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

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

Discriminative structural approaches for enzyme active-site prediction.

PubMed

Kato, Tsuyoshi; Nagano, Nozomi

2011-02-15

Predicting enzyme active-sites in proteins is an important issue not only for protein sciences but also for a variety of practical applications such as drug design. Because enzyme reaction mechanisms are based on the local structures of enzyme active-sites, various template-based methods that compare local structures in proteins have been developed to date. In comparing such local sites, a simple measurement, RMSD, has been used so far. This paper introduces new machine learning algorithms that refine the similarity/deviation for comparison of local structures. The similarity/deviation is applied to two types of applications, single template analysis and multiple template analysis. In the single template analysis, a single template is used as a query to search proteins for active sites, whereas a protein structure is examined as a query to discover the possible active-sites using a set of templates in the multiple template analysis. This paper experimentally illustrates that the machine learning algorithms effectively improve the similarity/deviation measurements for both the analyses.

The solution of linear systems of equations with a structural analysis code on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Overman, Andrea L.

1988-01-01

Two methods for solving linear systems of equations on the NAS Cray-2 are described. One is a direct method; the other is an iterative method. Both methods exploit the architecture of the Cray-2, particularly the vectorization, and are aimed at structural analysis applications. To demonstrate and evaluate the methods, they were installed in a finite element structural analysis code denoted the Computational Structural Mechanics (CSM) Testbed. A description of the techniques used to integrate the two solvers into the Testbed is given. Storage schemes, memory requirements, operation counts, and reformatting procedures are discussed. Finally, results from the new methods are compared with results from the initial Testbed sparse Choleski equation solver for three structural analysis problems. The new direct solvers described achieve the highest computational rates of the methods compared. The new iterative methods are not able to achieve as high computation rates as the vectorized direct solvers but are best for well conditioned problems which require fewer iterations to converge to the solution.

QSAR and 3D QSAR of inhibitors of the epidermal growth factor receptor

NASA Astrophysics Data System (ADS)

Pinto-Bazurco, Mariano; Tsakovska, Ivanka; Pajeva, Ilza

This article reports quantitative structure-activity relationships (QSAR) and 3D QSAR models of 134 structurally diverse inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase. Free-Wilson analysis was used to derive the QSAR model. It identified the substituents in aniline, the polycyclic system, and the substituents at the 6- and 7-positions of the polycyclic system as the most important structural features. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were used in the 3D QSAR modeling. The steric and electrostatic interactions proved the most important for the inhibitory effect. Both QSAR and 3D QSAR models led to consistent results. On the basis of the statistically significant models, new structures were proposed and their inhibitory activities were predicted.

Structural design and analysis for an ultra low CTE optical bench for the Hubble Space Telescope corrective optics

NASA Technical Reports Server (NTRS)

Neam, Douglas C.; Gerber, John D.

1992-01-01

The stringent stability requirements of the Corrective Optics Space Telescope Axial Replacement (COSTAR) necessitates a Deployable Optical Bench (DOB) with both a low CTE and high resonant frequency. The DOB design consists of a monocoque thin shell structure which marries metallic machined parts with graphite epoxy formed structure. Structural analysis of the DOB has been integrated into the laminate design and optimization process. Also, the structural analytical results are compared with vibration and thermal test data to assess the reliability of the analysis.

Test Cases for Modeling and Validation of Structures with Piezoelectric Actuators

NASA Technical Reports Server (NTRS)

Reaves, Mercedes C.; Horta, Lucas G.

2001-01-01

A set of benchmark test articles were developed to validate techniques for modeling structures containing piezoelectric actuators using commercially available finite element analysis packages. The paper presents the development, modeling, and testing of two structures: an aluminum plate with surface mounted patch actuators and a composite box beam with surface mounted actuators. Three approaches for modeling structures containing piezoelectric actuators using the commercially available packages: MSC/NASTRAN and ANSYS are presented. The approaches, applications, and limitations are discussed. Data for both test articles are compared in terms of frequency response functions from deflection and strain data to input voltage to the actuator. Frequency response function results using the three different analysis approaches provided comparable test/analysis results. It is shown that global versus local behavior of the analytical model and test article must be considered when comparing different approaches. Also, improper bonding of actuators greatly reduces the electrical to mechanical effectiveness of the actuators producing anti-resonance errors.

