leucine zipper, an extended two-stranded super long coiled coil

PubMed Central

Diao, Jiasheng

2010-01-01

Coiled coil is a ubiquitous structural motif in proteins, with two to seven alpha helices coiled together like the strands of a rope, and coiled coil folding and assembly is not completely understood. A GCN4 leucine zipper mutant with four mutations of K3A, D7A, Y17W, and H18N has been designed, and the crystal structure has been determined at 1.6 Å resolution. The peptide monomer shows a helix trunk with short curved N- and C-termini. In the crystal, two monomers cross in 35° and form an X-shaped dimer, and each X-shaped dimer is welded into the next one through sticky hydrophobic ends, thus forming an extended two-stranded, parallel, super long coiled coil rather than a discrete, two-helix coiled coil of the wild-type GCN4 leucine zipper. Leucine residues appear at every seventh position in the super long coiled coil, suggesting that it is an extended super leucine zipper. Compared to the wild-type leucine zipper, the N-terminus of the mutant has a dramatic conformational change and the C-terminus has one more residue Glu 32 determined. The mutant X-shaped dimer has a large crossing angle of 35° instead of 18° in the wild-type dimer. The results show a novel assembly mode and oligomeric state of coiled coil, and demonstrate that mutations may affect folding and assembly of the overall coiled coil. Analysis of the formation mechanism of the super long coiled coil may help understand and design self-assembling protein fibers. PMID:20027625

Extended kin and children's behavioral functioning: Family structure and parental immigrant status.

PubMed

Kang, Jeehye; Cohen, Philip N

2017-08-01

Using the Los Angeles Family and Neighborhood Survey (L.A. FANS), this paper examines the association between the presence of co-resident extended kin and children's internalizing and externalizing behaviors. The paper demonstrates the differential role of extended kin by family structure, as well as across parental immigrant status - specifically, nativity and documentation status. Children in the sample were found to be disadvantaged in extended family households, especially with regard to internalizing behaviors. This disadvantageous association was found mostly among married-parent extended family households, whereas there was no association between the presence of extended kin and behavior problems in children from single-parent families. This pattern emerged more clearly among children of documented immigrants, compared to those with native-born parents and those whose parents were unauthorized immigrants. These findings suggest a need to modify previous theories on extended family living arrangements; they also provide policy implications for immigrant families. Copyright © 2017 Elsevier Ltd. All rights reserved.

Outcomes of extended oral contraceptive regimens with a shortened hormone-free interval to manage breakthrough bleeding.

PubMed

Sulak, Patricia J; Carl, Jenny; Gopalakrishnan, Isai; Coffee, Andrea; Kuehl, Thomas J

2004-10-01

To evaluate in a clinical practice setting the acceptance, continuation and variability of extending the active interval of oral contraceptives (OCs) with introduction of a shortened hormone-free interval (HFI) to manage breakthrough bleeding. A retrospective review was undertaken of patients seen by one obstetrician/gynecologist and counseled on extending the active interval of OCs with a shortened HFI of 3-4 days to manage bleeding. Electronic medical records were searched for the phrase "extending the number of active pills" for patients counseled between January 1, 2000, and January 31, 2003, with follow-up through January 31, 2004. A structured query of each patient's initial and follow-up records was performed. The 220 patients counseled on the extended regimen were 14-52 years of age (mean 36.4, SD 9.3 years). At initial counseling before extending, the majority of patients cited more than one reason for using OCs in the standard fashion with 59% using OCs for noncontraceptive reasons. Reasons for extending the active interval of OCs included premenstrual symptoms (45%), dysmenorrhea/pelvic pain (40%), heavy withdrawal bleeding (36%), menstrual associated headaches (35%), convenience (13%), acne associated with menses (10%) and other (15%). Of the 181 patients with follow-up data, 174 (96%) attempted an extended regimen with 121 (67%) continuing to do so at last follow-up. Follow-up intervals ranged from 0.3 to 3.8 years (mean 1.6 years). Using Kaplan-Meier product limit survival analysis, 60% of patients continued using extended patterns of OCs for more than 2 years. For 121 currently extending, the HFI varied from 0 to 7 days with 88% utilizing a 0 to 4 day HFI. Sixty percent of patients offered extending the active interval and shortening the HFI of OCs initiate and continue this pattern for more than 2 years without serious sequelae or pregnancy while individually directing both the number of days of continuous pills and the length of the HFI. Copyright 2004 Elsevier Inc.

Controlled surface segregation leads to efficient coke-resistant nickel/platinum bimetallic catalysts for the dry reforming of methane

DOE PAGES

Li, Lidong; Zhou, Lu; Ould-Chikh, Samy; ...

2015-02-03

Surface composition and structure are of vital importance for heterogeneous catalysts, especially for bimetallic catalysts, which often vary as a function of reaction conditions (known as surface segregation). The preparation of bimetallic catalysts with controlled metal surface composition and structure is very challenging. In this study, we synthesize a series of Ni/Pt bimetallic catalysts with controlled metal surface composition and structure using a method derived from surface organometallic chemistry. The evolution of the surface composition and structure of the obtained bimetallic catalysts under simulated reaction conditions is investigated by various techniques, which include CO-probe IR spectroscopy, high-angle annular dark-field scanningmore » transmission electron microscopy, energy-dispersive X-ray spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near-edge structure analysis, XRD, and X-ray photoelectron spectroscopy. It is demonstrated that the structure of the bimetallic catalyst is evolved from Pt monolayer island-modified Ni nanoparticles to core–shell bimetallic nanoparticles composed of a Ni-rich core and a Ni/Pt alloy shell upon thermal treatment. As a result, these catalysts are active for the dry reforming of methane, and their catalytic activities, stabilities, and carbon formation vary with their surface composition and structure.« less

A coronal hole and its identification as the source of a high velocity solar wind stream

NASA Technical Reports Server (NTRS)

Krieger, A. S.; Timothy, A. F.; Roelof, E. C.

1973-01-01

X-ray images of the solar corona showed a magnetically open structure in the low corona which extended from N20W20 to the south pole. Analysis of the measured X-ray intensities shows the density scale heights within the structure to be typically a factor of two less than that in the surrounding large scale magnetically closed regions. The structure is identified as a coronal hole. Wind measurements for the appropriate period were traced back to the sun by the method of instantaneous ideal spirals. A striking agreement was found between the Carrington longitude of the solar source of a recurrent high velocity solar wind stream and the position of the hole.

Structural investigations in helium charged titanium films using grazing incidence XRD and EXAFS spectroscopy

NASA Astrophysics Data System (ADS)

Wan, Chubin; Zhou, Xiaosong; Wang, Yuting; Li, Shina; Ju, Xin; Peng, Shuming

2014-01-01

The crystal structure and local atomic arrangements surrounding Ti atoms were determined for He-charged hexagonal close-packed (hcp) Ti films and measured at glancing angles by synchrotron radiation X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively. The charged specimens were prepared by direct current magnetron sputtering with a He/Ar mixture. He atoms with a relatively medium concentration (He/Ti atomic ratio as high as 17 at.%) were incorporated evenly in the deposited films. XRD results showed the changes in the peak intensities in Ti films with different He contents. EXAFS Fourier Transform analysis indicated that the average Ti-Ti distance decreased significantly, and proved the existence of phase transition.

The Shock and Vibration Digest. Volume 14, Number 11

DTIC Science & Technology

1982-11-01

cooled reactor 1981) ( HTGR ) core under seismic excitation his been developed . N82-18644 The computer program can be used to predict the behavior (In...French) of the HTGR core under seismic excitation. Key Words: Computer programs , Modal analysis, Beams, Undamped structures A computation method is...30) PROGRAMMING c c Dale and Cohen [221 extended the method of McMunn and Plunkett [201 developed a compute- McMunn and Plunkett to continuous systems

Integration of Rotor Aerodynamic Optimization with the Conceptual Design of a Large Civil Tiltrotor

NASA Technical Reports Server (NTRS)

Acree, C. W., Jr.

2010-01-01

Coupling of aeromechanics analysis with vehicle sizing is demonstrated with the CAMRAD II aeromechanics code and NDARC sizing code. The example is optimization of cruise tip speed with rotor/wing interference for the Large Civil Tiltrotor (LCTR2) concept design. Free-wake models were used for both rotors and the wing. This report is part of a NASA effort to develop an integrated analytical capability combining rotorcraft aeromechanics, structures, propulsion, mission analysis, and vehicle sizing. The present paper extends previous efforts by including rotor/wing interference explicitly in the rotor performance optimization and implicitly in the sizing.

Strength Analysis and Process Simulation of Subway Contact Rail Support Bracket of Composite Materials

NASA Astrophysics Data System (ADS)

Fedulov, Boris N.; Safonov, Alexander A.; Sergeichev, Ivan V.; Ushakov, Andrey E.; Klenin, Yuri G.; Makarenko, Irina V.

2016-10-01

An application of composites for construction of subway brackets is a very effective approach to extend their lifetime. However, this approach involves the necessity to prevent process-induced distortions of the bracket due to thermal deformation and chemical shrinkage. At present study, a process simulation has been carried out to support the design of the production tooling. The simulation was based on the application of viscoelastic model for the resin. Simulation results were verified by comparison with results of manufacturing experiments. To optimize the bracket structure the strength analysis was carried out as well.

The perceived benefits of a two-year period of extended specialty training in general practice: the trainees' perspective.

PubMed

Agius, Steven; Lewis, Barry; Kirk, Bob; Hayden, Jacky

2014-01-01

Evidence suggests that, in the UK, the current three-year specialty training period in general practice is inadequate for equipping newly qualified GPs with mastery in all the necessary clinical and generic skills that would allow them to respond with optimum effect to the complexities and uncertainties of the generalist workplace. The North Western Deanery initiated an innovative pilot programme of extended (by 24 months) specialty training in general practice (GPST4-5). Nine ST3 trainees who had just 'graduated' from GPST, holding nMRCGP, were recruited, thereby formally deferring their application for a Certificate of Completion of Training (CCT). The programme was evaluated using established qualitative research techniques. Semi-structured interviews were conducted at fixed points and data were analysed for recurring discourses and themes using a framework thematic analysis. We obtained evidence of the benefits of extended specialty training in encouraging the development of clinical mastery alongside additional specialist skills, generalist and leadership competencies. We also identified the enabling factors for beneficial extended training, including workplace-based training under educational mentorship, combined with a blended learning programme and sustained expert- and peer-support.

The neural correlates of morphological complexity processing: Detecting structure in pseudowords.

PubMed

Schuster, Swetlana; Scharinger, Mathias; Brooks, Colin; Lahiri, Aditi; Hartwigsen, Gesa

2018-06-01

Morphological complexity is a highly debated issue in visual word recognition. Previous neuroimaging studies have shown that speakers are sensitive to degrees of morphological complexity. Two-step derived complex words (bridging through bridge N  > bridge V  > bridging) led to more enhanced activation in the left inferior frontal gyrus than their 1-step derived counterparts (running through run V  > running). However, it remains unclear whether sensitivity to degrees of morphological complexity extends to pseudowords. If this were the case, it would indicate that abstract knowledge of morphological structure is independent of lexicality. We addressed this question by investigating the processing of two sets of pseudowords in German. Both sets contained morphologically viable two-step derived pseudowords differing in the number of derivational steps required to access an existing lexical representation and therefore the degree of structural analysis expected during processing. Using a 2 × 2 factorial design, we found lexicality effects to be distinct from processing signatures relating to structural analysis in pseudowords. Semantically-driven processes such as lexical search showed a more frontal distribution while combinatorial processes related to structural analysis engaged more parietal parts of the network. Specifically, more complex pseudowords showed increased activation in parietal regions (right superior parietal lobe and left precuneus) relative to pseudowords that required less structural analysis to arrive at an existing lexical representation. As the two sets were matched on cohort size and surface form, these results highlight the role of internal levels of morphological structure even in forms that do not possess a lexical representation. © 2018 Wiley Periodicals, Inc.

Application of foam-extend on turbulent fluid-structure interaction

NASA Astrophysics Data System (ADS)

Rege, K.; Hjertager, B. H.

2017-12-01

Turbulent flow around flexible structures is likely to induce structural vibrations which may eventually lead to fatigue failure. In order to assess the fatigue life of these structures, it is necessary to take the action of the flow on the structure into account, but also the influence of the vibrating structure on the fluid flow. This is achieved by performing fluid-structure interaction (FSI) simulations. In this work, we have investigated the capability of a FSI toolkit for the finite volume computational fluid dynamics software foam-extend to simulate turbulence-induced vibrations of a flexible structure. A large-eddy simulation (LES) turbulence model has been implemented to a basic FSI problem of a flexible wall which is placed in a confined, turbulent flow. This problem was simulated for 2.32 seconds. This short simulation required over 200 computation hours, using 20 processor cores. Thereby, it has been shown that the simulation of FSI with LES is possible, but also computationally demanding. In order to make turbulent FSI simulations with foam-extend more applicable, more sophisticated turbulence models and/or faster FSI iteration schemes should be applied.

Structural analysis of glycoproteins: building N-linked glycans with Coot.

PubMed

Emsley, Paul; Crispin, Max

2018-04-01

Coot is a graphics application that is used to build or manipulate macromolecular models; its particular forte is manipulation of the model at the residue level. The model-building tools of Coot have been combined and extended to assist or automate the building of N-linked glycans. The model is built by the addition of monosaccharides, placed by variation of internal coordinates. The subsequent model is refined by real-space refinement, which is stabilized with modified and additional restraints. It is hoped that these enhanced building tools will help to reduce building errors of N-linked glycans and improve our knowledge of the structures of glycoproteins.

Tailoring mode interference in plasmon-induced transparency metamaterials

NASA Astrophysics Data System (ADS)

Liu, Meng; Yang, Quanlong; Xu, Quan; Chen, Xieyu; Tian, Zhen; Gu, Jianqiang; Ouyang, Chunmei; Zhang, Xueqian; Han, Jiaguang; Zhang, Weili

2018-05-01

We proposed an approach to tailor the mode interference effect in plasmon-induced transparency (PIT) metamaterials. Through introducing an extra coupling mode using an asymmetric structure configuration at terahertz (THz) frequencies, the well-known single-transparency-window PIT can be switched to dual-transparency-window PIT. Proof-of-concept subwavelength structures were fabricated and experimentally characterized. The measured results are in good agreement with the simulations, and well support our theoretical analysis. The presented research delivers a novel approach toward developing subwavelength devices with varies functionalities, such as ultra-slow group velocities, longitudinal pulse compression and light storage in the THz regime, which can also be extended to other spectral regimes.

Challenges and opportunities in social neuroscience

PubMed Central

Cacioppo, John T.; Decety, Jean

2010-01-01

Social species are so characterized because they form organizations that extend beyond the individual. The goal of social neuroscience is to investigate the biological mechanisms that underlie these social structures, processes, and behavior and the influences between social and neural structures and processes. Such an endeavor is challenging because it necessitates the integration of multiple levels. Mapping across systems and levels (from genome to social groups and cultures) requires interdisciplinary expertise, comparative studies, innovative methods, and integrative conceptual analysis. Examples of how social neuroscience is contributing to our understanding of the functions of the brain and nervous system are described, and societal implications of social neuroscience are considered. PMID:21251011

Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis

NASA Astrophysics Data System (ADS)

Stevanović, Vladan; Trottier, Ryan; Musgrave, Charles; Therrien, Félix; Holder, Aaron; Graf, Peter

2018-03-01

To extend materials design and discovery into the space of metastable polymorphs, rapid and reliable assessment of transformation kinetics to lower energy structures is essential. Herein we focus on diffusionless polymorphic transformations and investigate routes to assess their kinetics using solely crystallographic arguments. As part of this investigation we developed a general algorithm to map crystal structures onto each other, and ascertain the low-energy (fast-kinetics) transformation pathways between them. Pathways with minimal dissociation of chemical bonds, along which the number of bonds (in ionic systems the first-shell coordination) does not decrease below that in the end structures, are shown to always be the fast-kinetics pathways. These findings enable the rapid assessment of the kinetics of polymorphic transformation and the identification of long-lived metastable structures. The utility is demonstrated on a number of transformations including those between high-pressure SnO2 phases, which lack a detailed atomic-level understanding.

Essentialist beliefs about homosexuality: structure and implications for prejudice.

PubMed

Haslam, Nick; Levy, Sheri R

2006-04-01

The structure of beliefs about the nature of homosexuality, and their association with antigay attitudes, were examined in three studies (Ns = 309, 487, and 216). Contrary to previous research, three dimensions were obtained: the belief that homosexuality is biologically based, immutable, and fixed early in life; the belief that it is cross-culturally and historically universal; and the belief that it constitutes a discrete, entitative type with defining features. Study 1 supported a three-factor structure for essentialist beliefs about male homosexuality. Study 2 replicated this structure with confirmatory factor analysis, extended it to beliefs about lesbianism, showed that all three dimensions predicted antigay attitudes, and demonstrated that essentialist beliefs mediate associations between prejudice and gender, ethnicity, and religiosity. Study 3 replicated the belief structure and mediation effects in a community sample and showed that essentialist beliefs predict antigay prejudice independently of right-wing authoritarianism, social dominance orientation, and political conservatism.

Heterointerface engineering of broken-gap InAs/GaSb multilayer structures.

PubMed

Liu, Jheng-Sin; Zhu, Yan; Goley, Patrick S; Hudait, Mantu K

2015-02-04

Broken-gap InAs/GaSb strain balanced multilayer structures were grown by molecular beam epitaxy (MBE), and their structural, morphological, and band alignment properties were analyzed. Precise shutter sequence during the MBE growth process, enable to achieve the strain balanced structure. Cross-sectional transmission electron microscopy exhibited sharp heterointerfaces, and the lattice line extended from the top GaSb layer to the bottom InAs layer. X-ray analysis further confirmed a strain balanced InAs/GaSb multilayer structure. A smooth surface morphology with surface roughness of ∼0.5 nm was demonstrated. The effective barrier height -0.15 eV at the GaSb/InAs heterointerface was determined by X-ray photoelectron spectroscopy, and it was further corroborated by simulation. These results are important to demonstrate desirable characteristics of mixed As/Sb material systems for high-performance and low-power tunnel field-effect transistor applications.

Extended orientational correlation study for molecular liquids containing distorted tetrahedral molecules: Application to methylene halides

NASA Astrophysics Data System (ADS)

Pothoczki, Szilvia; Temleitner, László; Pusztai, László

2010-04-01

The method of Rey [Rey, J. Chem. Phys. 126, 164506 (2007)] for describing how molecules orient toward each other in systems with perfect tetrahedral molecules is extended to the case of distorted tetrahedral molecules of c2v symmetry by means of introducing 28 subgroups. Additionally, the original analysis developed for perfect tetrahedral molecules, based on six groups, is adapted for molecules with imperfect tetrahedral shape. Deriving orientational correlation functions have been complemented with detailed analyses of dipole-dipole correlations. This way, (up to now) the most complete structure determination can be carried out for such molecular systems. In the present work, these calculations have been applied for particle configurations resulting from reverse Monte Carlo computer modeling. These particle arrangements are fully consistent with structure factors from neutron and x-ray diffraction measurements. Here we present a complex structural study for methylene halide (chloride, bromide, and iodide) molecular liquids, as possibly the best representative examples. It has been found that the most frequent orientations of molecules are of the 2:2 type over the entire distance range in these liquids. Focusing on the short range orientation, neighboring molecules turn toward each other with there "H,Y"-"H,Y" (Y: Cl, Br, I) edges, apart from CH2Cl2 where the H,H-H,Cl arrangement is the most frequent. In general, the structure of methylene chloride appears to be different from the structure of the other two liquids.

Rehabilitation for patients with rheumatic diseases: Patient experiences of a structured goal planning and tailored follow-up programme

PubMed Central

Dager, Turid Nygaard; Kjeken, Ingvild; Berdal, Gunnhild; Sand-Svartrud, Anne-Lene; Bø, Ingvild; Dingsør, Anne; Eppeland, Siv Grødal; Hagfors, Jon; Hamnes, Bente; Nielsen, Merete; Slungaard, Bente; Wigers, Sigrid Hørven; Hauge, Mona-Iren

2017-01-01

Objective: To explore the significance of the content of rehabilitation in terms of achieving a personal outcome, and to understand the significance of tailored follow-up interventions for individual efforts to prolong health behaviour change after rehabilitation. Design: Semi-structured interviews with patients who had received an extended rehabilitation programme. All interviews were transcribed verbatim. A thematic analysis was applied. Subjects: A purposeful sample of 18 patients with rheumatic diseases who had attended specialized multidisciplinary rehabilitation with an extended programme consisting of a self-help booklet, structured goal-setting talks and tailored follow-up calls based on motivational interviewing. Results: Four overarching and interrelated themes were identified. Experienced Person-centred interventions represented a basis for the patients’ motivation and personal outcomes. Confident self-management describes a new confident approach to exercise and illness management after rehabilitation with person-centred interventions. For many, this included reaching a different mindset, a change of illness perception. Continuity of the personal outcomes describes the importance of follow-up telephone calls to maintain the focus on goals and continued efforts. Building on established relationships and practising person-centred communication were essential. Conclusion: Tailoring of communication and rehabilitation interventions may be a premise for enhancing health behaviour, including a beneficial illness perception. Structured goal setting and follow-up telephone calls using motivational interviewing enhance motivation and may contribute to prolonged goal attainment. PMID:29163943

Extended hierarchical solvent perturbations from curved surfaces of mesoporous silica particles in a deep eutectic solvent.

PubMed

Hammons, Joshua A; Zhang, Fan; Ilavsky, Jan

2018-06-15

Many applications of deep eutectic solvents (DES) rely on exploitation of their unique yet complex liquid structures. Due to the ionic nature of the DES components, their diffuse structures are perturbed in the presence of a charged surface. We hypothesize that it is possible to perturb the bulk DES structure far (>100 nm) from a curved, charged surface with mesoscopic dimensions. We performed in situ, synchrotron-based ultra-small angle X-ray scattering (USAXS) experiments to study the solvent distribution near the surface of charged mesoporous silica particles (MPS) (≈0.5 µm in diameter) suspended in both water and a common type of DES (1:2 choline Cl-:ethylene glycol). A careful USAXS analysis reveals that the perturbation of electron density distribution within the DES extends ≈1 μm beyond the particle surface, and that this perturbation can be manipulated by the addition of salt ions (AgCl). The concentration of the pore-filling fluid is greatly reduced in the DES. Notably, we extracted the real-space structures of these fluctuations from the USAXS data using a simulated annealing approach that does not require a priori knowledge about the scattering form factor, and can be generalized to a wide range of complex small-angle scattering problems. Copyright © 2018 Elsevier Inc. All rights reserved.

Effective virtual screening protocol for CYP2C9 ligands using a screening site constructed from flurbiprofen and S-warfarin pockets

NASA Astrophysics Data System (ADS)

Polgár, Tímea; Menyhárd, Dóra K.; Keserű, György M.

2007-09-01

An effective virtual screening protocol was developed against an extended active site of CYP2C9, which was derived from X-ray structures complexed with flubiprofen and S-warfarin. Virtual screening has been effectively supported by our structure-based pharmacophore model. Importance of hot residues identified by mutation data and structural analysis was first estimated in an enrichment study. Key role of Arg108 and Phe114 in ligand binding was also underlined. Our screening protocol successfully identified 76% of known CYP2C9 ligands in the top 1% of the ranked database resulting 76-fold enrichment relative to random situation. Relevance of the protocol was further confirmed in selectivity studies, when 89% of CYP2C9 ligands were retrieved from a mixture of CYP2C9 and CYP2C8 ligands, while only 22% of CYP2C8 ligands were found applying the structure-based pharmacophore constraints. Moderate discrimination of CYP2C9 ligands from CYP2C18 and CYP2C19 ligands could also be achieved extending the application domain of our virtual screening protocol for the entire CYP2C family. Our findings further demonstrate the existence of an active site comprising of at least two binding pockets and strengthens the need of involvement of protein flexibility in virtual screening.

Structural evidence for the sorption of Ni(II) atoms on the edges of montmorillonite clay minerals: a polarized X-ray absorption fine structure study

NASA Astrophysics Data System (ADS)

Dähn, Rainer; Scheidegger, André M.; Manceau, Alain; Schlegel, Michel L.; Baeyens, Bart; Bradbury, Michael H.; Chateigner, Daniel

The nature of surface complexes formed on Ni uptake onto montmorillonite (a dioctahedral smectite) has been investigated over an extended time period by polarized extended X-ray absorption fine structure (P-EXAFS) spectroscopy. Self-supporting films of Ni-sorbed montmorillonite were prepared by contacting Ni and montmorillonite at pH 7.2, high ionic strength (0.3 M NaClO 4), and low Ni concentration ([Ni] initial = 19.9 μM) for 14- and 360-d reaction time. The resulting Ni concentration on the clay varied from 4 to 7 μmol/g. Quantitative texture analysis indicates that the montmorillonite particles were well orientated with respect to the plane of the film. The full width at half maximum of the orientation distribution of the c* axes of individual clay platelets about the normal to the film plane was 44.3° (14-d reaction time) and 47.1° (360-d reaction time). These values were used to correct the coordination numbers determined by P-EXAFS for texture effects. Ni K-edge P-EXAFS spectra were recorded at angles between the incident beam and the film normal equal to 10, 35, 55, and 80°. Spectral analysis led to the identification of three nearest cationic subshells containing 2.0 ± 0.5 Al at 3.0 Å and 2.0 ± 0.5 Si at 3.12 Å and 4.0 ± 0.5 Si at 3.26 Å. These distances are characteristic of edge-sharing linkages between Al and Ni octahedra and of corner-sharing linkages between Ni octahedra and Si tetrahedra, as in clay structures. The angular dependence of the Ni-Al and Ni-Si contributions indicates that Ni-Al pairs are oriented parallel to the film plane, whereas Ni-Si pairs are not. The study reveals the formation of Ni inner-sphere mononuclear surface complexes located at the edges of montmorillonite platelets and thus that heavy metals binding to edge sites is a possible sorption mechanism for dioctahedral smectites. Data analysis further suggests that either the number of neighboring Al atoms slightly increases from 1.6 to 2 or that the structural order of the observed surface complexes increases from 0.01 Å 2 to 0.005 Å 2 with increasing reaction time. On the basis of the low Ni-Al coordination numbers, it appears that over an extended reaction time period of 1 yr the diffusion of Ni atoms in the octahedral layer is not the major uptake mechanism of Ni onto montmorillonite.

Airfoil for a gas turbine engine

DOEpatents

Liang, George [Palm City, FL

2011-05-24

An airfoil is provided for a turbine of a gas turbine engine. The airfoil comprises: an outer structure comprising a first wall including a leading edge, a trailing edge, a pressure side, and a suction side; an inner structure comprising a second wall spaced from the first wall and at least one intermediate wall; and structure extending between the first and second walls so as to define first and second gaps between the first and second walls. The second wall and the at least one intermediate wall define at least one pressure side supply cavity and at least one suction side supply cavity. The second wall may include at least one first opening near the leading edge of the first wall. The first opening may extend from the at least one pressure side supply cavity to the first gap. The second wall may further comprise at least one second opening near the trailing edge of the outer structure. The second opening may extend from the at least one suction side supply cavity to the second gap. The first wall may comprise at least one first exit opening extending from the first gap through the pressure side of the first wall and at least one second exit opening extending from the second gap through the suction side of the second wall.

A New Perspective on Galaxy Evolution from the Low Density Outskirts of Galaxies

NASA Astrophysics Data System (ADS)

Emery Watkins, Aaron

2017-01-01

In order to investigate the nature of galaxy outskirts, we carried out a deep imaging campaign of several nearby ($D\\lesssim$10Mpc) galaxies, across a range of environments. We found that most of the galaxies we imaged show red and non-star-forming outer disks, implying evolved stellar populations. Such populations in outer disks are expected as the result of radial migration, yet through Fourier analysis we found no evidence of extended spiral structure in these galaxies. Without star formation or outer spiral structure, it is difficult to determine how these outer disks formed. To investigate the effects of interactions on outer disks, we also observed the Leo I Group; however, while group environments are expected to promote frequent interactions, we found only three extremely faint tidal streams, implying a calm interaction history. As Leo I is fairly low density, this implies that loose groups are ineffective at producing intragroup light (IGL). In the famous interacting system M51, we found that its extended tidal features show similarly red colors as the typical outer disks we observed, implying that M51 had a similar outer disk prior to the interaction, and that the interaction induced no extended star formation, including in the system's HI tail. Therefore, to investigate the nature of star formation in low-density environments, we carried out deep narrow-band H$\\alpha$ imaging of M101 and M51.

Extended Hansen solubility approach: naphthalene in individual solvents.

PubMed

Martin, A; Wu, P L; Adjei, A; Beerbower, A; Prausnitz, J M

1981-11-01

A multiple regression method using Hansen partial solubility parameters, delta D, delta p, and delta H, was used to reproduce the solubilities of naphthalene in pure polar and nonpolar solvents and to predict its solubility in untested solvents. The method, called the extended Hansen approach, was compared with the extended Hildebrand solubility approach and the universal-functional-group-activity-coefficient (UNIFAC) method. The Hildebrand regular solution theory was also used to calculate naphthalene solubility. Naphthalene, an aromatic molecule having no side chains or functional groups, is "well-behaved', i.e., its solubility in active solvents known to interact with drug molecules is fairly regular. Because of its simplicity, naphthalene is a suitable solute with which to initiate the difficult study of solubility phenomena. The three methods tested (Hildebrand regular solution theory was introduced only for comparison of solubilities in regular solution) yielded similar results, reproducing naphthalene solubilities within approximately 30% of literature values. In some cases, however, the error was considerably greater. The UNIFAC calculation is superior in that it requires only the solute's heat of fusion, the melting point, and a knowledge of chemical structures of solute and solvent. The extended Hansen and extended Hildebrand methods need experimental solubility data on which to carry out regression analysis. The extended Hansen approach was the method of second choice because of its adaptability to solutes and solvents from various classes. Sample calculations are included to illustrate methods of predicting solubilities in untested solvents at various temperatures. The UNIFAC method was successful in this regard.

Three-dimensional baroclinic instability of a Hadley cell for small Richardson number

NASA Technical Reports Server (NTRS)

Antar, B. N.; Fowlis, W. W.

1983-01-01

For the case of a baroclinic flow whose Richardson number, Ri, is of order unity, a three-dimensional linear stability analysis is conducted on the basis of a model for a thin, horizontal, rotating fluid layer which is subjected to horizontal and vertical temperature gradients. The Hadley cell basic state and stability analysis are both based on the Navier-Stokes and energy equations, and perturbations possessing zonal, meridional, and vertical structures are considered. An attempt is made to extend the previous theoretical work on three-dimensional baroclinic instability for small Ri to a more realistic model involving the Prandtl and Ekman numbers, as well as to finite growth rates and a wider range of the zonal wavenumber. In general, it is found that the symmetric modes of maximum growth are not purely symmetric, but have a weak zonal structure.

Recognition of Simple 3D Geometrical Objects under Partial Occlusion

NASA Astrophysics Data System (ADS)

Barchunova, Alexandra; Sommer, Gerald

In this paper we present a novel procedure for contour-based recognition of partially occluded three-dimensional objects. In our approach we use images of real and rendered objects whose contours have been deformed by a restricted change of the viewpoint. The preparatory part consists of contour extraction, preprocessing, local structure analysis and feature extraction. The main part deals with an extended construction and functionality of the classifier ensemble Adaptive Occlusion Classifier (AOC). It relies on a hierarchical fragmenting algorithm to perform a local structure analysis which is essential when dealing with occlusions. In the experimental part of this paper we present classification results for five classes of simple geometrical figures: prism, cylinder, half cylinder, a cube, and a bridge. We compare classification results for three classical feature extractors: Fourier descriptors, pseudo Zernike and Zernike moments.

Modeling of rolling element bearing mechanics. Theoretical manual

NASA Technical Reports Server (NTRS)

Merchant, David H.; Greenhill, Lyn M.

1994-01-01

This report documents the theoretical basis for the Rolling Element Bearing Analysis System (REBANS) analysis code which determines the quasistatic response to external loads or displacement of three types of high-speed rolling element bearings: angular contact ball bearings; duplex angular contact ball bearings; and cylindrical roller bearings. The model includes the effects of bearing ring and support structure flexibility. It is comprised of two main programs: the Preprocessor for Bearing Analysis (PREBAN) which creates the input files for the main analysis program; and Flexibility Enhanced Rolling Element Bearing Analysis (FEREBA), the main analysis program. A companion report addresses the input instructions for and features of the computer codes. REBANS extends the capabilities of the SHABERTH (Shaft and Bearing Thermal Analysis) code to include race and housing flexibility, including such effects as dead band and preload springs.

Structured functional additive regression in reproducing kernel Hilbert spaces

PubMed Central

Zhu, Hongxiao; Yao, Fang; Zhang, Hao Helen

2013-01-01

Summary Functional additive models (FAMs) provide a flexible yet simple framework for regressions involving functional predictors. The utilization of data-driven basis in an additive rather than linear structure naturally extends the classical functional linear model. However, the critical issue of selecting nonlinear additive components has been less studied. In this work, we propose a new regularization framework for the structure estimation in the context of Reproducing Kernel Hilbert Spaces. The proposed approach takes advantage of the functional principal components which greatly facilitates the implementation and the theoretical analysis. The selection and estimation are achieved by penalized least squares using a penalty which encourages the sparse structure of the additive components. Theoretical properties such as the rate of convergence are investigated. The empirical performance is demonstrated through simulation studies and a real data application. PMID:25013362

Modelling the atomic structure of Al92U8 metallic glass.

PubMed

Michalik, S; Bednarcik, J; Jóvári, P; Honkimäki, V; Webb, A; Franz, H; Fazakas, E; Varga, L K

2010-10-13

The local atomic structure of the glassy Al(92)U(8) alloy was modelled by the reverse Monte Carlo (RMC) method, fitting x-ray diffraction (XRD) and extended x-ray absorption fine structure (EXAFS) signals. The final structural model was analysed by means of partial pair correlation functions, coordination number distributions and Voronoi tessellation. In our study we found that the most probable atomic separations between Al-Al and U-Al pairs in the glassy Al(92)U(8) alloy are 2.7 Å and 3.1 Å with coordination numbers 11.7 and 17.1, respectively. The Voronoi analysis did not support evidence of the existence of well-defined building blocks directly embedded in the amorphous matrix. The dense-random-packing model seems to be adequate for describing the connection between solvent and solute atoms.

Interactive 3D-PDF Presentations for the Simulation and Quantification of Extended Endoscopic Endonasal Surgical Approaches.

PubMed

Mavar-Haramija, Marija; Prats-Galino, Alberto; Méndez, Juan A Juanes; Puigdelívoll-Sánchez, Anna; de Notaris, Matteo

2015-10-01

A three-dimensional (3D) model of the skull base was reconstructed from the pre- and post-dissection head CT images and embedded in a Portable Document Format (PDF) file, which can be opened by freely available software and used offline. The CT images were segmented using a specific 3D software platform for biomedical data, and the resulting 3D geometrical models of anatomical structures were used for dual purpose: to simulate the extended endoscopic endonasal transsphenoidal approaches and to perform the quantitative analysis of the procedures. The analysis consisted of bone removal quantification and the calculation of quantitative parameters (surgical freedom and exposure area) of each procedure. The results are presented in three PDF documents containing JavaScript-based functions. The 3D-PDF files include reconstructions of the nasal structures (nasal septum, vomer, middle turbinates), the bony structures of the anterior skull base and maxillofacial region and partial reconstructions of the optic nerve, the hypoglossal and vidian canals and the internal carotid arteries. Alongside the anatomical model, axial, sagittal and coronal CT images are shown. Interactive 3D presentations were created to explain the surgery and the associated quantification methods step-by-step. The resulting 3D-PDF files allow the user to interact with the model through easily available software, free of charge and in an intuitive manner. The files are available for offline use on a personal computer and no previous specialized knowledge in informatics is required. The documents can be downloaded at http://hdl.handle.net/2445/55224 .

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

NASA Technical Reports Server (NTRS)

Schmidt, R. J.; Dodds, R. H., Jr.

1985-01-01

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

Structural texture similarity metrics for image analysis and retrieval.

PubMed

Zujovic, Jana; Pappas, Thrasyvoulos N; Neuhoff, David L

2013-07-01

We develop new metrics for texture similarity that accounts for human visual perception and the stochastic nature of textures. The metrics rely entirely on local image statistics and allow substantial point-by-point deviations between textures that according to human judgment are essentially identical. The proposed metrics extend the ideas of structural similarity and are guided by research in texture analysis-synthesis. They are implemented using a steerable filter decomposition and incorporate a concise set of subband statistics, computed globally or in sliding windows. We conduct systematic tests to investigate metric performance in the context of "known-item search," the retrieval of textures that are "identical" to the query texture. This eliminates the need for cumbersome subjective tests, thus enabling comparisons with human performance on a large database. Our experimental results indicate that the proposed metrics outperform peak signal-to-noise ratio (PSNR), structural similarity metric (SSIM) and its variations, as well as state-of-the-art texture classification metrics, using standard statistical measures.

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

PubMed Central

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

2016-01-01

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis. PMID:27255415

Human subcortical brain asymmetries in 15,847 people worldwide reveal effects of age and sex.

PubMed

Guadalupe, Tulio; Mathias, Samuel R; vanErp, Theo G M; Whelan, Christopher D; Zwiers, Marcel P; Abe, Yoshinari; Abramovic, Lucija; Agartz, Ingrid; Andreassen, Ole A; Arias-Vásquez, Alejandro; Aribisala, Benjamin S; Armstrong, Nicola J; Arolt, Volker; Artiges, Eric; Ayesa-Arriola, Rosa; Baboyan, Vatche G; Banaschewski, Tobias; Barker, Gareth; Bastin, Mark E; Baune, Bernhard T; Blangero, John; Bokde, Arun L W; Boedhoe, Premika S W; Bose, Anushree; Brem, Silvia; Brodaty, Henry; Bromberg, Uli; Brooks, Samantha; Büchel, Christian; Buitelaar, Jan; Calhoun, Vince D; Cannon, Dara M; Cattrell, Anna; Cheng, Yuqi; Conrod, Patricia J; Conzelmann, Annette; Corvin, Aiden; Crespo-Facorro, Benedicto; Crivello, Fabrice; Dannlowski, Udo; de Zubicaray, Greig I; de Zwarte, Sonja M C; Deary, Ian J; Desrivières, Sylvane; Doan, Nhat Trung; Donohoe, Gary; Dørum, Erlend S; Ehrlich, Stefan; Espeseth, Thomas; Fernández, Guillén; Flor, Herta; Fouche, Jean-Paul; Frouin, Vincent; Fukunaga, Masaki; Gallinat, Jürgen; Garavan, Hugh; Gill, Michael; Suarez, Andrea Gonzalez; Gowland, Penny; Grabe, Hans J; Grotegerd, Dominik; Gruber, Oliver; Hagenaars, Saskia; Hashimoto, Ryota; Hauser, Tobias U; Heinz, Andreas; Hibar, Derrek P; Hoekstra, Pieter J; Hoogman, Martine; Howells, Fleur M; Hu, Hao; Hulshoff Pol, Hilleke E; Huyser, Chaim; Ittermann, Bernd; Jahanshad, Neda; Jönsson, Erik G; Jurk, Sarah; Kahn, Rene S; Kelly, Sinead; Kraemer, Bernd; Kugel, Harald; Kwon, Jun Soo; Lemaitre, Herve; Lesch, Klaus-Peter; Lochner, Christine; Luciano, Michelle; Marquand, Andre F; Martin, Nicholas G; Martínez-Zalacaín, Ignacio; Martinot, Jean-Luc; Mataix-Cols, David; Mather, Karen; McDonald, Colm; McMahon, Katie L; Medland, Sarah E; Menchón, José M; Morris, Derek W; Mothersill, Omar; Maniega, Susana Munoz; Mwangi, Benson; Nakamae, Takashi; Nakao, Tomohiro; Narayanaswaamy, Janardhanan C; Nees, Frauke; Nordvik, Jan E; Onnink, A Marten H; Opel, Nils; Ophoff, Roel; Paillère Martinot, Marie-Laure; Papadopoulos Orfanos, Dimitri; Pauli, Paul; Paus, Tomáš; Poustka, Luise; Reddy, Janardhan Yc; Renteria, Miguel E; Roiz-Santiáñez, Roberto; Roos, Annerine; Royle, Natalie A; Sachdev, Perminder; Sánchez-Juan, Pascual; Schmaal, Lianne; Schumann, Gunter; Shumskaya, Elena; Smolka, Michael N; Soares, Jair C; Soriano-Mas, Carles; Stein, Dan J; Strike, Lachlan T; Toro, Roberto; Turner, Jessica A; Tzourio-Mazoyer, Nathalie; Uhlmann, Anne; Hernández, Maria Valdés; van den Heuvel, Odile A; van der Meer, Dennis; van Haren, Neeltje E M; Veltman, Dick J; Venkatasubramanian, Ganesan; Vetter, Nora C; Vuletic, Daniella; Walitza, Susanne; Walter, Henrik; Walton, Esther; Wang, Zhen; Wardlaw, Joanna; Wen, Wei; Westlye, Lars T; Whelan, Robert; Wittfeld, Katharina; Wolfers, Thomas; Wright, Margaret J; Xu, Jian; Xu, Xiufeng; Yun, Je-Yeon; Zhao, JingJing; Franke, Barbara; Thompson, Paul M; Glahn, David C; Mazoyer, Bernard; Fisher, Simon E; Francks, Clyde

2017-10-01

The two hemispheres of the human brain differ functionally and structurally. Despite over a century of research, the extent to which brain asymmetry is influenced by sex, handedness, age, and genetic factors is still controversial. Here we present the largest ever analysis of subcortical brain asymmetries, in a harmonized multi-site study using meta-analysis methods. Volumetric asymmetry of seven subcortical structures was assessed in 15,847 MRI scans from 52 datasets worldwide. There were sex differences in the asymmetry of the globus pallidus and putamen. Heritability estimates, derived from 1170 subjects belonging to 71 extended pedigrees, revealed that additive genetic factors influenced the asymmetry of these two structures and that of the hippocampus and thalamus. Handedness had no detectable effect on subcortical asymmetries, even in this unprecedented sample size, but the asymmetry of the putamen varied with age. Genetic drivers of asymmetry in the hippocampus, thalamus and basal ganglia may affect variability in human cognition, including susceptibility to psychiatric disorders.