Test versus analysis: A discussion of methods

NASA Technical Reports Server (NTRS)

Butler, T. G.

1986-01-01

Some techniques for comparing structural vibration data determined from test and analysis are discussed. Orthogonality is a general category of one group, correlation is a second, synthesis is a third and matrix improvement is a fourth. Advantages and short-comings of the methods are explored with suggestions as to how they can complement one another. The purpose for comparing vibration data from test and analysis for a given structure is to find out whether each is representing the dynamic properties of the structure in the same way. Specifically, whether: mode shapes are alike; the frequencies of the modes are alike; modes appear in the same frequency sequence; and if they are not alike, how to judge which to believe.

Enabling Rapid and Robust Structural Analysis During Conceptual Design

NASA Technical Reports Server (NTRS)

Eldred, Lloyd B.; Padula, Sharon L.; Li, Wu

2015-01-01

This paper describes a multi-year effort to add a structural analysis subprocess to a supersonic aircraft conceptual design process. The desired capabilities include parametric geometry, automatic finite element mesh generation, static and aeroelastic analysis, and structural sizing. The paper discusses implementation details of the new subprocess, captures lessons learned, and suggests future improvements. The subprocess quickly compares concepts and robustly handles large changes in wing or fuselage geometry. The subprocess can rank concepts with regard to their structural feasibility and can identify promising regions of the design space. The automated structural analysis subprocess is deemed robust and rapid enough to be included in multidisciplinary conceptual design and optimization studies.

Analysis of large space structures assembly: Man/machine assembly analysis

NASA Technical Reports Server (NTRS)

1983-01-01

Procedures for analyzing large space structures assembly via three primary modes: manual, remote and automated are outlined. Data bases on each of the assembly modes and a general data base on the shuttle capabilities to support structures assembly are presented. Task element times and structure assembly component costs are given to provide a basis for determining the comparative economics of assembly alternatives. The lessons learned from simulations of space structures assembly are detailed.

Integrating protein structural dynamics and evolutionary analysis with Bio3D.

PubMed

Skjærven, Lars; Yao, Xin-Qiu; Scarabelli, Guido; Grant, Barry J

2014-12-10

Popular bioinformatics approaches for studying protein functional dynamics include comparisons of crystallographic structures, molecular dynamics simulations and normal mode analysis. However, determining how observed displacements and predicted motions from these traditionally separate analyses relate to each other, as well as to the evolution of sequence, structure and function within large protein families, remains a considerable challenge. This is in part due to the general lack of tools that integrate information of molecular structure, dynamics and evolution. Here, we describe the integration of new methodologies for evolutionary sequence, structure and simulation analysis into the Bio3D package. This major update includes unique high-throughput normal mode analysis for examining and contrasting the dynamics of related proteins with non-identical sequences and structures, as well as new methods for quantifying dynamical couplings and their residue-wise dissection from correlation network analysis. These new methodologies are integrated with major biomolecular databases as well as established methods for evolutionary sequence and comparative structural analysis. New functionality for directly comparing results derived from normal modes, molecular dynamics and principal component analysis of heterogeneous experimental structure distributions is also included. We demonstrate these integrated capabilities with example applications to dihydrofolate reductase and heterotrimeric G-protein families along with a discussion of the mechanistic insight provided in each case. The integration of structural dynamics and evolutionary analysis in Bio3D enables researchers to go beyond a prediction of single protein dynamics to investigate dynamical features across large protein families. The Bio3D package is distributed with full source code and extensive documentation as a platform independent R package under a GPL2 license from http://thegrantlab.org/bio3d/ .

Structural and vibrational spectroscopic analysis of anticancer drug mitotane using DFT method; a comparative study of its parent structure

NASA Astrophysics Data System (ADS)

Mariappan, G.; Sundaraganesan, N.

2015-04-01

A comprehensive screening of the density functional theoretical approach to structural analysis is presented in this section. DFT calculations using B3LYP/6-311++G(d,p) level of theory were found to yield results that are very comparable to experimental IR and Raman spectra. Computed geometrical parameters and harmonic vibrational wavenumbers of the fundamentals were found in satisfactory agreement with the experimental data and also its parent structure. The vibrational assignments of the normal modes were performed on the basis of the potential energy distribution (PED) calculations. It can be proven from the comparative results of mitotane and its parent structure Dichlorodiphenyldichloroethane (DDD), the intramolecular nonbonding interaction between (C1sbnd H19⋯Cl18) in the ortho position which is calculated 2.583 Å and the position of the substitution takeover the vibrational wavenumber to redshift of 47 cm-1. In addition, natural bond orbital (NBO) analysis has been performed for analyzing charge delocalization throughout the molecule. Stability of the molecule arising from hyperconjugative interactions leading to its bioactivity and charge delocalization has been analyzed. 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method and compared with published results.

Analysis of Wood Structure Connections Using Cylindrical Steel and Carbon Fiber Dowel Pins

NASA Astrophysics Data System (ADS)

Vodiannikov, Mikhail A.; Kashevarova, Galina G., Dr.

2017-06-01

In this paper, the results of the statistical analysis of corrosion processes and moisture saturation of glued laminated timber structures and their joints in corrosive environment are shown. This paper includes calculation results for dowel connections of wood structures using steel and carbon fiber reinforced plastic cylindrical dowel pins in accordance with applicable regulatory documents by means of finite element analysis in ANSYS software, as well as experimental findings. Dependence diagrams are shown; comparative analysis of the results obtained is conducted.

Design and Static Analysis of Airlesstyre to Reduce Deformation

NASA Astrophysics Data System (ADS)

Mathew, Nibin Jacob; Sahoo, Dillip Kumar; Mithun Chakravarthy, E.

2017-05-01

In this work a model of an air less tire is introduced with a replacement of natural rubber materials in place of synthetic rubber in tread and polyester in place of nylon in carcass. The construction and material study of various types of air less tyre is done by comparing with pneumatic tire. A brief structural study has been done on spokes of airless tyre and analyzed by ANSYS software. Analysis has been carried out on various structures like honey comb, Spokes, triangular and diamond with an applied load of 1200N. Comparison study has been carried out among various structures with different materials and it study shows that tyre with diamond structure with synthetic materials gives less deformation compared to other structure

Two worlds collide: Image analysis methods for quantifying structural variation in cluster molecular dynamics

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

Steenbergen, K. G., E-mail: kgsteen@gmail.com; Gaston, N.

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement formore » a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.« less

Two worlds collide: image analysis methods for quantifying structural variation in cluster molecular dynamics.

PubMed

Steenbergen, K G; Gaston, N

2014-02-14

Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement for a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.

Testing a Wheeled Landing Gear System for the TH-57 Helicopter

DTIC Science & Technology

1992-12-01

initial comparison was done using a structural analysis program, GIFTS , to simultaneously analyze an~i compare the gear systems. Experimental data was used...15 B. GIFTS PROGRAM RESULTS ............................ 15 1. Model...Element Total System ( GIFTS ) structural analysis program, which is resident oin the Aeiunauimia Euginme1ing Department computer system, an analysis

Life comparative analysis of energy consumption and CO₂ emissions of different building structural frame types.