Principal Effects of Axial Load on Moment-Distribution Analysis of Rigid Structures

NASA Technical Reports Server (NTRS)

James, Benjamin Wylie

1935-01-01

This thesis presents the method of moment distribution modified to include the effect of axial load upon the bending moments. This modification makes it possible to analyze accurately complex structures, such as rigid fuselage trusses, that heretofore had to be analyzed by approximate formulas and empirical rules. The method is simple enough to be practicable even for complex structures, and it gives a means of analysis for continuous beams that is simpler than the extended three-moment equation now in common use. When the effect of axial load is included, it is found that the basic principles of moment distribution remain unchanged, the only difference being that the factors used, instead of being constants for a given member, become functions of the axial load. Formulas have been developed for these factors, and curves plotted so that their applications requires no more work than moment distribution without axial load. Simple problems have been included to illustrate the use of the curves.

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

DOE PAGES

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; ...

2016-06-03

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocationmore » cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.« less

Characterization of the Acoustic Radiation Properties of Laminated and Sandwich Composite Panels in Thermal Environment

NASA Astrophysics Data System (ADS)

Sharma, Nitin; Ranjan Mahapatra, Trupti; Panda, Subrata Kumar; Sahu, Pruthwiraj

2018-03-01

In this article, the acoustic radiation characteristics of laminated and sandwich composite spherical panels subjected to harmonic point excitation under thermal environment are investigated. The finite element (FE) simulation model of the vibrating panel structure is developed in ANSYS using ANSYS parametric design language (APDL) code. Initially, the critical buckling temperatures of the considered structures are obtained and the temperature loads are assorted accordingly. Then, the modal analysis of the thermally stressed panels is performed and the thermo-elastic free vibration responses so obtained are validated with the benchmark solutions. Subsequently, an indirect boundary element (BE) method is utilized to conduct a coupled FE-BE analysis to compute the sound radiation properties of panel structure. The agreement of the present sound power responses with the existing results available in the published literature establishes the validity of the proposed scheme. Finally, the current standardised scheme is extended to solve several numerical examples to bring out the influence of various parameters on the thermo-acoustic characteristics of laminated composite panels.

How mutation alters the evolutionary dynamics of cooperation on networks

NASA Astrophysics Data System (ADS)

Ichinose, Genki; Satotani, Yoshiki; Sayama, Hiroki

2018-05-01

Cooperation is ubiquitous at every level of living organisms. It is known that spatial (network) structure is a viable mechanism for cooperation to evolve. A recently proposed numerical metric, average gradient of selection (AGoS), a useful tool for interpreting and visualizing evolutionary dynamics on networks, allows simulation results to be visualized on a one-dimensional phase space. However, stochastic mutation of strategies was not considered in the analysis of AGoS. Here we extend AGoS so that it can analyze the evolution of cooperation where mutation may alter strategies of individuals on networks. We show that our extended AGoS correctly visualizes the final states of cooperation with mutation in the individual-based simulations. Our analyses revealed that mutation always has a negative effect on the evolution of cooperation regardless of the payoff functions, fraction of cooperators, and network structures. Moreover, we found that scale-free networks are the most vulnerable to mutation and thus the dynamics of cooperation are altered from bistability to coexistence on those networks, undergoing an imperfect pitchfork bifurcation.

Extended Stokes shift in fluorescent proteins: chromophore-protein interactions in a near-infrared TagRFP675 variant.

PubMed

Piatkevich, Kiryl D; Malashkevich, Vladimir N; Morozova, Kateryna S; Nemkovich, Nicolai A; Almo, Steven C; Verkhusha, Vladislav V

2013-01-01

Most GFP-like fluorescent proteins exhibit small Stokes shifts (10-45 nm) due to rigidity of the chromophore environment that excludes non-fluorescent relaxation to a ground state. An unusual near-infrared derivative of the red fluorescent protein mKate, named TagRFP675, exhibits the Stokes shift, which is 30 nm extended comparing to that of the parental protein. In physiological conditions, TagRFP675 absorbs at 598 nm and emits at 675 nm that makes it the most red-shifted protein of the GFP-like protein family. In addition, its emission maximum strongly depends on the excitation wavelength. Structures of TagRFP675 revealed the common DsRed-like chromophore, which, however, interacts with the protein matrix via an extensive network of hydrogen bonds capable of large flexibility. Based on the spectroscopic, biochemical, and structural analysis we suggest that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the TagRFP675 spectral properties.

Multipath analysis diffraction calculations

NASA Technical Reports Server (NTRS)

Statham, Richard B.

1996-01-01

This report describes extensions of the Kirchhoff diffraction equation to higher edge terms and discusses their suitability to model diffraction multipath effects of a small satellite structure. When receiving signals, at a satellite, from the Global Positioning System (GPS), reflected signals from the satellite structure result in multipath errors in the determination of the satellite position. Multipath error can be caused by diffraction of the reflected signals and a method of calculating this diffraction is required when using a facet model of the satellite. Several aspects of the Kirchhoff equation are discussed and numerical examples, in the near and far fields, are shown. The vector form of the extended Kirchhoff equation, by adding the Larmor-Tedone and Kottler edge terms, is given as a mathematical model in an appendix. The Kirchhoff equation was investigated as being easily implemented and of good accuracy in the basic form, especially in phase determination. The basic Kirchhoff can be extended for higher accuracy if desired. A brief discussion of the method of moments and the geometric theory of diffraction is included, but seems to offer no clear advantage in implementation over the Kirchhoff for facet models.

Gravitational Lenses and the Structure and Evolution of Galaxies

NASA Technical Reports Server (NTRS)

Oliversen, Ronald J. (Technical Monitor); Kochanek, Christopher

2004-01-01

During the first year of the project we completed five papers, each of which represents a new direction in the theory and interpretation of gravitational lenses. In the first paper, The Importance of Einstein Rings, we developed the first theory for the formation and structure of the Einstein rings formed by lensing extended sources like the host galaxies of quasar and radio sources. In the second paper, Cusped Mass Models Of Gravitational Lenses, we introduced a new class of lens models. In the third paper, Global Probes of the Impact of Baryons on Dark Matter Halos, we made the first globally consistent models for the separation distribution of gravitational lenses including both galaxy and cluster lenses. The last two papers explore the properties of two lenses in detail. During the second year we have focused more closely on the relationship of baryons and dark matter. In the third year we have been further examining the relationship between baryons and dark matter. In the present year we extended our statistical analysis of lens mass distributions using a self-similar model for the halo mass distribution as compared to the luminous galaxy.

Asymmetric projections of the arcuate fasciculus to the temporal cortex underlie lateralized language function in the human brain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takaya, Shigetoshi; Kuperberg, Gina R.; Tufts Univ., Medford, MA

The arcuate fasciculus (AF) in the human brain has asymmetric structural properties. However, the topographic organization of the asymmetric AF projections to the cortex and its relevance to cortical function remain unclear. Here we mapped the posterior projections of the human AF in the inferior parietal and lateral temporal cortices using surface-based structural connectivity analysis based on diffusion MRI and investigated their hemispheric differences. We then performed the cross-modal comparison with functional connectivity based on resting-state functional MRI (fMRI) and task-related cortical activation based on fMRI using a semantic classification task of single words. Structural connectivity analysis showed that themore » left AF connecting to Broca's area predominantly projected in the lateral temporal cortex extending from the posterior superior temporal gyrus to the mid part of the superior temporal sulcus and the middle temporal gyrus, whereas the right AF connecting to the right homolog of Broca's area predominantly projected to the inferior parietal cortex extending from the mid part of the supramarginal gyrus to the anterior part of the angular gyrus. The left-lateralized projection regions of the AF in the left temporal cortex had asymmetric functional connectivity with Broca's area, indicating structure-function concordance through the AF. During the language task, left-lateralized cortical activation was observed. Among them, the brain responses in the temporal cortex and Broca's area that were connected through the left-lateralized AF pathway were specifically correlated across subjects. These results suggest that the human left AF, which structurally and functionally connects the mid temporal cortex and Broca's area in asymmetrical fashion, coordinates the cortical activity in these remote cortices during a semantic decision task. As a result, the unique feature of the left AF is discussed in the context of the human capacity for language.« less

Asymmetric projections of the arcuate fasciculus to the temporal cortex underlie lateralized language function in the human brain

DOE PAGES

Takaya, Shigetoshi; Kuperberg, Gina R.; Tufts Univ., Medford, MA; ...

2015-09-15

The arcuate fasciculus (AF) in the human brain has asymmetric structural properties. However, the topographic organization of the asymmetric AF projections to the cortex and its relevance to cortical function remain unclear. Here we mapped the posterior projections of the human AF in the inferior parietal and lateral temporal cortices using surface-based structural connectivity analysis based on diffusion MRI and investigated their hemispheric differences. We then performed the cross-modal comparison with functional connectivity based on resting-state functional MRI (fMRI) and task-related cortical activation based on fMRI using a semantic classification task of single words. Structural connectivity analysis showed that themore » left AF connecting to Broca's area predominantly projected in the lateral temporal cortex extending from the posterior superior temporal gyrus to the mid part of the superior temporal sulcus and the middle temporal gyrus, whereas the right AF connecting to the right homolog of Broca's area predominantly projected to the inferior parietal cortex extending from the mid part of the supramarginal gyrus to the anterior part of the angular gyrus. The left-lateralized projection regions of the AF in the left temporal cortex had asymmetric functional connectivity with Broca's area, indicating structure-function concordance through the AF. During the language task, left-lateralized cortical activation was observed. Among them, the brain responses in the temporal cortex and Broca's area that were connected through the left-lateralized AF pathway were specifically correlated across subjects. These results suggest that the human left AF, which structurally and functionally connects the mid temporal cortex and Broca's area in asymmetrical fashion, coordinates the cortical activity in these remote cortices during a semantic decision task. As a result, the unique feature of the left AF is discussed in the context of the human capacity for language.« less

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope.

PubMed

Hieckmann, Ellen; Nacke, Markus; Allardt, Matthias; Bodrov, Yury; Chekhonin, Paul; Skrotzki, Werner; Weber, Jörg

2016-05-28

Extended defects such as dislocations and grain boundaries have a strong influence on the performance of microelectronic devices and on other applications of semiconductor materials. However, it is still under debate how the defect structure determines the band structure, and therefore, the recombination behavior of electron-hole pairs responsible for the optical and electrical properties of the extended defects. The present paper is a survey of procedures for the spatially resolved investigation of structural and of physical properties of extended defects in semiconductor materials with a scanning electron microscope (SEM). Representative examples are given for crystalline silicon. The luminescence behavior of extended defects can be investigated by cathodoluminescence (CL) measurements. They are particularly valuable because spectrally and spatially resolved information can be obtained simultaneously. For silicon, with an indirect electronic band structure, CL measurements should be carried out at low temperatures down to 5 K due to the low fraction of radiative recombination processes in comparison to non-radiative transitions at room temperature. For the study of the electrical properties of extended defects, the electron beam induced current (EBIC) technique can be applied. The EBIC image reflects the local distribution of defects due to the increased charge-carrier recombination in their vicinity. The procedure for EBIC investigations is described for measurements at room temperature and at low temperatures. Internal strain fields arising from extended defects can be determined quantitatively by cross-correlation electron backscatter diffraction (ccEBSD). This method is challenging because of the necessary preparation of the sample surface and because of the quality of the diffraction patterns which are recorded during the mapping of the sample. The spatial resolution of the three experimental techniques is compared.

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

PubMed Central

Hieckmann, Ellen; Nacke, Markus; Allardt, Matthias; Bodrov, Yury; Chekhonin, Paul; Skrotzki, Werner; Weber, Jörg

2016-01-01

Extended defects such as dislocations and grain boundaries have a strong influence on the performance of microelectronic devices and on other applications of semiconductor materials. However, it is still under debate how the defect structure determines the band structure, and therefore, the recombination behavior of electron-hole pairs responsible for the optical and electrical properties of the extended defects. The present paper is a survey of procedures for the spatially resolved investigation of structural and of physical properties of extended defects in semiconductor materials with a scanning electron microscope (SEM). Representative examples are given for crystalline silicon. The luminescence behavior of extended defects can be investigated by cathodoluminescence (CL) measurements. They are particularly valuable because spectrally and spatially resolved information can be obtained simultaneously. For silicon, with an indirect electronic band structure, CL measurements should be carried out at low temperatures down to 5 K due to the low fraction of radiative recombination processes in comparison to non-radiative transitions at room temperature. For the study of the electrical properties of extended defects, the electron beam induced current (EBIC) technique can be applied. The EBIC image reflects the local distribution of defects due to the increased charge-carrier recombination in their vicinity. The procedure for EBIC investigations is described for measurements at room temperature and at low temperatures. Internal strain fields arising from extended defects can be determined quantitatively by cross-correlation electron backscatter diffraction (ccEBSD). This method is challenging because of the necessary preparation of the sample surface and because of the quality of the diffraction patterns which are recorded during the mapping of the sample. The spatial resolution of the three experimental techniques is compared. PMID:27285177

Shaped nanocrystal particles and methods for making the same

DOEpatents

Alivisatos, A Paul [Oakland, CA; Scher, Erik C [Menlo Park, CA; Manna, Liberato [Berkeley, CA

2011-11-22

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped nanocrystal particles and methods for making the same

DOEpatents

Alivisatos, A. Paul; Scher, Erik C; Manna, Liberato

2013-12-17

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped nanocrystal particles and methods for working the same

DOEpatents

Alivisatos, A. Paul; Sher, Eric C.; Manna, Liberato

2007-12-25

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped Nonocrystal Particles And Methods For Making The Same

DOEpatents

Alivisatos, A. Paul; Scher, Erik C.; Manna, Liberato

2005-02-15

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Structure, Elastic Constants and XRD Spectra of Extended Solids under High Pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Batyrev, I. G.; Coleman, S. P.; Ciezak-Jenkins, J. A.

We present results of evolutionary simulations based on density functional calculations of a potentially new type of energetic materials called extended solids: P-N and N-H. High-density structures with covalent bonds generated using variable and fixed concentration methods were analysed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction (XRD) spectra. X-ray diffraction spectra were calculated using a virtual diffraction algorithm that computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculated XRD patterns were used to search for the structure of extended solids present at experimental pressures by optimizing data accordingmore » to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Elastic constants has been calculated for thermodynamically stable structures of P-N system.« less

Analysis of the structure and dynamics of human serum albumin.

PubMed

Guizado, T R Cuya

2014-10-01

Human serum albumin (HSA) is a biologically relevant protein that binds a variety of drugs and other small molecules. No less than 50 structures are deposited in the RCSB Protein Data Bank (PDB). Based on these structures, we first performed a clustering analysis. Despite the diversity of ligands, only two well defined conformations are detected, with a deviation of 0.46 nm between the average structures of the two clusters, while deviations within each cluster are smaller than 0.08 nm. Those two conformations are representative of the apoprotein and the HSA-myristate complex already identified in previous literature. Considering the structures within each cluster as a representative sample of the dynamical states of the corresponding conformation, we scrutinize the structural and dynamical differences between both conformations. Analysis of the fluctuations within each cluster set reveals that domain II is the most rigid one and better matches both structures. Then, taking this domain as reference, we show that the structural difference between both conformations can be expressed in terms of twist and hinge motions of domains I and III, respectively. We also characterize the dynamical difference between conformations by computing correlations and principal components for each set of dynamical states. The two conformations display different collective motions. The results are compared with those obtained from the trajectories of short molecular dynamics simulations, giving consistent outcomes. Let us remark that, beyond the relevance of the results for the structural and dynamical characterization of HAS conformations, the present methodology could be extended to other proteins in the PDB archive.

DOE Office of Scientific and Technical Information (OSTI.GOV)

bedle, H; Matzel, E; Flanagan, M

This report summarizes the data analysis achieved during Heather Bedle's eleven-week Technical Scholar internship at Lawrence Livermore National Labs during the early summer 2006. The work completed during this internship resulted in constraints on the crustal and upper mantle S-velocity structure in Northern Africa, the Mediterranean, the Middle East, and Europe, through the fitting of regional waveform data. This data extends current raypath coverage and will be included in a joint inversion along with data from surface wave group velocity measurements, S and P teleseismic arrival time data, and receiver function data to create an improved velocity model of themore » upper mantle in this region. The tectonic structure of the North African/Mediterranean/Europe/Middle Eastern study region is extremely heterogeneous. This region consists of, among others, stable cratons and platforms such as the West Africa Craton, and Baltica in Northern Europe; oceanic subduction zones throughout the Mediterranean Sea where the African and Eurasian plate collide; regions of continental collision as the Arabian Plate moves northward into the Turkish Plate; and rifting in the Red Sea, separating the Arabian and Nubian shields. With such diverse tectonic structures, many of the waveforms were difficult to fit. This is not unexpected as the waveforms are fit using an averaged structure. In many cases the raypaths encounter several tectonic features, complicating the waveform, and making it hard for the software to converge on a 1D average structure. Overall, the quality of the waveform data was average, with roughly 30% of the waveforms being discarded due to excessive noise that interfered with the frequency ranges of interest. An inversion for the 3D S-velocity structure of this region was also performed following the methodology of Partitioned Waveform Inversion (Nolet, 1990; Van der Lee and Nolet, 1997). The addition of the newly fit waveforms drastically extends the range of the model. The model now extends as far east in Africa to cover Chad and Niger, and reaches south to cover Zambia. The model is also stretched eastward to cover the eastern half of India, and northward to cover the southern portion of Scandinavia.« less

Integrated modeling and analysis of a space-truss article

NASA Technical Reports Server (NTRS)

Stockwell, Alan E.; Perez, Sharon E.; Pappa, Richard S.

1990-01-01

MSC/NASTRAN is being used in the Controls-Structures Interaction (CSI) program at NASA Langley Research Center as a key analytical tool for structural analysis as well as the basis for control law development, closed-loop performance evaluation, and system safety checks. Guest investigators from academia and industry are performing dynamics and control experiments on a flight-like deployable space truss called Mini-Mast to determine the effectiveness of various active-vibration control laws. MSC/NASTRAN was used to calculate natural frequencies and mode shapes below 100 Hz to describe the dynamics of the 20-meter-long lightweight Mini-Mast structure. Gravitational effects contribute significantly to structural stiffness and are accounted for through a two-phase solution in which the differential stiffness matrix is calculated and then used in the eigensolution. Reduced modal models are extracted for control law design and evaluation of closed-loop system performance. Predicted actuator forces from controls simulations are then applied to the extended model to predict member loads and stresses. These pre-test analyses reduce risks associated with the structural integrity of the test article, which is a major concern in closed-loop control experiments due to potential instabilities.

Chemical structure of interfaces

NASA Technical Reports Server (NTRS)

Grunthaner, F. J.

1985-01-01

The interfacial structure of silicon/dielectric and silicon/metal systems is particularly amenable to analysis using a combination of surface spectroscopies together with a variety of chemical structures of Si/SiO2, Si/SiO2Si3N4, Si/Si2N2O, Si/SiO2/Al, and Si/Native Oxide interfaces using high resolution (0.350 eV FWHM) X ray photoelectron spectroscopy. The general structure of these dielectric interfaces entails a monolayer chemical transition layer at the Si/dielectric boundary. Amorphous Si substrates show a wide variety of hydrogenated Si and Si(OH) sub x states that are not observed in thermal oxidation of single crystal material. Extended SiO2 layers greater than 8 A in thickness are shown to be stoichiometric SiO2, but to exhibit a wide variety of local network structures. In the nitrogen containing systems, an approach to stoichiometric oxynitride compounds with interesting impurity and electron trapping properties are seen. In native oxides, substantial topographical nonuniformity in oxide thickness and composition are found. Analysis of metal/oxide interfacial layers is accomplished by analytical removal of the Si substrate by UHV XeF2 dry etching methods.

Atomic Structure and Properties of Extended Defects in Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buczko, R.; Chisholm, M.F.; Kaplan, T.

1998-10-15

The Z-contrast technique represents a new approach to high-resolution electron microscopy allowing for the first time incoherent imaging of materials on the atomic scale. The key advantages of the technique, an intrinsically higher resolution limit and directly interpretable, compositionally sensitive imaging, allow a new level of insight into the atomic configurations of extended defects in silicon. This experimental technique has been combined with theoretical calculations (a combination of first principles, tight binding, and classical methods) to extend this level of insight by obtaining the energetic and electronic structure of the defects.

[An expert system for controlling the physical training program of crews on long-term space missions].

PubMed

Son'kin, V D; Egorov, A D; Zaĭtseva, V V; Son'kin, V V; Stepantsov, V I

2003-01-01

The concept of in-flight expert system for controlling (ESC) the physical training program during extended, including Martian, space missions has been developed based on the literature dedicated to the microgravity countermeasures and a retrospective analysis of effectiveness of the known ESC methods. This concept and the principle of crew autonomy were used as prime assumptions for defining the structure of ESC-based training in long-duration and planetary missions.

Computations involving differential operators and their actions on functions

NASA Technical Reports Server (NTRS)

Crouch, Peter E.; Grossman, Robert; Larson, Richard

1991-01-01

The algorithms derived by Grossmann and Larson (1989) are further developed for rewriting expressions involving differential operators. The differential operators involved arise in the local analysis of nonlinear dynamical systems. These algorithms are extended in two different directions: the algorithms are generalized so that they apply to differential operators on groups and the data structures and algorithms are developed to compute symbolically the action of differential operators on functions. Both of these generalizations are needed for applications.

Extended X-ray Absorption Fine Structure (EXAFS) Analysis of Vitreous Rare Earth Sodium Phosphates

NASA Astrophysics Data System (ADS)

Yoo, Changhyeon; Marasinghe, Kanishka; Segre, Carlo; Shibata, Tomohiro

2015-03-01

The local structure around rare-earth ions (RE3+) in rare-earth ultraphosphate (REUP) glasses has been studied using RE LIII edge (RE = Nd, Er, Dy, and Eu) and K edge (RE = Nd, Pr, Dy, and Eu) extended X-ray absorption fine structure (EXAFS) spectroscopy. (RE2O3)x (Na2O)y(P2O5) 1 - x - y glasses in the compositional range 0 <= x <= 0.14 and x + y = 0.3 and 0.4 were studied. RE-oxygen (RE-O) coordination number decreases from ~ 10 to ~ 7.5 with increasing RE-content for Nd, Pr, Eu, and Dy. For Er, RE-O coordination number increases from ~ 8.7 to ~ 10 with increasing RE-content. For the first oxygen shell, the RE-O distance ranges between 2.41-2.43 Å, 2.44-2.46 Å, 2.24-2.26 Å, 2.28-2.32 Å, and 2.32-2.36 Å for Nd, Pr, Er, Dy, and EU glasses, respectively. Second shell around RE ions consists of phosphorus atoms, with RE-P distance about 3.0-3.5 Å and coordination number ranging from 1 to 3. The third shell primarily contains oxygen and is at a distance about 4.0-4.1 Å from RE ions.

The effects of family structure and function on mental health during China's transition: a cross-sectional analysis.

PubMed

Cheng, Yao; Zhang, Liuyi; Wang, Fang; Zhang, Ping; Ye, Beizhu; Liang, Yuan

2017-05-05

Social change, intensified by industrialization and globalization, has not only changed people's work lives but also their personal lives, especially in developing countries. The aim of this study was to provide evidence and recommendations regarding family structure, function, and mental health to actively respond to rapid social change. A cross-sectional survey was conducted face-to-face and door-to-door from July 2011 to September 2012 in Hubei Province, central China. Family structure comprised alone, couple, nuclear family, and extended family; family function was measured using the family APGAR (Adaptation, Partnership, Growth, Affection, and Resolve) scale, and mental health was measured using the Chinese version of the 12-item General Health Questionnaire (GHQ-12). The urban-vs-rural difference of family structure among alone, couple, nuclear family, and extended family was statistically significant (5.21% vs 4.62%; 27.36% vs 13.14%; 33.22% vs 27.74%; 34.20% vs 54.50%, respectively; p < 0.0001); and those difference of family function was not statistically significant (8.11 ± 2.13 vs 8.09 ± 2.27, p = 0.9372). The general linear regression showed that the effect of family structure on mental health, whether urban or rural, was not significant, however, the effect of family function was significant, especially regarding better family functioning with better mental health. Combined the effects of family structure and function on mental health, the external form of family (family structure) may not be important; while the internal quality of role (family function) might be key. Improving the residents' family function would be a priority strategy for family practice with their mental health.

Confirmatory Factor Analysis of the Malay Version Comprehensive Feeding Practices Questionnaire Tested among Mothers of Primary School Children in Malaysia

PubMed Central

Shohaimi, Shamarina; Yoke Wei, Wong; Mohd Shariff, Zalilah

2014-01-01

Comprehensive feeding practices questionnaire (CFPQ) is an instrument specifically developed to evaluate parental feeding practices. It has been confirmed among children in America and applied to populations in France, Norway, and New Zealand. In order to extend the application of CFPQ, we conducted a factor structure validation of the translated version of CFPQ (CFPQ-M) using confirmatory factor analysis among mothers of primary school children (N = 397) in Malaysia. Several items were modified for cultural adaptation. Of 49 items, 39 items with loading factors >0.40 were retained in the final model. The confirmatory factor analysis revealed that the final model (twelve-factor model with 39 items and 2 error covariances) displayed the best fit for our sample (Chi-square = 1147; df = 634; P < 0.05; CFI = 0.900; RMSEA = 0.045; SRMR = 0.0058). The instrument with some modifications was confirmed among mothers of school children in Malaysia. The present study extends the usability of the CFPQ and enables researchers and parents to better understand the relationships between parental feeding practices and related problems such as childhood obesity. PMID:25538958

Research resource: Update and extension of a glycoprotein hormone receptors web application.

PubMed

Kreuchwig, Annika; Kleinau, Gunnar; Kreuchwig, Franziska; Worth, Catherine L; Krause, Gerd

2011-04-01

The SSFA-GPHR (Sequence-Structure-Function-Analysis of Glycoprotein Hormone Receptors) database provides a comprehensive set of mutation data for the glycoprotein hormone receptors (covering the lutropin, the FSH, and the TSH receptors). Moreover, it provides a platform for comparison and investigation of these homologous receptors and helps in understanding protein malfunctions associated with several diseases. Besides extending the data set (> 1100 mutations), the database has been completely redesigned and several novel features and analysis tools have been added to the web site. These tools allow the focused extraction of semiquantitative mutant data from the GPHR subtypes and different experimental approaches. Functional and structural data of the GPHRs are now linked interactively at the web interface, and new tools for data visualization (on three-dimensional protein structures) are provided. The interpretation of functional findings is supported by receptor morphings simulating intramolecular changes during the activation process, which thus help to trace the potential function of each amino acid and provide clues to the local structural environment, including potentially relocated spatial counterpart residues. Furthermore, double and triple mutations are newly included to allow the analysis of their functional effects related to their spatial interrelationship in structures or homology models. A new important feature is the search option and data visualization by interactive and user-defined snake-plots. These new tools allow fast and easy searches for specific functional data and thereby give deeper insights in the mechanisms of hormone binding, signal transduction, and signaling regulation. The web application "Sequence-Structure-Function-Analysis of GPHRs" is accessible on the internet at http://www.ssfa-gphr.de/.

Dynamic Testing of a Pre-stretched Flexible Tube for Identifying the Factors Affecting Modal Parameter Estimation

NASA Astrophysics Data System (ADS)

Unnikrishnan, Madhusudanan; Rajan, Akash; Basanthvihar Raghunathan, Binulal; Kochupillai, Jayaraj

2017-08-01

Experimental modal analysis is the primary tool for obtaining the fundamental dynamic characteristics like natural frequency, mode shape and modal damping ratio that determine the behaviour of any structure under dynamic loading conditions. This paper discusses about a carefully designed experimental method for calculating the dynamic characteristics of a pre-stretched horizontal flexible tube made of polyurethane material. The factors that affect the modal parameter estimation like the application time of shaker excitation, pause time between successive excitation cycles, averaging and windowing of measured signal, as well as the precautions to be taken during the experiment are explained in detail. The modal parameter estimation is done using MEscopeVESTM software. A finite element based pre-stressed modal analysis of the flexible tube is also done using ANSYS ver.14.0 software. The experimental and analytical results agreed well. The proposed experimental methodology may be extended for carrying out the modal analysis of many flexible structures like inflatables, tires and membranes.

A new method for comparing rankings through complex networks: Model and analysis of competitiveness of major European soccer leagues

NASA Astrophysics Data System (ADS)

Criado, Regino; García, Esther; Pedroche, Francisco; Romance, Miguel

2013-12-01

In this paper, we show a new technique to analyze families of rankings. In particular, we focus on sports rankings and, more precisely, on soccer leagues. We consider that two teams compete when they change their relative positions in consecutive rankings. This allows to define a graph by linking teams that compete. We show how to use some structural properties of this competitivity graph to measure to what extend the teams in a league compete. These structural properties are the mean degree, the mean strength, and the clustering coefficient. We give a generalization of the Kendall's correlation coefficient to more than two rankings. We also show how to make a dynamic analysis of a league and how to compare different leagues. We apply this technique to analyze the four major European soccer leagues: Bundesliga, Italian Lega, Spanish Liga, and Premier League. We compare our results with the classical analysis of sport ranking based on measures of competitive balance.

Coupled Thermo-Electro-Magneto-Elastic Response of Smart Stiffened Panels

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Yarrington, Phillip W.

2009-01-01

This report documents the procedures developed for incorporating smart laminate and panel analysis capabilities within the HyperSizer aerospace structural sizing software package. HyperSizer analyzes stiffened panels composed of arbitrary composite laminates through stiffener homogenization, or "smearing " techniques. The result is an effective constitutive equation for the stiffened panel that is suitable for use in a full vehicle-scale finite element analysis via MSC/NASTRAN. The existing thermo-elastic capabilities of HyperSizer have herein been extended to include coupled thermo-electro-magneto-elastic analysis capabilities. This represents a significant step toward realization of design tools capable of guiding the development of the next generation of smart aerospace structures. Verification results are presented that compare the developed smart HyperSizer capability with an ABAQUS piezoelectric finite element solution for a facesheet-flange combination. These results show good agreement between HyperSizer and ABAQUS, but highlight a limitation of the HyperSizer formulation in that constant electric field components are assumed.

PATRAM '80. Proceedings. Volume 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huebner, H.W.

1980-01-01

Volume 2 contains papers from the following sessions: Safeguards-Related Problems; Neutronics and Criticality; Operations and Systems Experience II; Plutonium Systems; Intermediate Storage in Casks; Operations and Systems Planning; Institutional Issues; Structural and Thermal Evaluation I; Poster Session B; Extended Testing I; Structural and Thermal Evaluation II; Extended Testing II; and Emergency Preparedness and Response. Individual papers were processed. (LM)

7. VIEW OF TRICOMPOSITE ROOF STRUCTURE. TOP CHORDS ARE TIMBER. ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

7. VIEW OF TRICOMPOSITE ROOF STRUCTURE. TOP CHORDS ARE TIMBER. TENSION RODS (THIN METAL RODS EXTENDING DIAGONALLY FROM THE HORIZONTAL TIMBER BRACE) ARE WROUGHT IRON. SOLID CRUCIFORM SHAPED COMPRESSION MEMBERS EXTENDING DOWNWARD FROM THE TIMBER TOP CHORD ARE MADE OF CAST IRON - North Central Railroad, Baltimore Freight House, Guilford & Centre Streets, Baltimore, Independent City, MD

Cation distribution in NiZn-ferrite films via extended x-ray absorption fine structure

NASA Astrophysics Data System (ADS)

Harris, V. G.; Koon, N. C.; Williams, C. M.; Zhang, Q.; Abe, M.; Kirkland, J. P.

1996-04-01

We have applied extended x-ray absorption fine structure (EXAFS) spectroscopy to study the cation distribution in a series of spin-sprayed NiZn-ferrite films. A least-squares fitting of experimental EXAFS data with theoretical, multiple-scattering, EXAFS data allowed the quantitative determination of site distributions for all transition metal cations.

Evaluation of the High-Heel Roof-to-Wall Connection with Extended OSB Wall Sheathing

Treesearch

Andrew DeRenzis; Vladimir Kochkin; Xiping Wang

2013-01-01

A recently completed testing project conducted to evaluate optimized structural roof-to-wall attachment solutions demonstrated the effectiveness of wood structural panels in restraining high-heel trusses against rotation. This study was designed to further evaluate the performance of OSB wall sheathing panels extended over the high-heel truss in resisting combined...

D-section structural tubes

NASA Technical Reports Server (NTRS)

Leete, II, John H. (Inventor); Skinner, William J. (Inventor)

1989-01-01

Structural members for a frame or truss are formed of two substantially identical elongated tubular like members each having a planar extending wall with the tubular members joined together along the planar wall, back to back, and end portions of the joined planar walls form extending lugs. A complementary joint fitting includes a clevis having a slot for receiving the lug.

Incorporating profile information in community detection for online social networks

NASA Astrophysics Data System (ADS)

Fan, W.; Yeung, K. H.

2014-07-01

Community structure is an important feature in the study of complex networks. It is because nodes of the same community may have similar properties. In this paper we extend two popular community detection methods to partition online social networks. In our extended methods, the profile information of users is used for partitioning. We apply the extended methods in several sample networks of Facebook. Compared with the original methods, the community structures we obtain have higher modularity. Our results indicate that users' profile information is consistent with the community structure of their friendship network to some extent. To the best of our knowledge, this paper is the first to discuss how profile information can be used to improve community detection in online social networks.

Extended Full Computation-Tree Logic with Sequence Modal Operator: Representing Hierarchical Tree Structures

NASA Astrophysics Data System (ADS)

Kamide, Norihiro; Kaneiwa, Ken

An extended full computation-tree logic, CTLS*, is introduced as a Kripke semantics with a sequence modal operator. This logic can appropriately represent hierarchical tree structures where sequence modal operators in CTLS* are applied to tree structures. An embedding theorem of CTLS* into CTL* is proved. The validity, satisfiability and model-checking problems of CTLS* are shown to be decidable. An illustrative example of biological taxonomy is presented using CTLS* formulas.

Structural-change localization and monitoring through a perturbation-based inverse problem.

PubMed

Roux, Philippe; Guéguen, Philippe; Baillet, Laurent; Hamze, Alaa

2014-11-01

Structural-change detection and characterization, or structural-health monitoring, is generally based on modal analysis, for detection, localization, and quantification of changes in structure. Classical methods combine both variations in frequencies and mode shapes, which require accurate and spatially distributed measurements. In this study, the detection and localization of a local perturbation are assessed by analysis of frequency changes (in the fundamental mode and overtones) that are combined with a perturbation-based linear inverse method and a deconvolution process. This perturbation method is applied first to a bending beam with the change considered as a local perturbation of the Young's modulus, using a one-dimensional finite-element model for modal analysis. Localization is successful, even for extended and multiple changes. In a second step, the method is numerically tested under ambient-noise vibration from the beam support with local changes that are shifted step by step along the beam. The frequency values are revealed using the random decrement technique that is applied to the time-evolving vibrations recorded by one sensor at the free extremity of the beam. Finally, the inversion method is experimentally demonstrated at the laboratory scale with data recorded at the free end of a Plexiglas beam attached to a metallic support.

A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug

NASA Astrophysics Data System (ADS)

Bastos, Isadora T. S.; Costa, Fanny N.; Silva, Tiago F.; Barreiro, Eliezer J.; Lima, Lídia M.; Braz, Delson; Lombardo, Giuseppe M.; Punzo, Francesco; Ferreira, Fabio F.; Barroso, Regina C.

2017-10-01

LASSBio-1755 is a new cycloalkyl-N-acylhydrazone parent compound designed for the development of derivatives with antinociceptive and anti-inflammatory activities. Although single crystal X-ray diffraction has been considered as the golden standard in structure determination, we successfully used X-ray powder diffraction data in the structural determination of new synthesized compounds, in order to overcome the bottle-neck due to the difficulties experienced in harvesting good quality single crystals of the compounds. We therefore unequivocally assigned the relative configuration (E) to the imine double bond and a s-cis conformation of the amide function of the N-acylhydrazone compound. These features are confirmed by a computational analysis performed on the basis of molecular dynamics calculations, which are extended not only to the structural characteristics but also to the analysis of the anisotropic atomic displacement parameters, a further information - missed in a typical powder diffraction analysis. The so inferred data were used to perform additional cycles of refinement and eventually generate a new cif file with additional physical information. Furthermore, crystal morphology prediction was performed, which is in agreement with the experimental images acquired by scanning electron microscopy, thus providing useful information on possible alternative paths for better crystallization strategies.

Structural lineament and pattern analysis of Missouri, using LANDSAT imagery

NASA Technical Reports Server (NTRS)

Martin, J. A.; Kisvarsanyi, G. (Principal Investigator)

1977-01-01

The author has identified the following significant results. Major linear, circular, and arcuate traces were observed on LANDSAT imagery of Missouri. Lineaments plotted within the state boundaries range from 20 to nearly 500 km in length. Several extend into adjoining states. Lineaments plots indicate a distinct pattern and in general reflect structural features of the Precambrian basement of the platform. Coincidence of lineaments traced from the imagery and known structural features in Missouri is high, thus supporting a causative relation between them. The lineament pattern apparently reveals a fundamental style of the deformation of the intracontinental craton. Dozens of heretofore unknown linear features related to epirogenic movements and deformation of this segment of the continental crust were delineated. Lineaments and mineralization are interrelated in a geometrically classifiable pattern.

Protein Data Bank depositions from synchrotron sources.

PubMed

Jiang, Jiansheng; Sweet, Robert M

2004-07-01

A survey and analysis of Protein Data Bank (PDB) depositions from international synchrotron radiation facilities, based on the latest released PDB entries, are reported. The results (http://asdp.bnl.gov/asda/Libraries/) show that worldwide, every year since 1999, more than 50% of the deposited X-ray structures have used synchrotron facilities, reaching 75% by 2003. In this web-based database, all PDB entries among individual synchrotron beamlines are archived, synchronized with the weekly PDB release. Statistics regarding the quality of experimental data and the refined model for all structures are presented, and these are analysed to reflect the impact of synchrotron sources. The results confirm the common impression that synchrotron sources extend the size of structures that can be solved with equivalent or better quality than home sources.

ETE: a python Environment for Tree Exploration.

PubMed

Huerta-Cepas, Jaime; Dopazo, Joaquín; Gabaldón, Toni

2010-01-13

Many bioinformatics analyses, ranging from gene clustering to phylogenetics, produce hierarchical trees as their main result. These are used to represent the relationships among different biological entities, thus facilitating their analysis and interpretation. A number of standalone programs are available that focus on tree visualization or that perform specific analyses on them. However, such applications are rarely suitable for large-scale surveys, in which a higher level of automation is required. Currently, many genome-wide analyses rely on tree-like data representation and hence there is a growing need for scalable tools to handle tree structures at large scale. Here we present the Environment for Tree Exploration (ETE), a python programming toolkit that assists in the automated manipulation, analysis and visualization of hierarchical trees. ETE libraries provide a broad set of tree handling options as well as specific methods to analyze phylogenetic and clustering trees. Among other features, ETE allows for the independent analysis of tree partitions, has support for the extended newick format, provides an integrated node annotation system and permits to link trees to external data such as multiple sequence alignments or numerical arrays. In addition, ETE implements a number of built-in analytical tools, including phylogeny-based orthology prediction and cluster validation techniques. Finally, ETE's programmable tree drawing engine can be used to automate the graphical rendering of trees with customized node-specific visualizations. ETE provides a complete set of methods to manipulate tree data structures that extends current functionality in other bioinformatic toolkits of a more general purpose. ETE is free software and can be downloaded from http://ete.cgenomics.org.

ETE: a python Environment for Tree Exploration

PubMed Central

2010-01-01

Background Many bioinformatics analyses, ranging from gene clustering to phylogenetics, produce hierarchical trees as their main result. These are used to represent the relationships among different biological entities, thus facilitating their analysis and interpretation. A number of standalone programs are available that focus on tree visualization or that perform specific analyses on them. However, such applications are rarely suitable for large-scale surveys, in which a higher level of automation is required. Currently, many genome-wide analyses rely on tree-like data representation and hence there is a growing need for scalable tools to handle tree structures at large scale. Results Here we present the Environment for Tree Exploration (ETE), a python programming toolkit that assists in the automated manipulation, analysis and visualization of hierarchical trees. ETE libraries provide a broad set of tree handling options as well as specific methods to analyze phylogenetic and clustering trees. Among other features, ETE allows for the independent analysis of tree partitions, has support for the extended newick format, provides an integrated node annotation system and permits to link trees to external data such as multiple sequence alignments or numerical arrays. In addition, ETE implements a number of built-in analytical tools, including phylogeny-based orthology prediction and cluster validation techniques. Finally, ETE's programmable tree drawing engine can be used to automate the graphical rendering of trees with customized node-specific visualizations. Conclusions ETE provides a complete set of methods to manipulate tree data structures that extends current functionality in other bioinformatic toolkits of a more general purpose. ETE is free software and can be downloaded from http://ete.cgenomics.org. PMID:20070885

Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of [alpha]- and PPII-helices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, Matthew R.; Rajashankar, Kanagalaghatta R.; Patel, Manisha H.

2010-08-18

Streptococcus mutans antigen I/II (AgI/II) is a cell surface-localized protein adhesin that interacts with salivary components within the salivary pellicle. AgI/II contributes to virulence and has been studied as an immunological and structural target, but a fundamental understanding of its underlying architecture has been lacking. Here we report a high-resolution (1.8 {angstrom}) crystal structure of the A{sub 3}VP{sub 1} fragment of S. mutans AgI/II that demonstrates a unique fibrillar form (155 {angstrom}) through the interaction of two noncontiguous regions in the primary sequence. The A{sub 3} repeat of the alanine-rich domain adopts an extended {alpha}-helix that intertwines with the P{submore » 1} repeat polyproline type II (PPII) helix to form a highly extended stalk-like structure heretofore unseen in prokaryotic or eukaryotic protein structures. Velocity sedimentation studies indicate that full-length AgI/II that contains three A/P repeats extends over 50 nanometers in length. Isothermal titration calorimetry revealed that the high-affinity association between the A{sub 3} and P{sub 1} helices is enthalpically driven. Two distinct binding sites on AgI/II to the host receptor salivary agglutinin (SAG) were identified by surface plasmon resonance (SPR). The current crystal structure reveals that AgI/II family proteins are extended fibrillar structures with the number of alanine- and proline-rich repeats determining their length.« less

Thermally induced fracture for core-veneered dental ceramic structures.

PubMed

Zhang, Zhongpu; Guazzato, Massimiliano; Sornsuwan, Tanapon; Scherrer, Susanne S; Rungsiyakull, Chaiy; Li, Wei; Swain, Michael V; Li, Qing

2013-09-01

Effective and reliable clinical uses of dental ceramics necessitate an insightful analysis of the fracture behaviour under critical conditions. To better understand failure characteristics of porcelain veneered to zirconia core ceramic structures, thermally induced cracking during the cooling phase of fabrication is studied here by using the extended finite element method (XFEM). In this study, a transient thermal analysis of cooling is conducted first to determine the temperature distributions. The time-dependent temperature field is then imported to the XFEM model for viscoelastic thermomechanical analysis, which predicts thermally induced damage and cracking at different time steps. Temperature-dependent material properties are used in both transient thermal and thermomechanical analyses. Three typical ceramic structures are considered in this paper, namely bi-layered spheres, squat cylinders and dental crowns with thickness ratios of either 1:2 or 1:1. The XFEM fracture patterns exhibit good agreement with clinical observation and the in vitro experimental results obtained from scanning electron microscopy characterization. The study reveals that fast cooling can lead to thermal fracture of these different bi-layered ceramic structures, and cooling rate (in terms of heat transfer coefficient) plays a critical role in crack initiation and propagation. By exploring different cooling rates, the heat transfer coefficient thresholds of fracture are determined for different structures, which are of clear clinical implication. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Molecular Cloning, Bioinformatics Analysis and Expression of Insulin-Like Growth Factor 2 from Tianzhu White Yak, Bos grunniens

PubMed Central

Zhang, Quanwei; Gong, Jishang; Wang, Xueying; Wu, Xiaohu; Li, Yalan; Ma, Youji; Zhang, Yong; Zhao, Xingxu

2014-01-01

The IGF family is essential for normal embryonic and postnatal development and plays important roles in the immune system, myogenesis, bone metabolism and other physiological functions, which makes the study of its structure and biological characteristics important. Tianzhu white yak (Bos grunniens) domesticated under alpine hypoxia environments, is well adapted to survive and grow against severe hypoxia and cold temperatures for extended periods. In this study, a full coding sequence of the IGF2 gene of Tianzhu white yak was amplified by reverse transcription PCR and rapid-amplification of cDNA ends (RACE) for the first time. The cDNA sequence revealed an open reading frame of 450 nucleotides, encoding a protein with 179 amino acids. Its expression in different tissues was also studied by Real time PCR. Phylogenetic tree analysis indicated that yak IGF2 was similar to Bos taurus, and 3D structure showed high similarity with the human IGF2. The putative full CDS of yak IGF2 was amplified by PCR in five tissues, and cDNA sequence analysis showed high homology to bovine IGF2. Moreover the super secondary structure prediction showed a similar 3D structure with human IGF2. Its conservation in sequence and structure has facilitated research on IGF2 and its physiological function in yak. PMID:24394317

DETERMINING THE NATURE OF THE EXTENDED H I STRUCTURE AROUND LITTLE THINGS DWARF GALAXY NGC 1569

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Megan, E-mail: mjohnson@nrao.edu; National Radio Astronomy Observatory, P.O. Box 2, Green Bank, WV 24915

2013-06-15

This work presents an extended, neutral hydrogen emission map around Magellanic-type dwarf irregular galaxy (dIm) NGC 1569. In the spring of 2010, the Robert C. Byrd Green Bank Telescope was used to map a 9 Degree-Sign Multiplication-Sign 2 Degree-Sign region in H I line emission that includes NGC 1569 and IC 342 as well as two other dwarf galaxies. The primary objective for these observations was to search for structures potentially connecting NGC 1569 with IC 342 group members in order to trace previous interactions and thus, provide an explanation for the starburst and peculiar kinematics prevalent in NGC 1569.more » A large, half-degree diameter H I cloud was detected that shares the same position and velocity as NGC 1569. Also, two long structures were discovered that are reminiscent of intergalactic filaments extending out in a V-shaped manner from NGC 1569 toward UGCA 92, a nearby dwarf galaxy. These filamentary structures extend for about 1. Degree-Sign 5, which is 77 kpc at NGC 1569. There is a continuous velocity succession with the 0. Degree-Sign 5 H I cloud, filaments, and main body of the galaxy. The 0. Degree-Sign 5 H I cloud and filamentary structures may be foreground Milky Way, but are suggestive as possible remnants of an interaction between NGC 1569 and UGCA 92. The data also show two tidal tails extending from UGCA 86 and IC 342, respectively. These structures may be part of a continuous H I bridge but more data are needed to determine if this is the case.« less

Structural analysis of fructans from Agave americana grown in South Africa for spirit production.

PubMed

Ravenscroft, Neil; Cescutti, Paola; Hearshaw, Meredith A; Ramsout, Ronica; Rizzo, Roberto; Timme, Elizabeth M

2009-05-27

Fructans isolated from Agave americana grown in South Africa are currently used for spirit production. Structural studies on water-soluble fructans were performed to facilitate the development of other applications including its use as a prebiotic. Acid hydrolysis followed by HPAEC-PAD analysis confirmed that the fructan was composed of glucose and fructose, and size analysis by HPAEC-PAD and size exclusion chromatography indicated that the saccharides have a DP range from 6 to 50. An average DP of 14 was estimated by (1)H NMR analysis. Linkage analysis and ESI-MS studies suggest that A. americana has a neofructan structure consisting of a central sucrose to which (2 → 1)- and (2 → 6)-linked β-D-Fruf chains are attached. The (2 → 1)-linked units extend from C-1 of Fru and C-6 of glucose, whereas the (2 → 6)-linked β-D-Fruf units are attached to C-6 of the central Fru. This structure accounts for the presence of equimolar amounts of 1,6-linked Glu and 1,2,6-linked Fru found in linkage analysis and the multiplicity of the NMR signals observed. Detailed ESI-MS studies were performed on fructan fractions: native, periodate oxidized/reduced, and permethylated oligomers. These derivatizations introduced mass differences between Glc and Fru following oxidation and between 1,2-, 1,6-, 2,6-, and 1,2,6-linked units after methylation. Thus, ESI-MS showed the presence of a single Glc per fructan chain and that it is predominantly internal, rather than terminal as found in inulin. These structural features were confirmed by the use of 1D and 2D NMR experiments.

Extension of the Vane Pump-Grinder Technology to Manufacture Finely Dispersed Meat Batters.

PubMed

Irmscher, Stefan B; Gibis, Monika; Herrmann, Kurt; Oechsle, Anja Maria; Kohlus, Reinhard; Weiss, Jochen

2016-03-01

A vane pump-grinder system was extended to enable the manufacture of finely dispersed emulsion-type sausages by constructing and attaching a high-shear homogenizer at the outlet. We hypothesized that the dispersing capabilities of the extended system may be improved to the point of facilitating meat-fat emulsification due to an overall increased volumetric energy input EV . Coarsely ground raw material mixtures were processed to yield meat batters at varying volume flow rates (10 to 60 L/min) and rotational rotor speeds of the homogenizer nrotor (1000 to 3400 rpm). The normalized torques acting on pump, grinder, and homogenizer motors were recorded and unit power consumptions were calculated. The structure of the manufactured meat batters and sausages were analyzed via image analysis. Key physicochemical properties of unheated and heated batters, that is, texture, water-binding, color, and solubilized protein were determined. The mean diameter d10 of the visible lean meat particles varied between 352 and 406 μm whereas the mean volume-surface diameter d32 varied between 603 and 796 μm. The lightness L* ranged from 66.2 to 70.7 and correlated with the volumetric energy input and product structure. By contrast, varying process parameters did not impact color values a* (approximately 11) and b* (approximately 8). Interestingly, water-binding and protein solubilization were not affected. An exponential process-structure relationship was identified allowing manufacturers to predict product properties as a function of applied process parameters. Raw material mixtures can be continuously comminuted, emulsified, and subsequently filled into casings using an extended vane pump-grinder. © 2016 Institute of Food Technologists®

Crystal Structure of a Super Leucine Zipper an Extended Two-Stranded Super Long Coiled Coil

DOE Office of Scientific and Technical Information (OSTI.GOV)

J Diao

2011-12-31

Coiled coil is a ubiquitous structural motif in proteins, with two to seven alpha helices coiled together like the strands of a rope, and coiled coil folding and assembly is not completely understood. A GCN4 leucine zipper mutant with four mutations of K3A, D7A, Y17W, and H18N has been designed, and the crystal structure has been determined at 1.6 {angstrom} resolution. The peptide monomer shows a helix trunk with short curved N- and C-termini. In the crystal, two monomers cross in 35{sup o} and form an X-shaped dimer, and each X-shaped dimer is welded into the next one through stickymore » hydrophobic ends, thus forming an extended two-stranded, parallel, super long coiled coil rather than a discrete, two-helix coiled coil of the wild-type GCN4 leucine zipper. Leucine residues appear at every seventh position in the super long coiled coil, suggesting that it is an extended super leucine zipper. Compared to the wild-type leucine zipper, the N-terminus of the mutant has a dramatic conformational change and the C-terminus has one more residue Glu 32 determined. The mutant X-shaped dimer has a large crossing angle of 35{sup o} instead of 18{sup o} in the wild-type dimer. The results show a novel assembly mode and oligomeric state of coiled coil, and demonstrate that mutations may affect folding and assembly of the overall coiled coil. Analysis of the formation mechanism of the super long coiled coil may help understand and design self-assembling protein fibers.« less

Design of Life Extending Controls Using Nonlinear Parameter Optimization

NASA Technical Reports Server (NTRS)

Lorenzo, Carl F.; Holmes, Michael S.; Ray, Asok

1998-01-01

This report presents the conceptual development of a life extending control system where the objective is to achieve high performance and structural durability of the plant. A life extending controller is designed for a reusable rocket engine via damage mitigation in both the fuel and oxidizer turbines while achieving high performance for transient responses of the combustion chamber pressure and the O2/H2 mixture ratio. This design approach makes use of a combination of linear and nonlinear controller synthesis techniques and also allows adaptation of the life extending controller module to augment a conventional performance controller of a rocket engine. The nonlinear aspect of the design is achieved using nonlinear parameter optimization of a prescribed control structure.

Cluster analysis reveals seasonal variation of sperm subpopulations in extended boar semen

PubMed Central

IBĂNESCU, Iulian; LEIDING, Claus; BOLLWEIN, Heinrich

2017-01-01

This study aimed to identify motile sperm subpopulations in extended boar semen and to observe the presumptive seasonal variation in their distribution. Data from 4837 boar ejaculates collected over a two-year period were analyzed in terms of kinematic parameters by Computer Assisted Sperm Analysis (CASA). Individual sperm data were used to determine subgroups of motile sperm within the ejaculates using cluster analysis. Four motile sperm subpopulations (SP) were identified, with distinct movement patterns: SP1 sperm with high velocity and high linearity; SP2 sperm with high velocity but low linearity; SP3 sperm with low velocity but high linearity; and SP4 sperm with low velocity and low linearity. SP1 constituted the least overall proportion within the ejaculates (P < 0.05). Season of semen collection significantly influenced the different proportions of sperm subpopulations. Spring was characterized by similar proportions of SP1 and SP4 (NS) and higher proportions of SP3. Summer brought a decrease in both subgroups containing fast sperm (SP1 and SP2) (P < 0.05). During autumn, increases in SP2 and SP4 were recorded. Winter substantially affected the proportions of all sperm subpopulations (P < 0.05) and SP2 became the most represented subgroup, while SP1 (fast and linear) reached its highest proportion compared to other seasons. In conclusion, extended boar semen is structured in distinct motile sperm subpopulations whose proportions vary according to the season of collection. Summer and autumn seem to have a negative impact on the fast and linear subpopulation. Cluster analysis can be useful in revealing differences in semen quality that are not normally detected by classical evaluation based on mean values. PMID:29081440

Allosteric effects in bacteriophage HK97 procapsids revealed directly from covariance analysis of cryo EM data.

PubMed

Xu, Nan; Veesler, David; Doerschuk, Peter C; Johnson, John E

2018-05-01

The information content of cryo EM data sets exceeds that of the electron scattering potential (cryo EM) density initially derived for structure determination. Previously we demonstrated the power of data variance analysis for characterizing regions of cryo EM density that displayed functionally important variance anomalies associated with maturation cleavage events in Nudaurelia Omega Capensis Virus and the presence or absence of a maturation protease in bacteriophage HK97 procapsids. Here we extend the analysis in two ways. First, instead of imposing icosahedral symmetry on every particle in the data set during the variance analysis, we only assume that the data set as a whole has icosahedral symmetry. This change removes artifacts of high variance along icosahedral symmetry axes, but retains all of the features previously reported in the HK97 data set. Second we present a covariance analysis that reveals correlations in structural dynamics (variance) between the interior of the HK97 procapsid with the protease and regions of the exterior (not seen in the absence of the protease). The latter analysis corresponds well with hydrogen deuterium exchange studies previously published that reveal the same correlation. Copyright © 2018 Elsevier Inc. All rights reserved.

Lyapunov exponents, covariant vectors and shadowing sensitivity analysis of 3D wakes: from laminar to chaotic regimes

NASA Astrophysics Data System (ADS)

Wang, Qiqi; Rigas, Georgios; Esclapez, Lucas; Magri, Luca; Blonigan, Patrick

2016-11-01

Bluff body flows are of fundamental importance to many engineering applications involving massive flow separation and in particular the transport industry. Coherent flow structures emanating in the wake of three-dimensional bluff bodies, such as cars, trucks and lorries, are directly linked to increased aerodynamic drag, noise and structural fatigue. For low Reynolds laminar and transitional regimes, hydrodynamic stability theory has aided the understanding and prediction of the unstable dynamics. In the same framework, sensitivity analysis provides the means for efficient and optimal control, provided the unstable modes can be accurately predicted. However, these methodologies are limited to laminar regimes where only a few unstable modes manifest. Here we extend the stability analysis to low-dimensional chaotic regimes by computing the Lyapunov covariant vectors and their associated Lyapunov exponents. We compare them to eigenvectors and eigenvalues computed in traditional hydrodynamic stability analysis. Computing Lyapunov covariant vectors and Lyapunov exponents also enables the extension of sensitivity analysis to chaotic flows via the shadowing method. We compare the computed shadowing sensitivities to traditional sensitivity analysis. These Lyapunov based methodologies do not rely on mean flow assumptions, and are mathematically rigorous for calculating sensitivities of fully unsteady flow simulations.

The effects of pressure dependent constitutive model to simulate concrete structures failure under impact loads

NASA Astrophysics Data System (ADS)

Mokhatar, S. N.; Sonoda, Y.; Kamarudin, A. F.; Noh, M. S. Md; Tokumaru, S.

2018-04-01

The main objective of this paper is to explore the effect of confining pressure in the compression and tension zone by simulating the behaviour of reinforced concrete/mortar structures subjected to the impact load. The analysis comprises the numerical simulation of the influences of high mass low speed impact weight dropping on concrete structures, where the analyses are incorporated with meshless method namely as Smoothed Particle Hydrodynamics (SPH) method. The derivation of the plastic stiffness matrix of Drucker-Prager (DP) that extended from Von-Mises (VM) yield criteria to simulate the concrete behaviour were presented in this paper. In which, the displacements for concrete/mortar structures are assumed to be infinitesimal. Furthermore, the influence of the different material model of DP and VM that used numerically for concrete and mortar structures are also discussed. Validation upon existing experimental test results is carried out to investigate the effect of confining pressure, it is found that VM criterion causes unreal impact failure (flexural cracking) of concrete structures.

Coupling of electromagnetics and structural/fluid dynamics - application to the dual coolant blanket subjected to plasma disruptions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jordan, T.

Some aspects concerning the coupling of quasi-stationary electromagnetics and the dynamics of structure and fluid are investigated. The necessary equations are given in a dimensionless form. The dimensionless parameters in these equations are used to evaluate the importance of the different coupling effects. A finite element formulation of the eddy-current damping in solid structures is developed. With this formulation, an existing finite element method (FEM) structural dynamics code is extended and coupled to an FEM eddy-current code. With this program system, the influence of the eddy-current damping on the dynamic loading of the dual coolant blanket during a centered plasmamore » disruption is determined. The analysis proves that only in loosely fixed or soft structures will eddy-current damping considerably reduce the resulting stresses. Additionally, the dynamic behavior of the liquid metal in the blankets` poloidal channels is described with a simple two-dimensional magnetohydrodynamic approach. The analysis of the dimensionless parameters shows that for small-scale experiments, which are designed to model the coupled electromagnetic and structural/fluid dynamic effects in such a blanket, the same magnetic fields must be applied as in the real fusion device. This will be the easiest way to design experiments that produce transferable results. 10 refs., 7 figs.« less

From Research to Clinical Settings: Validation of the Affect in Play Scale – Preschool Brief Version in a Sample of Preschool and School Aged Italian Children

PubMed Central

Di Riso, Daniela; Salcuni, Silvia; Lis, Adriana; Delvecchio, Elisa

2017-01-01

Affect in Play Scale-Preschool (APS-P) is one of the few standardized tools to measure pretend play. APS-P is an effective measure of symbolic play, able to detect both cognitive and affective dimensions which classically designated play in children, but often are evaluated separately and are scarcely integrated. The scale uses 5 min standardized play task with a set of toys. Recently the scale was extended from 6 to 10 years old and validated in Italy preschool and school-aged children. Some of the main limitations of this measure are that it requires videotaping, verbatim transcripts, and an extensive scoring training, which could compromise its clinical utility. For these reasons, a Brief version of the measure was developed by the original authors. This paper will focus on an APS-P Brief Version and its Extended Version through ages (6–10 years), which consists “in vivo” coding. This study aimed to evaluate construct and external validity of this APS-P Brief Version and its Extended Version in a sample of 538 Italian children aged 4-to-10 years. Confirmatory factor analysis yielded a two correlated factor structure including an affective and a cognitive factor. APS-P-BR and its Extended Version factor scores strongly related to APS-P Extended Version factor scores. Significant relationships were found with a divergent thinking task. Results suggest that the APS-P-BR and its Extended Version is an encouraging brief measure assessing pretend play using toys. It would easily substitute the APS-P and its Extended Version in clinical and research settings, reducing time and difficulties in scoring procedures and maintaining the same strengths. PMID:28553243

Structure-Based Phylogenetic Analysis of the Lipocalin Superfamily.

PubMed

Lakshmi, Balasubramanian; Mishra, Madhulika; Srinivasan, Narayanaswamy; Archunan, Govindaraju

2015-01-01

Lipocalins constitute a superfamily of extracellular proteins that are found in all three kingdoms of life. Although very divergent in their sequences and functions, they show remarkable similarity in 3-D structures. Lipocalins bind and transport small hydrophobic molecules. Earlier sequence-based phylogenetic studies of lipocalins highlighted that they have a long evolutionary history. However the molecular and structural basis of their functional diversity is not completely understood. The main objective of the present study is to understand functional diversity of the lipocalins using a structure-based phylogenetic approach. The present study with 39 protein domains from the lipocalin superfamily suggests that the clusters of lipocalins obtained by structure-based phylogeny correspond well with the functional diversity. The detailed analysis on each of the clusters and sub-clusters reveals that the 39 lipocalin domains cluster based on their mode of ligand binding though the clustering was performed on the basis of gross domain structure. The outliers in the phylogenetic tree are often from single member families. Also structure-based phylogenetic approach has provided pointers to assign putative function for the domains of unknown function in lipocalin family. The approach employed in the present study can be used in the future for the functional identification of new lipocalin proteins and may be extended to other protein families where members show poor sequence similarity but high structural similarity.

Degeneracy between nonadiabatic dark energy models and Λ CDM : Integrated Sachs-Wolfe effect and the cross correlation of CMB with galaxy clustering data

NASA Astrophysics Data System (ADS)

Velten, Hermano; Fazolo, Raquel Emy; von Marttens, Rodrigo; Gomes, Syrios

2018-05-01

As recently pointed out in [Phys. Rev. D 96, 083502 (2017), 10.1103/PhysRevD.96.083502] the evolution of the linear matter perturbations in nonadiabatic dynamical dark energy models is almost indistinguishable (quasidegenerated) to the standard Λ CDM scenario. In this work we extend this analysis to CMB observables in particular the integrated Sachs-Wolfe effect and its cross-correlation with large scale structure. We find that this feature persists for such CMB related observable reinforcing that new probes and analysis are necessary to reveal the nonadiabatic features in the dark energy sector.

A Study on Standard Competition with Network Effect Based on Evolutionary Game Model

NASA Astrophysics Data System (ADS)

Wang, Ye; Wang, Bingdong; Li, Kangning

Owing to networks widespread in modern society, standard competition with network effect is now endowed with new connotation. This paper aims to study the impact of network effect on standard competition; it is organized in the mode of "introduction-model setup-equilibrium analysis-conclusion". Starting from a well-structured model of evolutionary game, it is then extended to a dynamic analysis. This article proves both theoretically and empirically that whether or not a standard can lead the market trends depends on the utility it would bring, and the author also discusses some advisable strategies revolving around the two factors of initial position and border break.

Angular acceptance analysis of an infrared focal plane array with a built-in stationary Fourier transform spectrometer.

PubMed

Gillard, Frédéric; Ferrec, Yann; Guérineau, Nicolas; Rommeluère, Sylvain; Taboury, Jean; Chavel, Pierre

2012-06-01

Stationary Fourier transform spectrometry is an interesting concept for building reliable field or embedded spectroradiometers, especially for the mid- and far- IR. Here, a very compact configuration of a cryogenic stationary Fourier transform IR (FTIR) spectrometer is investigated, where the interferometer is directly integrated in the focal plane array (FPA). We present a theoretical analysis to explain and describe the fringe formation inside the FTIR-FPA structure when illuminated by an extended source positioned at a finite distance from the detection plane. The results are then exploited to propose a simple front lens design compatible with a handheld package.

Modeling of rolling element bearing mechanics. Computer program user's manual

NASA Technical Reports Server (NTRS)

Greenhill, Lyn M.; Merchant, David H.

1994-01-01

This report provides the user's manual for the Rolling Element Bearing Analysis System (REBANS) analysis code which determines the quasistatic response to external loads or displacement of three types of high-speed rolling element bearings: angular contact ball bearings, duplex angular contact ball bearings, and cylindrical roller bearings. The model includes the defects of bearing ring and support structure flexibility. It is comprised of two main programs: the Preprocessor for Bearing Analysis (PREBAN) which creates the input files for the main analysis program, and Flexibility Enhanced Rolling Element Bearing Analysis (FEREBA), the main analysis program. This report addresses input instructions for and features of the computer codes. A companion report addresses the theoretical basis for the computer codes. REBANS extends the capabilities of the SHABERTH (Shaft and Bearing Thermal Analysis) code to include race and housing flexibility, including such effects as dead band and preload springs.

Scaling and allometry in the building geometries of Greater London

NASA Astrophysics Data System (ADS)

Batty, M.; Carvalho, R.; Hudson-Smith, A.; Milton, R.; Smith, D.; Steadman, P.

2008-06-01

Many aggregate distributions of urban activities such as city sizes reveal scaling but hardly any work exists on the properties of spatial distributions within individual cities, notwithstanding considerable knowledge about their fractal structure. We redress this here by examining scaling relationships in a world city using data on the geometric properties of individual buildings. We first summarise how power laws can be used to approximate the size distributions of buildings, in analogy to city-size distributions which have been widely studied as rank-size and lognormal distributions following Zipf [ Human Behavior and the Principle of Least Effort (Addison-Wesley, Cambridge, 1949)] and Gibrat [ Les Inégalités Économiques (Librarie du Recueil Sirey, Paris, 1931)]. We then extend this analysis to allometric relationships between buildings in terms of their different geometric size properties. We present some preliminary analysis of building heights from the Emporis database which suggests very strong scaling in world cities. The data base for Greater London is then introduced from which we extract 3.6 million buildings whose scaling properties we explore. We examine key allometric relationships between these different properties illustrating how building shape changes according to size, and we extend this analysis to the classification of buildings according to land use types. We conclude with an analysis of two-point correlation functions of building geometries which supports our non-spatial analysis of scaling.

Radio and optical observations of 0218+357 - The smallest Einstein ring?

NASA Technical Reports Server (NTRS)

O'Dea, Christopher P.; Baum, Stefi A.; Stanghellini, Carlo; Dey, Arjun; Van Breugel, Wil; Deustua, Susana; Smith, Eric P.

1992-01-01

VLA radio observations and optical imaging and spectroscopy of the Einstein radio ring 0218+357 are presented. The ring is detected at 22.4 GHz and shows a basically similar structure at 5, 15, and 22.4 GHz. The B component has varied and was about 15 percent brighter in the 8.4 GHz data than in the data of Patnaik et al. (1992). The ring is highly polarized. A weak jetlike feature extending out roughly 2 arcsec to the southeast of component A is detected at 6 cm. The source has amorphous radio structure extending out to about 11 arcsec from the core. For an adopted redshift of 0.68, the extended radio emission is very powerful. The optical spectrum is rather red and shows no strong features. A redshift of about 0.68 is obtained. The identification is a faint compact m(r) about 20 galaxy which extends to about 4.5 arcsec (about 27 kpc). As much as 50 percent of the total light may be due to a central AGN. The observed double core and ring may be produced by an off-center radio core with extended radio structure.

Enhancements to NURBS-Based FEA Airfoil Modeler: SABER

NASA Technical Reports Server (NTRS)

Saleeb, A. F.; Trowbridge, D. A.

2003-01-01

NURBS (Non-Uniform Rational B-Splines) have become a common way for CAD programs to fit a smooth surface to discrete geometric data. This concept has been extended to allow for the fitting of analysis data in a similar manner and "attaching" the analysis data to the geometric definition of the structure. The "attaching" of analysis data to the geometric definition allows for a more seamless sharing of data between analysis disciplines. NURBS have become a useful tool in the modeling of airfoils. The use of NURBS has allowed for the development of software that easily and consistently generates plate finite element models of the midcamber surface of a given airfoil. The resulting displacements can then be applied to the original airfoil surface and the deformed shape calculated.

Division site selection in Escherichia coli involves dynamic redistribution of Min proteins within coiled structures that extend between the two cell poles

NASA Astrophysics Data System (ADS)

Shih, Yu-Ling; Le, Trung; Rothfield, Lawrence

2003-06-01

The MinCDE proteins of Escherichia coli are required for proper placement of the division septum at midcell. The site selection process requires the rapid oscillatory redistribution of the proteins from pole to pole. We report that the three Min proteins are organized into extended membrane-associated coiled structures that wind around the cell between the two poles. The pole-to-pole oscillation of the proteins reflects oscillatory changes in their distribution within the coiled structure. We also report that the E. coli MreB protein, which is required for maintaining the rod shape of the cell, also forms extended coiled structures, which are similar to the MreB structures that have previously been reported in Bacillus subtilis. The MreB and MinCDE coiled arrays do not appear identical. The results suggest that at least two functionally distinct cytoskeletal-like elements are present in E. coli and that structures of this type can undergo dynamic changes that play important roles in division site placement and possibly other aspects of the life of the cell.

Analysis of protein structures and interactions in complex food by near-infrared spectroscopy. 2. Hydrated gluten.

PubMed

Bruun, Susanne Wrang; Søndergaard, Ib; Jacobsen, Susanne

2007-09-05

Hydrated gluten, treated with various salts, was analyzed by near-infrared (NIR) spectroscopy to assess the ability of this method to reveal protein structure and interaction changes in perturbed food systems. The spectra were pretreated with second-derivative transformation and extended multiplicative signal correction for improving the band resolution and removing physical and quantitative spectral variations. Principal component analysis of the preprocessed spectra showed spectral effects that depended on salt type and concentration. Although both gluten texture and the NIR spectra were little influenced by treatment with salt solutions of low concentrations (0.1-0.2 M), they were significantly and diversely affected by treatment with 1.0 M salt solutions. Compared to hydration in water, hydration in 1.0 M sulfate salts caused spectral effects similar to a drying-out effect, which could be explained by salting-out.

Application of Inter-Simple Sequence Repeat Markers in the Analysis of Populations of the Chagas Disease Vector Triatoma infestans (Hemiptera, Reduviidae)

PubMed Central

Pérez de Rosas, Alicia R.; Restelli, María F.; Fernández, Cintia J.; Blariza, María J.; García, Beatriz A.

2017-01-01

Here we apply inter-simple sequence repeat (ISSR) markers to explore the fine-scale genetic structure and dispersal in populations of Triatoma infestans. Five selected primers from 30 primers were used to amplify ISSRs by polymerase chain reaction. A total of 90 polymorphic bands were detected across 134 individuals captured from 11 peridomestic sites from the locality of San Martín (Capayán Department, Catamarca Province, Argentina). Significant levels of genetic differentiation suggest limited gene flow among sampling sites. Spatial autocorrelation analysis confirms that dispersal occurs on the scale of ∼469 m, suggesting that insecticide spraying should be extended at least within a radius of ∼500 m around the infested area. Moreover, Bayesian clustering algorithms indicated genetic exchange among different sites analyzed, supporting the hypothesis of an important role of peridomestic structures in the process of reinfestation. PMID:28115670

Quinoline derivative containing monomeric and polymeric metal carboxylates: Synthesis, crystal structure and gas adsorption study over a 2D layered framework

NASA Astrophysics Data System (ADS)

Gayen, Saikat; Saha, Debraj; Koner, Subratanath

2018-06-01

A new supramolecular metal-carboxylate framework [Co(mqc)2]n (1), and another monomeric compound [Zn (mqc)2(H2O)] (2) (mqcH = 4-methoxy 2-quinolinecarboxylic acid) have been synthesized solvothermally and characterized by single crystal X-ray diffraction, elemental analysis, IR spectra, UV-vis spectra, powdered X-ray diffraction (PXRD) and thermogravimetric analysis. Compound 1 is a 2D coordination polymer, extended to a 3D porous supramolecular network having void space in between 2D layers. Compound 1 exhibits gas uptake capacity of N2, H2, CO2 and CH4 like small gas molecules in which moderately high uptake of H2 and CO2 takes place among the 2D MOFs. While the Zn variety, compound 2 features a one-dimensional chain like structure through strong intermolecular hydrogen-bonding.

Extending the accuracy of the SNAP interatomic potential form

NASA Astrophysics Data System (ADS)

Wood, Mitchell A.; Thompson, Aidan P.

2018-06-01

The Spectral Neighbor Analysis Potential (SNAP) is a classical interatomic potential that expresses the energy of each atom as a linear function of selected bispectrum components of the neighbor atoms. An extension of the SNAP form is proposed that includes quadratic terms in the bispectrum components. The extension is shown to provide a large increase in accuracy relative to the linear form, while incurring only a modest increase in computational cost. The mathematical structure of the quadratic SNAP form is similar to the embedded atom method (EAM), with the SNAP bispectrum components serving as counterparts to the two-body density functions in EAM. The effectiveness of the new form is demonstrated using an extensive set of training data for tantalum structures. Similar to artificial neural network potentials, the quadratic SNAP form requires substantially more training data in order to prevent overfitting. The quality of this new potential form is measured through a robust cross-validation analysis.

The dynamics and control of large flexible space structures, 6

NASA Technical Reports Server (NTRS)

Bainum, P. M.

1983-01-01

The controls analysis based on a truncated finite element model of the 122m. Hoop/Column Antenna System focuses on an analysis of the controllability as well as the synthesis of control laws. Graph theoretic techniques are employed to consider controllability for different combinations of number and locations of actuators. Control law synthesis is based on an application of the linear regulator theory as well as pole placement techniques. Placement of an actuator on the hoop can result in a noticeable improvement in the transient characteristics. The problem of orientation and shape control of an orbiting flexible beam, previously examined, is now extended to include the influence of solar radiation environmental forces. For extremely flexible thin structures modification of control laws may be required and techniques for accomplishing this are explained. Effects of environmental torques are also included in previously developed models of orbiting flexible thin platforms.

Application of the Semi-Empirical Force-Limiting Approach for the CoNNeCT SCAN Testbed

NASA Technical Reports Server (NTRS)

Staab, Lucas D.; McNelis, Mark E.; Akers, James C.; Suarez, Vicente J.; Jones, Trevor M.

2012-01-01

The semi-empirical force-limiting vibration method was developed and implemented for payload testing to limit the structural impedance mismatch (high force) that occurs during shaker vibration testing. The method has since been extended for use in analytical models. The Space Communications and Navigation Testbed (SCAN Testbed), known at NASA as, the Communications, Navigation, and Networking re-Configurable Testbed (CoNNeCT), project utilized force-limiting testing and analysis following the semi-empirical approach. This paper presents the steps in performing a force-limiting analysis and then compares the results to test data recovered during the CoNNeCT force-limiting random vibration qualification test that took place at NASA Glenn Research Center (GRC) in the Structural Dynamics Laboratory (SDL) December 19, 2010 to January 7, 2011. A compilation of lessons learned and considerations for future force-limiting tests is also included.

Chinese CO2 emission flows have reversed since the global financial crisis.

PubMed

Mi, Zhifu; Meng, Jing; Guan, Dabo; Shan, Yuli; Song, Malin; Wei, Yi-Ming; Liu, Zhu; Hubacek, Klaus

2017-11-23

This study seeks to estimate the carbon implications of recent changes in China's economic development patterns and role in global trade in the post-financial-crisis era. We utilised the latest socioeconomic datasets to compile China's 2012 multiregional input-output (MRIO) table. Environmentally extended input-output analysis and structural decomposition analysis (SDA) were applied to investigate the driving forces behind changes in CO 2 emissions embodied in China's domestic and foreign trade from 2007 to 2012. Here we show that emission flow patterns have changed greatly in both domestic and foreign trade since the financial crisis. Some economically less developed regions, such as Southwest China, have shifted from being a net emission exporter to being a net emission importer. In terms of foreign trade, emissions embodied in China's exports declined from 2007 to 2012 mainly due to changes in production structure and efficiency gains, while developing countries became the major destination of China's export emissions.

Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

NASA Astrophysics Data System (ADS)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

2013-10-01

An organic-organic salt, bis (4-nitrophenol) 2,4,6-triamino 1,3,5-triazine monohydrate (BNPM) has been prepared by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in triclinic system with centrosymmetric space group P-1. IR and Raman spectra of BNPM have been recorded and analyzed. The study has been extended to confocal Raman spectral analysis. Band assignments have been made for the melamine and p-nitrophenol molecules. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory calculations using Firefly (PC GAMESS) Version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with the experimental one. The Mulliken charges, HOMO-LUMO orbital energies are calculated and analyzed. The chemical structure of the compound was established by 1H NMR and 13C NMR spectra.

Extending existing structural identifiability analysis methods to mixed-effects models.

PubMed

Janzén, David L I; Jirstrand, Mats; Chappell, Michael J; Evans, Neil D

2018-01-01

The concept of structural identifiability for state-space models is expanded to cover mixed-effects state-space models. Two methods applicable for the analytical study of the structural identifiability of mixed-effects models are presented. The two methods are based on previously established techniques for non-mixed-effects models; namely the Taylor series expansion and the input-output form approach. By generating an exhaustive summary, and by assuming an infinite number of subjects, functions of random variables can be derived which in turn determine the distribution of the system's observation function(s). By considering the uniqueness of the analytical statistical moments of the derived functions of the random variables, the structural identifiability of the corresponding mixed-effects model can be determined. The two methods are applied to a set of examples of mixed-effects models to illustrate how they work in practice. Copyright © 2017 Elsevier Inc. All rights reserved.

Dibenzo[a,f]perylene bisimide: effects of introducing two fused rings.

PubMed

Chaolumen; Enno, Hiroki; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro

2014-11-01

Perylene bisimides (PBIs) are fascinating dyes with various potential applications. To study the effects of introducing a dibenzo-fused structure to the perylene moiety, π-extended PBI derivatives with a dibenzo-fused structure at both of the a and f bonds were synthesized. The twisted structure was characterized by X-ray crystal structure analysis. In the cyclic voltammograms, the dibenzo[a,f]-fused PBI showed a reversible oxidation wave at much less positive potential, relative to a dibenzo[a,o]-fused PBI derivative. These data indicated that two ring fusions at both sides of a naphthalene moiety, which construct a tetracene core, effectively raise the HOMO level compared to fusion of one ring at each naphthalene moiety (two anthracene cores). The dibenzo[a,f]-fused PBI derivative showed an absorption band at 735 nm with a shoulder band reaching 900 nm. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wet-chemical synthesis of nanoscale iron boride, XAFS analysis and crystallisation to α-FeB.

PubMed

Rades, Steffi; Kornowski, Andreas; Weller, Horst; Albert, Barbara

2011-06-20

The reaction of lithium tetrahydridoborate and iron bromide in high boiling ether as reaction medium produces an ultrafine, pyrophoric and magnetic precipitate. X-ray and electron diffraction proved the product to be amorphous. According to X-ray absorption fine structure spectroscopy (XAFS) the precipitate has FeB structure up to nearly two coordination spheres around an iron absorber atom. Transmission electron microscopy (TEM) confirms the ultrafine powder to be nanoscale. Subsequent annealing at 450 °C causes the atoms to arrange in a more distinct FeB structure, and further thermal treatment to 1050 °C extends the local structure to the α-modification of FeB. Between 1050 °C and 1500 °C α-FeB is transformed into β-FeB. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental and Numerical Analysis of Structural Acousticcontrol Interior Noise Reduction

NASA Technical Reports Server (NTRS)

Mei, Chuh; Bevan, Jeffrey S.

1999-01-01

The research results contained in this technical report were performed under the NASA grant entitled "Experimental and Numerical Structural Acoustic Control for Interior Noise Reduction". The report is based essentially on partial progress of the Ph.D. dissertation prepared by Jeffrey S. Bevan under direct guidance of Dr. Chuh Mei. The document presents a finite element formulation and control of sound radiated from cylindrical panels embedded with piezoceramic actuators. The extended MIN6 shallow shell element is fully electrical-structural coupled. A piezoelectric modal actuator participation (PMAP) is defined which indicates the actuator performance to each of the offending modes. Genetic algorithm is also employed to validate the sensor and actuator locations determined by the PMAP criteria. The work was conducted at the Department of Aerospace Engineering, Old Dominion University. Mr. Travis L. Turner, Structural Acoustics Branch, NASA Langley Research Center is the technical monitor.

Tunable localized surface plasmon resonances in one-dimensional h-BN/graphene/h-BN quantum-well structure

NASA Astrophysics Data System (ADS)

Kaibiao, Zhang; Hong, Zhang; Xinlu, Cheng

2016-03-01

The graphene/hexagonal boron-nitride (h-BN) hybrid structure has emerged to extend the performance of graphene-based devices. Here, we investigate the tunable plasmon in one-dimensional h-BN/graphene/h-BN quantum-well structures. The analysis of optical response and field enhancement demonstrates that these systems exhibit a distinct quantum confinement effect for the collective oscillations. The intensity and frequency of the plasmon can be controlled by the barrier width and electrical doping. Moreover, the electron doping and the hole doping lead to very different results due to the asymmetric energy band. This graphene/h-BN hybrid structure may pave the way for future optoelectronic devices. Project supported by the National Natural Science Foundation of China (Grant Nos. 11474207 and 11374217) and the Scientific Research Fund of Sichuan University of Science and Engineering, China (Grant No. 2014PY07).

Bayes-Turchin analysis of x-ray absorption data above the Fe L{sub 2,3}-edges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rossner, H. H.; Schmitz, D.; Imperia, P.

2006-10-01

Extended x-ray absorption fine structure (EXAFS) data and magnetic EXAFS (MEXAFS) data were measured at two temperatures (180 and 296 K) in the energy region of the overlapping L-edges of bcc Fe grown on a V(110) crystal surface. In combination with a Bayes-Turchin data analysis procedure these measurements enable the exploration of local crystallographic and magnetic structures. The analysis determined the atomic-like background together with the EXAFS parameters which consisted of ten shell radii, the Debye-Waller parameters, separated into structural and vibrational components, and the third cumulant of the first scattering path. The vibrational components for 97 different scattering pathsmore » were determined by a two parameter force-field model using a priori values adjusted to Born-von Karman parameters of inelastic neutron scattering data. The investigations of the system Fe/V(110) demonstrate that the simultaneous fitting of atomic background parameters and EXAFS parameters can be performed reliably. Using the L{sub 2}- and L{sub 3}-components extracted from the EXAFS analysis and the rigid-band model, the MEXAFS oscillations can only be described when the sign of the exchange energy is changed compared to the predictions of the Hedin Lundquist exchange and correlation functional.« less

The structure of {sup 117}Te and {sup 118}Te and collectivity in {sup 118}Te

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duyar, C.; Draper, J.E.; Rubel, E.C.

1993-10-01

The reactions {sup 82}Se({sup 40}Ar,5n) and {sup 76}Ge({sup 48}Ca, 6 n) (beam energies 180MeV and 190MeV, respectively) were used to populate high spins states of {sup 117}Te and {sup 118}Te, respectively. {gamma} - {gamma} coincidences, E{sub gamma}, and coincidence I{sub gamma} have been measured. Angular correlation/distribution analysis has been made. {sup 117}Te has been extended to spin {approximately} 51/2. Our results do not support the two isolated bands found by Sharma et al. {sup 118}Te has been also extended to spin {approximately}22. A rotational band was found in {sup 118}Te with an average J {approximately}42h{sup 2}/MeV, corresponding to a {Beta}more » {approximately} 0.2.« less

Local structure and polarization resistance of Ce doped SrMnO{sub 3} using extended x-ray fine structure analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryu, Jiseung; Lee, Heesoo, E-mail: heesoo@pusan.ac.kr

2014-09-15

Changes to the local structure of Sr and Mn atoms in Sr{sub 1−x}Ce{sub x}MnO{sub 3} (SCM) according to increasing Ce content and the effect of the structural change on the polarization resistance of SCM were investigated. The reduction of manganese was confirmed by the absorption edge shift of the Mn K-edge toward lower energies. The noise of oscillation in extended X-ray absorption fine structure k{sup 3}χ data at Mn K-edge reveals the distortion of the local structure of Mn atoms, and the peak that indicates the bonding length of Mn-O, Sr/Ce, and -Mn decreased with the addition of Ce contentmore » in Fourier transformations of the Mn K-edge. The distortion of the local structure at Mn atoms was affected by the reduced manganese ions having larger ionic radii than Mn{sup 4+}. Meanwhile, few distortions of local atomic structures of Sr atoms occurred, and the average nearest neighboring distances of Sr-O and Sr-Mn are ∼2.13 Å and ∼2.95 Å, respectively. The average bonding lengths of the Ce-O and Ce-Mn increased because the ionic radius of substituted Ce ion with 12 coordination number is smaller than that of Sr ion, which leads the reduction of Mn ions and the distortion of local structure at the substituted A-site. Therefore, we reasoned that the distortion of the local atomic structure at Mn atoms in MnO{sub 6} and Ce atoms in A-site is one of the causes for interrupting oxygen ion transfers as a geometric factor, which results in an increase in the polarization resistance of SCM within the Ce composition range from 10 mol. % to 30 mol. %.« less

Global Profiling and Novel Structure Discovery Using Multiple Neutral Loss/Precursor Ion Scanning Combined with Substructure Recognition and Statistical Analysis (MNPSS): Characterization of Terpene-Conjugated Curcuminoids in Curcuma longa as a Case Study.

PubMed

Qiao, Xue; Lin, Xiong-hao; Ji, Shuai; Zhang, Zheng-xiang; Bo, Tao; Guo, De-an; Ye, Min

2016-01-05

To fully understand the chemical diversity of an herbal medicine is challenging. In this work, we describe a new approach to globally profile and discover novel compounds from an herbal extract using multiple neutral loss/precursor ion scanning combined with substructure recognition and statistical analysis. Turmeric (the rhizomes of Curcuma longa L.) was used as an example. This approach consists of three steps: (i) multiple neutral loss/precursor ion scanning to obtain substructure information; (ii) targeted identification of new compounds by extracted ion current and substructure recognition; and (iii) untargeted identification using total ion current and multivariate statistical analysis to discover novel structures. Using this approach, 846 terpecurcumins (terpene-conjugated curcuminoids) were discovered from turmeric, including a number of potentially novel compounds. Furthermore, two unprecedented compounds (terpecurcumins X and Y) were purified, and their structures were identified by NMR spectroscopy. This study extended the application of mass spectrometry to global profiling of natural products in herbal medicines and could help chemists to rapidly discover novel compounds from a complex matrix.

Factor VIII Interacts with the Endocytic Receptor Low-density Lipoprotein Receptor-related Protein 1 via an Extended Surface Comprising "Hot-Spot" Lysine Residues.

PubMed

van den Biggelaar, Maartje; Madsen, Jesper J; Faber, Johan H; Zuurveld, Marleen G; van der Zwaan, Carmen; Olsen, Ole H; Stennicke, Henning R; Mertens, Koen; Meijer, Alexander B

2015-07-03

Lysine residues are implicated in driving the ligand binding to the LDL receptor family. However, it has remained unclear how specificity is regulated. Using coagulation factor VIII as a model ligand, we now study the contribution of individual lysine residues in the interaction with the largest member of the LDL receptor family, low-density lipoprotein receptor-related protein (LRP1). Using hydrogen-deuterium exchange mass spectrometry (HDX-MS) and SPR interaction analysis on a library of lysine replacement variants as two independent approaches, we demonstrate that the interaction between factor VIII (FVIII) and LRP1 occurs over an extended surface containing multiple lysine residues. None of the individual lysine residues account completely for LRP1 binding, suggesting an additive binding model. Together with structural docking studies, our data suggest that FVIII interacts with LRP1 via an extended surface of multiple lysine residues that starts at the bottom of the C1 domain and winds around the FVIII molecule. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

[Features of fractal dynamics EEG of alpha-rhythm in patients with neurotic and neurosis-like disorders].

PubMed

Shul'ts, E V; Baburin, I N; Karavaeva, T A; Karvasarskiĭ, B D; Slezin, V B

2011-01-01

Fifty-five patients with neurotic and neurosis-like disorders and 20 healthy controls, aged 17-64 years, have been examined. The basic research method was electroencephalography (EEG) with the fractal analysis of alpha power fluctuations. In patients, the changes in the fractal structure were of the same direction: the decrease of fractal indexes of low-frequency fluctuations and the increase of fractal indexes of mid-frequency fluctuations. Patients with neurosis-like disorders, in comparison to those with neurotic disorders, were characterized by more expressed (quantitative) changes in fractal structures of more extended character. It suggests the presence of deeper pathological changes in patients with neurosis-like disorders.

Registering Cortical Surfaces Based on Whole-Brain Structural Connectivity and Continuous Connectivity Analysis

PubMed Central

Gutman, Boris; Leonardo, Cassandra; Jahanshad, Neda; Hibar, Derrek; Eschen-burg, Kristian; Nir, Talia; Villalon, Julio; Thompson, Paul

2014-01-01

We present a framework for registering cortical surfaces based on tractography-informed structural connectivity. We define connectivity as a continuous kernel on the product space of the cortex, and develop a method for estimating this kernel from tractography fiber models. Next, we formulate the kernel registration problem, and present a means to non-linearly register two brains’ continuous connectivity profiles. We apply theoretical results from operator theory to develop an algorithm for decomposing the connectome into its shared and individual components. Lastly, we extend two discrete connectivity measures to the continuous case, and apply our framework to 98 Alzheimer’s patients and controls. Our measures show significant differences between the two groups. PMID:25320795

Solar X-ray Astronomy Sounding Rocket Program

NASA Technical Reports Server (NTRS)

Moses, J. Daniel

1989-01-01

Several broad objectives were pursued by the development and flight of the High Resolution Soft X-Ray Imaging Sounding Rocket Payload, followed by the analysis of the resulting data and by comparison with both ground based and space based observations from other investigators. The scientific objectives were: to study the thermal equilibrium of active region loop systems by analyzing the X-ray observations to determine electron temperatures, densities, and pressures; by recording the changes in the large scale coronal structures from the maximum and descending phases of Cycle 21 to the ascending phase of Cycle 22; and to extend the study of small scale coronal structures through the minimum of Cycle 21 with new emphasis on correlative observations.

FieldTrip: Open source software for advanced analysis of MEG, EEG, and invasive electrophysiological data.

PubMed

Oostenveld, Robert; Fries, Pascal; Maris, Eric; Schoffelen, Jan-Mathijs

2011-01-01

This paper describes FieldTrip, an open source software package that we developed for the analysis of MEG, EEG, and other electrophysiological data. The software is implemented as a MATLAB toolbox and includes a complete set of consistent and user-friendly high-level functions that allow experimental neuroscientists to analyze experimental data. It includes algorithms for simple and advanced analysis, such as time-frequency analysis using multitapers, source reconstruction using dipoles, distributed sources and beamformers, connectivity analysis, and nonparametric statistical permutation tests at the channel and source level. The implementation as toolbox allows the user to perform elaborate and structured analyses of large data sets using the MATLAB command line and batch scripting. Furthermore, users and developers can easily extend the functionality and implement new algorithms. The modular design facilitates the reuse in other software packages.

3D Printed Molecules and Extended Solid Models for Teaching Symmetry and Point Groups

ERIC Educational Resources Information Center

Scalfani, Vincent F.; Vaid, Thomas P.

2014-01-01

Tangible models help students and researchers visualize chemical structures in three dimensions (3D). 3D printing offers a unique and straightforward approach to fabricate plastic 3D models of molecules and extended solids. In this article, we prepared a series of digital 3D design files of molecular structures that will be useful for teaching…

Extended Fenske-Hall LCAO MO Calculations for Mixed Methylene Dihalides

NASA Astrophysics Data System (ADS)

Ziemann, Hartmut; Paulun, Manfred

1988-10-01

The electronic structure of mixed methylene dihalides CH2XY (X, Y = F, Cl, Br. I) has been studied using extended Fenske-Hall LCAO MO method. The comparison with available photoelec­tron spectra confirmes previous assignments of all bands with binding energies <100 eV. The electronic structure changes occurring upon varying the halogen substituents are discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emin, David, E-mail: emin@unm.edu; Akhtari, Massoud; Ellingson, B. M.

We analyze the transient-dc and frequency-dependent electrical conductivities between blocking electrodes. We extend this analysis to measurements of ions’ transport in freshly excised bulk samples of human brain tissue whose complex cellular structure produces blockages. The associated ionic charge-carrier density and diffusivity are consistent with local values for sodium cations determined non-invasively in brain tissue by MRI (NMR) and diffusion-MRI (spin-echo NMR). The characteristic separation between blockages, about 450 microns, is very much shorter than that found for sodium-doped gel proxies for brain tissue, >1 cm.

Consequences of an Abelian family symmetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramond, P.

1996-01-01

The addition of an Abelian family symmetry to the Minimal Super-symmetric Standard Model reproduces the observed hierarchies of quark and lepton masses and quark mixing angles, only if it is anomalous. Green-Schwarz compensation of its anomalies requires the electroweak mixing angle to be sin{sup 2}{theta}{sub {omega}} = 3/8 at the string scale, without any assumed GUT structure, suggesting a superstring origin for the standard model. The analysis is extended to neutrino masses and the lepton mixing matrix.

Estimation and enhancement of real-time software reliability through mutation analysis

NASA Technical Reports Server (NTRS)

Geist, Robert; Offutt, A. J.; Harris, Frederick C., Jr.

1992-01-01

A simulation-based technique for obtaining numerical estimates of the reliability of N-version, real-time software is presented. An extended stochastic Petri net is employed to represent the synchronization structure of N versions of the software, where dependencies among versions are modeled through correlated sampling of module execution times. Test results utilizing specifications for NASA's planetary lander control software indicate that mutation-based testing could hold greater potential for enhancing reliability than the desirable but perhaps unachievable goal of independence among N versions.

Sub-pattern based multi-manifold discriminant analysis for face recognition

NASA Astrophysics Data System (ADS)

Dai, Jiangyan; Guo, Changlu; Zhou, Wei; Shi, Yanjiao; Cong, Lin; Yi, Yugen

2018-04-01

In this paper, we present a Sub-pattern based Multi-manifold Discriminant Analysis (SpMMDA) algorithm for face recognition. Unlike existing Multi-manifold Discriminant Analysis (MMDA) approach which is based on holistic information of face image for recognition, SpMMDA operates on sub-images partitioned from the original face image and then extracts the discriminative local feature from the sub-images separately. Moreover, the structure information of different sub-images from the same face image is considered in the proposed method with the aim of further improve the recognition performance. Extensive experiments on three standard face databases (Extended YaleB, CMU PIE and AR) demonstrate that the proposed method is effective and outperforms some other sub-pattern based face recognition methods.

Effect of ram semen extenders and supplements on computer assisted sperm analysis parameters

USDA-ARS?s Scientific Manuscript database

A study evaluated the effects of ram semen extender and extender supplementation on computer assisted sperm analysis (CASA) parameters positively correlated with progressive motility. Semen collected from 5 rams was distributed across treatment combinations consisting of either TRIS citrate (T) or ...

CHEERS Results from NGC 3393. II. Investigating the Extended Narrow-line Region Using Deep Chandra Observations and Hubble Space Telescope Narrow-line Imaging

NASA Astrophysics Data System (ADS)

Maksym, W. Peter; Fabbiano, Giuseppina; Elvis, Martin; Karovska, Margarita; Paggi, Alessandro; Raymond, John; Wang, Junfeng; Storchi-Bergmann, Thaisa

2017-07-01

The CHandra Extended Emission Line Region Survey (CHEERS) is an X-ray study of nearby active galactic nuclei (AGNs) designed to take full advantage of Chandra's unique angular resolution by spatially resolving feedback signatures and effects. In the second paper of a series on CHEERS target NGC 3393, we examine deep high-resolution Chandra images and compare them with Hubble Space Telescope narrow-line images of [O III], [S II], and Hα, as well as previously unpublished mid-ultraviolet (MUV) images. The X-rays provide unprecedented evidence that the S-shaped arms that envelope the nuclear radio outflows extend only ≲0.″2 (≲50 pc) across. The high-resolution multiwavelength data suggest that the extended narrow-line region is a complex multiphase structure in the circumnuclear interstellar medium (ISM). Its ionization structure is highly stratified with respect to outflow-driven bubbles in the bicone and varies dramatically on scales of ˜10 pc. Multiple findings show likely contributions from shocks to the feedback in regions where radio outflows from the AGN most directly influence the ISM. These findings include Hα evidence for gas compression and extended MUV emission and are in agreement with existing STIS kinematics. Extended filamentary structure in the X-rays and optical suggests the presence of an undetected plasma component, whose existence could be tested with deeper radio observations.

Extended atmospheres of outer planet satellites and comets

NASA Technical Reports Server (NTRS)

Smyth, William H.; Combi, Michael R.

1988-01-01

In the third year of this 3-year project, research accomplishments are discussed and related to the overall objective. In the area of the distribution of hydrogen in the Saturn system, new Voyager UVS data have been discovered and are discussed. The data suggest that both Titan's hydrogen torus and Saturn's hydrogen corona play a major role in the circumplanetary gas source. Modeling analysis of this new data establishes a strong basis for continuing studies to be undertaken in a new NASA-sponsored project. In the area of the cometary atmospheres, observational data for H, O, C, and OH acquired with the Pioneer Venus Orbiter are evaluated and preliminary modeling analysis for some of the hydrogen Lyman-alpha data is presented. In addition, the importance of collisional thermalization in spatial properties and structure of the inner and extended comae of comets has been demonstrated using the recently developed particle trajectory model. The successful simulation by this model of the hydrogen Lyman-alpha image for Comet Kohoutec near perihelion, an extreme case for collisional thermalization, is particularly noteworthy.

Numerical Propulsion System Simulation: A Common Tool for Aerospace Propulsion Being Developed

NASA Technical Reports Server (NTRS)

Follen, Gregory J.; Naiman, Cynthia G.

2001-01-01

The NASA Glenn Research Center is developing an advanced multidisciplinary analysis environment for aerospace propulsion systems called the Numerical Propulsion System Simulation (NPSS). This simulation is initially being used to support aeropropulsion in the analysis and design of aircraft engines. NPSS provides increased flexibility for the user, which reduces the total development time and cost. It is currently being extended to support the Aviation Safety Program and Advanced Space Transportation. NPSS focuses on the integration of multiple disciplines such as aerodynamics, structure, and heat transfer with numerical zooming on component codes. Zooming is the coupling of analyses at various levels of detail. NPSS development includes using the Common Object Request Broker Architecture (CORBA) in the NPSS Developer's Kit to facilitate collaborative engineering. The NPSS Developer's Kit will provide the tools to develop custom components and to use the CORBA capability for zooming to higher fidelity codes, coupling to multidiscipline codes, transmitting secure data, and distributing simulations across different platforms. These powerful capabilities will extend NPSS from a zero-dimensional simulation tool to a multifidelity, multidiscipline system-level simulation tool for the full life cycle of an engine.

High Sensitivity Combined with Extended Structural Coverage of Labile Compounds via Nanoelectrospray Ionization at Subambient Pressures

DOE PAGES

Cox, Jonathan T.; Kronewitter, Scott R.; Shukla, Anil K.; ...

2014-09-15

Subambient pressure ionization with nanoelectrospray (SPIN) has proven to be effective in producing ions with high efficiency and transmitting them to low pressures for high sensitivity mass spectrometry (MS) analysis. Here we present evidence that not only does the SPIN source improve MS sensitivity but also allows for gentler ionization conditions. The gentleness of a conventional heated capillary electrospray ionization (ESI) source and the SPIN source was compared by the liquid chromatography mass spectrometry (LC-MS) analysis of colominic acid. Colominic acid is a mixture of sialic acid polymers of different lengths containing labile glycosidic linkages between monomer units necessitating amore » gentle ion source. By coupling the SPIN source with high resolution mass spectrometry and using advanced data processing tools, we demonstrate much extended coverage of sialic acid polymer chains as compared to using the conventional ESI source. Additionally we show that SPIN-LC-MS is effective in elucidating polymer features with high efficiency and high sensitivity previously unattainable by the conventional ESI-LC-MS methods.« less

Silk Electrogel Based Gastroretentive Drug Delivery System

NASA Astrophysics Data System (ADS)

Wang, Qianrui

Gastric cancer has become a global pandemic and there is imperative to develop efficient therapies. Oral dosing strategy is the preferred route to deliver drugs for treating the disease. Recent studies suggested silk electro hydrogel, which is pH sensitive and reversible, has potential as a vehicle to deliver the drug in the stomach environment. The aim of this study is to establish in vitro electrogelation e-gel based silk gel as a gastroretentive drug delivery system. We successfully extended the duration of silk e-gel in artificial gastric juice by mixing silk solution with glycerol at different ratios before the electrogelation. Structural analysis indicated the extended duration was due to the change of beta sheet content. The glycerol mixed silk e-gel had good doxorubicin loading capability and could release doxorubicin in a sustained-release profile. Doxorubicin loaded silk e-gels were applied to human gastric cancer cells. Significant cell viability decrease was observed. We believe that with further characterization as well as functional analysis, the silk e-gel system has the potential to become an effective vehicle for gastric drug delivery applications.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

NASA Astrophysics Data System (ADS)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by modelling the amorphization as a decay process. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of stishovite the formation of a transitory structure with Si largely in fivefold coordination is deduced.

Review of extended producer responsibility: A case study approach.

PubMed

Gupt, Yamini; Sahay, Samraj

2015-07-01

Principles of extended producer responsibility have been the core of most of the recent policies and legislation dealing with the end-of-life management of recyclable goods. This article makes an exploratory review of 27 cases of extended producer responsibility from developed and developing economies with and without informal recycling, to ascertain the most important aspect of extended producer responsibility. A comparative analysis of the cases with respect to role of stakeholders in the upstream and downstream stages of the extended producer responsibility has been carried out. Further, the study uses exploratory factor analysis to determine the important aspects of the extended producer responsibility in practice using 13 variables identified from the review. Findings of the comparative analysis reveal that financial responsibility of the producers and separate collecting and recycling agencies contributed significantly to the success of the extended producer responsibility-based environmental policies. Regulatory provisions, take-back responsibility and financial flow come out to be the three most important aspects of the extended producer responsibility. Presence of informal sector had a negative impact on the regulatory provisions. The outcomes of this study could serve as a guideline for designing of effective extended producer responsibility-based policies. © The Author(s) 2015.

A Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5´-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy

PubMed Central

Bhave, Devayani P.; Han, Wen-Ge; Pazicni, Samuel; Penner-Hahn, James E.; Carroll, Kate S.; Noodleman, Louis

2011-01-01

Adenosine-5’-phosphosulfate reductase (APSR) is an iron-sulfur protein that catalyses the reduction of adenosine-5’-phosphosulfate (APS) to sulfite. APSR coordinates to a [4Fe-4S] cluster via a conserved CC-X~80-CXXC motif and the cluster is essential for catalysis. Despite extensive functional, structural and spectroscopic studies, the exact role of the iron-sulfur cluster in APS reduction remains unknown. To gain an understanding into the role of the cluster, density functional theory (DFT) analysis and extended X-ray fine structure spectroscopy (EXAFS) have been performed to reveal insights into the coordination, geometry and electrostatics of the [4Fe-4S] cluster. XANES data confirms that the cluster is in the [4Fe-4S]2+ state in both native and substrate-bound APSR while EXAFS data recorded at ~0.1 Å resolution indicates that there is no significant change in the structure of the [4Fe-4S] cluster between the native and substrate-bound forms of the protein. On the other hand, DFT calculations provide an insight into the subtle differences between the geometry of the cluster in the native and APS-bound forms of APSR. A comparison between models with and without the tandem cysteine pair coordination of the cluster suggests a role for the unique coordination in facilitating a compact geometric structure and ‘fine-tuning’ the electronic structure to prevent reduction of the cluster. Further, calculations using models in which residue Lys144 is mutated to Ala confirm the finding that Lys144 serves as a crucial link in the interactions involving the [4Fe-4S] cluster and APS. PMID:21678934

Hydroelastic analysis of surface wave interaction with concentric porous and flexible cylinder systems

NASA Astrophysics Data System (ADS)

Mandal, S.; Datta, N.; Sahoo, T.

2013-10-01

The present study deals with the hydroelastic analysis of gravity wave interaction with concentric porous and flexible cylinder systems, in which the inner cylinder is rigid and the outer cylinder is porous and flexible. The problems are analyzed in finite water depth under the assumption of small amplitude water wave theory and structural response. The cylinder configurations in the present study are namely (a) surface-piercing truncated cylinders, (b) bottom-touching truncated cylinders and (c) complete submerged cylinders extended from free surface to bottom. As special cases of the concentric cylinder system, wave diffraction by (i) porous flexible cylinder and (ii) flexible floating cage with rigid bottom are analyzed. The scattering potentials are evaluated using Fourier-Bessel series expansion method and the least square approximation method. The convergence of the double series is tested numerically to determine the number of terms in the Fourier-Bessel series expansion. The effects of porosity and flexibility of the outer cylinder, in attenuating the hydrodynamic forces and dynamic overturning moments, are analyzed for various cylinder configurations and wave characteristics. A parametric study with respect to wave frequency, ratios of inner-to-outer cylinder radii, annular spacing between the two cylinders and porosities is done. In order to understand the flow distribution around the cylinders, contour plots are provided. The findings of the present study are likely to be of immense help in the design of various types of marine structures which can withstand the wave loads of varied nature in the marine environment. The theory can be easily extended to deal with a large class of problems associated with acoustic wave interaction with flexible porous structures.

Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shevtsov, M. B.; Streeter, S. D.; Thresh, S.-J.

2015-02-01

The structure of the new class of controller proteins (exemplified by C.Csp231I) in complex with its 21 bp DNA-recognition sequence is presented, and the molecular basis of sequence recognition in this class of proteins is discussed. An unusual extended spacer between the dimer binding sites suggests a novel interaction between the two C-protein dimers. In a wide variety of bacterial restriction–modification systems, a regulatory ‘controller’ protein (or C-protein) is required for effective transcription of its own gene and for transcription of the endonuclease gene found on the same operon. We have recently turned our attention to a new class ofmore » controller proteins (exemplified by C.Csp231I) that have quite novel features, including a much larger DNA-binding site with an 18 bp (∼60 Å) spacer between the two palindromic DNA-binding sequences and a very different recognition sequence from the canonical GACT/AGTC. Using X-ray crystallography, the structure of the protein in complex with its 21 bp DNA-recognition sequence was solved to 1.8 Å resolution, and the molecular basis of sequence recognition in this class of proteins was elucidated. An unusual aspect of the promoter sequence is the extended spacer between the dimer binding sites, suggesting a novel interaction between the two C-protein dimers when bound to both recognition sites correctly spaced on the DNA. A U-bend model is proposed for this tetrameric complex, based on the results of gel-mobility assays, hydrodynamic analysis and the observation of key contacts at the interface between dimers in the crystal.« less

Structural effects of radiation-induced volumetric expansion on unreinforced concrete biological shields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le Pape, Y.

Limited literature (Pomaro et al., 2011, Mirhosseini et al., 2014, Salomoni et al., 2014 and Andreev and Kapliy, 2014) is available on the structural analysis of irradiated concrete biological shield (CBS), although extended operations of nuclear powers plants may lead to critical neutron exposure above 1.0 × 10 +19 n cm ₋2. To the notable exception of Andreev and Kapliy, available structural models do not account for radiation-induced volumetric expansion, although it was found to develop important linear dimensional change of the order of 1%, and, can lead to significant concrete damage (Le Pape et al., 2015). A 1D-cylindrical model of an unreinforced CBS accounting for temperature and irradiation effects is developed. Irradiated concrete properties are characterized probabilistically using the updated database collected by Oak Ridge National Laboratory (Field et al., 2015). The overstressed concrete ratio (OCR) of the CBS, i.e., the proportion of the wall thickness being subject to stresses beyond the resistance of concrete, is derived by deterministic and probabilistic analysis assuming that irradiated concrete behaves as an elastic materials. In the bi-axial compressive zone near the reactor cavity, the OCR is limited to 5.7%, i.e., 8.6 cm (3more » $$_2^1$$ in.), whereas, in the tension zone, the OCR extends to 72%, i.e., 1.08 m (42$$_2^1$$ in.). Finally, we find that these results, valid for a maximum neutron fluence on the concrete surface of 3.1 × 10 +19 n cm ₋2 (E > 0.1 MeV) and, obtained after 80 years of operation, give an indication of the potential detrimental effects of prolonged irradiation of concrete in nuclear power plants.« less

Structural effects of radiation-induced volumetric expansion on unreinforced concrete biological shields

DOE PAGES

Le Pape, Y.

2015-11-22

Limited literature (Pomaro et al., 2011, Mirhosseini et al., 2014, Salomoni et al., 2014 and Andreev and Kapliy, 2014) is available on the structural analysis of irradiated concrete biological shield (CBS), although extended operations of nuclear powers plants may lead to critical neutron exposure above 1.0 × 10 +19 n cm ₋2. To the notable exception of Andreev and Kapliy, available structural models do not account for radiation-induced volumetric expansion, although it was found to develop important linear dimensional change of the order of 1%, and, can lead to significant concrete damage (Le Pape et al., 2015). A 1D-cylindrical model of an unreinforced CBS accounting for temperature and irradiation effects is developed. Irradiated concrete properties are characterized probabilistically using the updated database collected by Oak Ridge National Laboratory (Field et al., 2015). The overstressed concrete ratio (OCR) of the CBS, i.e., the proportion of the wall thickness being subject to stresses beyond the resistance of concrete, is derived by deterministic and probabilistic analysis assuming that irradiated concrete behaves as an elastic materials. In the bi-axial compressive zone near the reactor cavity, the OCR is limited to 5.7%, i.e., 8.6 cm (3more » $$_2^1$$ in.), whereas, in the tension zone, the OCR extends to 72%, i.e., 1.08 m (42$$_2^1$$ in.). Finally, we find that these results, valid for a maximum neutron fluence on the concrete surface of 3.1 × 10 +19 n cm ₋2 (E > 0.1 MeV) and, obtained after 80 years of operation, give an indication of the potential detrimental effects of prolonged irradiation of concrete in nuclear power plants.« less

Computational aeroelastic analysis of aircraft wings including geometry nonlinearity

NASA Astrophysics Data System (ADS)

Tian, Binyu

The objective of the present study is to show the ability of solving fluid structural interaction problems more realistically by including the geometric nonlinearity of the structure so that the aeroelastic analysis can be extended into the onset of flutter, or in the post flutter regime. A nonlinear Finite Element Analysis software is developed based on second Piola-Kirchhoff stress and Green-Lagrange strain. The second Piola-Kirchhoff stress and Green-Lagrange strain is a pair of energetically conjugated tensors that can accommodate arbitrary large structural deformations and deflection, to study the flutter phenomenon. Since both of these tensors are objective tensors, i.e., the rigid-body motion has no contribution to their components, the movement of the body, including maneuvers and deformation, can be included. The nonlinear Finite Element Analysis software developed in this study is verified with ANSYS, NASTRAN, ABAQUS, and IDEAS for the linear static, nonlinear static, linear dynamic and nonlinear dynamic structural solutions. To solve the flow problems by Euler/Navier equations, the current nonlinear structural software is then embedded into ENSAERO, which is an aeroelastic analysis software package developed at NASA Ames Research Center. The coupling of the two software, both nonlinear in their own field, is achieved by domain decomposition method first proposed by Guruswamy. A procedure has been set for the aeroelastic analysis process. The aeroelastic analysis results have been obtained for fight wing in the transonic regime for various cases. The influence dynamic pressure on flutter has been checked for a range of Mach number. Even though the current analysis matches the general aeroelastic characteristic, the numerical value not match very well with previous studies and needs farther investigations. The flutter aeroelastic analysis results have also been plotted at several time points. The influences of the deforming wing geometry can be well seen in those plots. The movement of shock changes the aerodynamic load distribution on the wing. The effect of viscous on aeroelastic analysis is also discussed. Also compared are the flutter solutions with, or without the structural nonlinearity. As can be seen, linear structural solution goes to infinite, which can not be true in reality. The nonlinear solution is more realistic and can be used to understand the fluid and structure interaction behavior, to control, or prevent disastrous events. (Abstract shortened by UMI.)

The structural basis for the functional comparability of factor VIII and the long-acting variant recombinant factor VIII Fc fusion protein

DOE PAGES

Leksa, N. C.; Chiu, P. -L.; Bou-Assaf, G. M.; ...

2017-05-03

Fusion of the human IgG 1 Fc domain to the C-terminal C2 domain of B-domain-deleted (BDD) factor VIII (FVIII) results in the recombinant FVIII Fc (rFVIIIFc) fusion protein, which has a 1.5-fold longer half-life in humans. To assess the structural properties of rFVIIIFc by comparing its constituent FVIII and Fc elements with their respective isolated components, and evaluating their structural independence within rFVIIIFc. rFVIIIFc and its isolated FVIII and Fc components were compared by the use of hydrogen–deuterium exchange mass spectrometry (HDX-MS). The structure of rFVIIIFc was also evaluated by the use of X-ray crystallography, small-angle X-ray scattering (SAXS), andmore » electron microscopy (EM). The degree of steric interference by the appended Fc domain was assessed by EM and surface plasmon resonance (SPR). HDX-MS analysis of rFVIIIFc revealed that fusion caused no structural perturbations in FVIII or Fc. The rFVIIIFc crystal structure showed that the FVIII component is indistinguishable from published BDD FVIII structures. The Fc domain was not observed, indicating high mobility. SAXS analysis was consistent with an ensemble of rigid-body models in which the Fc domain exists in a largely extended orientation relative to FVIII. Binding of Fab fragments of anti-C2 domain antibodies to BDD FVIII was visualized by EM, and the affinities of the corresponding intact antibodies for BDD FVIII and rFVIIIFc were comparable by SPR analysis. Thus, the FVIII and Fc components of rFVIIIFc are structurally indistinguishable from their isolated constituents, and show a high degree of structural independence, consistent with the functional comparability of rFVIIIFc and unmodified FVIII.« less

The structural basis for the functional comparability of Factor VIII and the long-acting variant recombinant Factor VIII Fc fusion protein

PubMed Central

Leksa, N.C.; Chiu, P.-L.; Bou-Assaf, G.M.; Quan, C.; Liu, Z.; Goodman, A.B.; Chambers, M.G.; Tsutakawa, S.E.; Hammel, M.; Peters, R.T.; Walz, T.; Kulman, J.D.

2017-01-01

SUMMARY Background Fusion of the human IgG1 Fc domain to the C-terminal C2 domain of B domain-deleted (BDD) factor VIII (FVIII) results in the rFVIIIFc fusion protein that has a 1.5-fold longer half-life in humans. Objective To assess the structural properties of rFVIIIFc by comparing its constituent FVIII and Fc elements with their respective isolated components and evaluating their structural independence within rFVIIIFc. Methods rFVIIIFc and its isolated FVIII and Fc components were compared by hydrogen-deuterium exchange mass spectrometry (HDX-MS). The structure of rFVIIIFc was also evaluated by X-ray crystallography, small-angle X-ray scattering (SAXS), and electron microscopy (EM). The degree of steric interference by the appended Fc domain was assessed by EM and surface plasmon resonance (SPR). Results HDX-MS analysis of rFVIIIFc revealed that fusion caused no structural perturbations in FVIII or Fc. The rFVIIIFc crystal structure showed that the FVIII component is indistinguishable from published BDD FVIII structures. The Fc domain was not observed, indicating high mobility. SAXS analysis was consistent with an ensemble of rigid-body models in which the Fc domain exists in a largely extended orientation relative to FVIII. Binding of Fab fragments of anti-C2 domain antibodies to BDD FVIII was visualized by EM, and the affinities of the corresponding intact antibodies for BDD FVIII and rFVIIIFc were comparable by SPR analysis. Conclusions The FVIII and Fc components of rFVIIIFc are structurally indistinguishable from their isolated constituents and exhibit a high degree of structural independence, consistent with the functional comparability of rFVIIIFc and unmodified FVIII. PMID:28397397

Three novel approaches to structural identifiability analysis in mixed-effects models.

PubMed

Janzén, David L I; Jirstrand, Mats; Chappell, Michael J; Evans, Neil D

2016-05-06

Structural identifiability is a concept that considers whether the structure of a model together with a set of input-output relations uniquely determines the model parameters. In the mathematical modelling of biological systems, structural identifiability is an important concept since biological interpretations are typically made from the parameter estimates. For a system defined by ordinary differential equations, several methods have been developed to analyse whether the model is structurally identifiable or otherwise. Another well-used modelling framework, which is particularly useful when the experimental data are sparsely sampled and the population variance is of interest, is mixed-effects modelling. However, established identifiability analysis techniques for ordinary differential equations are not directly applicable to such models. In this paper, we present and apply three different methods that can be used to study structural identifiability in mixed-effects models. The first method, called the repeated measurement approach, is based on applying a set of previously established statistical theorems. The second method, called the augmented system approach, is based on augmenting the mixed-effects model to an extended state-space form. The third method, called the Laplace transform mixed-effects extension, is based on considering the moment invariants of the systems transfer function as functions of random variables. To illustrate, compare and contrast the application of the three methods, they are applied to a set of mixed-effects models. Three structural identifiability analysis methods applicable to mixed-effects models have been presented in this paper. As method development of structural identifiability techniques for mixed-effects models has been given very little attention, despite mixed-effects models being widely used, the methods presented in this paper provides a way of handling structural identifiability in mixed-effects models previously not possible. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

The structural basis for the functional comparability of factor VIII and the long-acting variant recombinant factor VIII Fc fusion protein

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leksa, N. C.; Chiu, P. -L.; Bou-Assaf, G. M.

Fusion of the human IgG 1 Fc domain to the C-terminal C2 domain of B-domain-deleted (BDD) factor VIII (FVIII) results in the recombinant FVIII Fc (rFVIIIFc) fusion protein, which has a 1.5-fold longer half-life in humans. To assess the structural properties of rFVIIIFc by comparing its constituent FVIII and Fc elements with their respective isolated components, and evaluating their structural independence within rFVIIIFc. rFVIIIFc and its isolated FVIII and Fc components were compared by the use of hydrogen–deuterium exchange mass spectrometry (HDX-MS). The structure of rFVIIIFc was also evaluated by the use of X-ray crystallography, small-angle X-ray scattering (SAXS), andmore » electron microscopy (EM). The degree of steric interference by the appended Fc domain was assessed by EM and surface plasmon resonance (SPR). HDX-MS analysis of rFVIIIFc revealed that fusion caused no structural perturbations in FVIII or Fc. The rFVIIIFc crystal structure showed that the FVIII component is indistinguishable from published BDD FVIII structures. The Fc domain was not observed, indicating high mobility. SAXS analysis was consistent with an ensemble of rigid-body models in which the Fc domain exists in a largely extended orientation relative to FVIII. Binding of Fab fragments of anti-C2 domain antibodies to BDD FVIII was visualized by EM, and the affinities of the corresponding intact antibodies for BDD FVIII and rFVIIIFc were comparable by SPR analysis. Thus, the FVIII and Fc components of rFVIIIFc are structurally indistinguishable from their isolated constituents, and show a high degree of structural independence, consistent with the functional comparability of rFVIIIFc and unmodified FVIII.« less

New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy.

PubMed

Wang, Shaofeng; Ma, Xu; Zhang, Guoqing; Jia, Yongfeng; Hatada, Keisuke

2016-11-15

Hydrous ferric arsenate (HFA) is an important arsenic-bearing precipitate in the mining-impacted environment and hydrometallurgical tailings. However, there is no agreement on its local atomic structure. The local structure of HFA was reprobed by employing a full-potential multiple scattering (FPMS) analysis, density functional theory (DFT) calculations, and vibrational spectroscopy. The FPMS simulations indicated that the coordination number of the As-Fe, Fe-As, or both in HFA was approximately two. The DFT calculations constructed a structure of HFA with the formula of Fe(HAsO 4 ) x (H 2 AsO 4 ) 1-x (OH) y ·zH 2 O. The presence of protonated arsenate in HFA was also evidenced by vibrational spectroscopy. The As and Fe K-edge X-ray absorption near-edge structure spectra of HFA were accurately reproduced by FPMS simulations using the chain structure, which was also a reasonable model for extended X-Ray absorption fine structure fitting. The FPMS refinements indicated that the interatomic Fe-Fe distance was approximately 5.2 Å, consistent with that obtained by Mikutta et al. (Environ. Sci. Technol. 2013, 47 (7), 3122-3131) using wavelet analysis. All of the results suggested that HFA was more likely to occur as a chain with AsO 4 tetrahedra and FeO 6 octahedra connecting alternately in an isolated bidentate-type fashion. This finding is of significance for understanding the fate of arsenic and the formation of ferric arsenate minerals in an acidic environment.

Tiopronin Gold Nanoparticle Precursor Forms Aurophilic Ring Tetramer

PubMed Central

Simpson, Carrie A.; Farrow, Christopher L.; Tian, Peng; Billinge, Simon J.L.; Huffman, Brian J.; Harkness, Kellen M.; Cliffel, David E.

2010-01-01

In the two step synthesis of thiolate-monolayer protected clusters (MPCs), the first step of the reaction is a mild reduction of gold(III) by thiols that generates gold(I) thiolate complexes as intermediates. Using tiopronin (Tio) as the thiol reductant, the characterization of the intermediate Au4Tio4 complex was accomplished with various analytical and structural techniques. Nuclear magnetic resonance (NMR), elemental analysis, thermogravimetric analysis (TGA), and matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) were all consistent with a cyclic gold(I)-thiol tetramer structure, and final structural analysis was gathered through the use of powder diffraction and pair distribution functions (PDF). Crystallographic data has proved challenging for almost all previous gold(I)-thiolate complexes. Herein, a novel characterization technique when combined with standard analytical assessment to elucidate structure without crystallographic data proved invaluable to the study of these complexes. This in conjunction with other analytical techniques, in particular mass spectrometry, can elucidate a structure when crystallographic data is unavailable. In addition, luminescent properties provided evidence of aurophilicity within the molecule. The concept of aurophilicity has been introduced to describe a select group of gold-thiolate structures, which possess unique characteristics, mainly red photoluminescence and a distinct Au-Au intramolecular distance indicating a weak metal-metal bond as also evidenced by the structural model of the tetramer. Significant features of both the tetrameric and aurophilic properties of the intermediate gold(I) tiopronin complex are retained after borohydride reduction to form the MPC, including gold(I) tiopronin partial rings as capping motifs, or “staples”, and weak red photoluminescence that extends into the Near Infrared region. PMID:21067183

The effect of local atomic structure on the optical properties of GeSi self-assembled islands buried in silicon matrix

NASA Astrophysics Data System (ADS)

Demchenko, I. N.; Lawniczak-Jablonska, K.; Kret, S.; Novikov, A. V.; Laval, J.-Y.; Zak, M.; Szczepanska, A.; Yablonskiy, A. N.; Krasilnik, Z. F.

2007-03-01

The local atomic structure of GeSi self-assembled islands buried in a silicon matrix strongly influences the optical properties of such systems. In the present paper this structure was determined by x-ray absorption fine-structure (XAFS) spectroscopy and high resolution transmission electron microscopy (HRTEM) and used to build a schematic description of the band structure model. Quantitative analysis of the extended XAFS (EXAFS) spectrum was performed for three coordination shells around the Ge absorbing atom with multiple scattering taken into account. It was proved that the coordination number of elements in an alloy resulting from EXAFS analysis for all three coordination spheres (i.e. 'mixing degree' parameters) cannot be taken as the concentration of alloy but can be used together with a proper model of the alloy unit cell to calculate a realistic concentration. The fraction of Ge calculated in this way is consistent with HRTEM results. The found model of the unit cell was used to generate a x-ray absorption near edge structure spectrum by ab initio calculations. This approach yielded a spectrum in good agreement with the experimental one. The information gained from XAFS and HRTEM was then used for calculation of the band structure diagram. Results of the calculation are discussed and compared with the experimental photoluminescence spectrum.

Teachers and Technology: Development of an Extended Theory of Planned Behavior

ERIC Educational Resources Information Center

Teo, Timothy; Zhou, Mingming; Noyes, Jan

2016-01-01

This study tests the validity of an extended theory of planned behaviour (TPB) to explain teachers' intention to use technology for teaching and learning. Five hundred and ninety two participants completed a survey questionnaire measuring their responses to eight constructs which form an extended TPB. Using structural equation modelling, the…