PubMed

Kim, Sangyong; Moon, Joon-Ho; Shin, Yoonseok; Kim, Gwang-Hee; Seo, Deok-Seok

2013-01-01

The objective of this research is to quantitatively measure and compare the environmental load and construction cost of different structural frame types. Construction cost also accounts for the costs of CO₂ emissions of input materials. The choice of structural frame type is a major consideration in construction, as this element represents about 33% of total building construction costs. In this research, four constructed buildings were analyzed, with these having either reinforced concrete (RC) or steel (S) structures. An input-output framework analysis was used to measure energy consumption and CO₂ emissions of input materials for each structural frame type. In addition, the CO₂ emissions cost was measured using the trading price of CO₂ emissions on the International Commodity Exchange. This research revealed that both energy consumption and CO₂ emissions were, on average, 26% lower with the RC structure than with the S structure, and the construction costs (including the CO₂ emissions cost) of the RC structure were about 9.8% lower, compared to the S structure. This research provides insights through which the construction industry will be able to respond to the carbon market, which is expected to continue to grow in the future.

Cost-effective use of minicomputers to solve structural problems

NASA Technical Reports Server (NTRS)

Storaasli, O. O.; Foster, E. P.

1978-01-01

Minicomputers are receiving increased use throughout the aerospace industry. Until recently, their use focused primarily on process control and numerically controlled tooling applications, while their exposure to and the opportunity for structural calculations has been limited. With the increased availability of this computer hardware, the question arises as to the feasibility and practicality of carrying out comprehensive structural analysis on a minicomputer. This paper presents results on the potential for using minicomputers for structural analysis by (1) selecting a comprehensive, finite-element structural analysis system in use on large mainframe computers; (2) implementing the system on a minicomputer; and (3) comparing the performance of the minicomputers with that of a large mainframe computer for the solution to a wide range of finite element structural analysis problems.

Guaranteeing robustness of structural condition monitoring to environmental variability

NASA Astrophysics Data System (ADS)

Van Buren, Kendra; Reilly, Jack; Neal, Kyle; Edwards, Harry; Hemez, François

2017-01-01

Advances in sensor deployment and computational modeling have allowed significant strides to be recently made in the field of Structural Health Monitoring (SHM). One widely used SHM strategy is to perform a vibration analysis where a model of the structure's pristine (undamaged) condition is compared with vibration response data collected from the physical structure. Discrepancies between model predictions and monitoring data can be interpreted as structural damage. Unfortunately, multiple sources of uncertainty must also be considered in the analysis, including environmental variability, unknown model functional forms, and unknown values of model parameters. Not accounting for these sources of uncertainty can lead to false-positives or false-negatives in the structural condition assessment. To manage the uncertainty, we propose a robust SHM methodology that combines three technologies. A time series algorithm is trained using "baseline" data to predict the vibration response, compare predictions to actual measurements collected on a potentially damaged structure, and calculate a user-defined damage indicator. The second technology handles the uncertainty present in the problem. An analysis of robustness is performed to propagate this uncertainty through the time series algorithm and obtain the corresponding bounds of variation of the damage indicator. The uncertainty description and robustness analysis are both inspired by the theory of info-gap decision-making. Lastly, an appropriate "size" of the uncertainty space is determined through physical experiments performed in laboratory conditions. Our hypothesis is that examining how the uncertainty space changes throughout time might lead to superior diagnostics of structural damage as compared to only monitoring the damage indicator. This methodology is applied to a portal frame structure to assess if the strategy holds promise for robust SHM. (Publication approved for unlimited, public release on October-28-2015, LA-UR-15-28442, unclassified.)

Sensitivity Analysis of Multidisciplinary Rotorcraft Simulations

NASA Technical Reports Server (NTRS)

Wang, Li; Diskin, Boris; Biedron, Robert T.; Nielsen, Eric J.; Bauchau, Olivier A.

2017-01-01

A multidisciplinary sensitivity analysis of rotorcraft simulations involving tightly coupled high-fidelity computational fluid dynamics and comprehensive analysis solvers is presented and evaluated. An unstructured sensitivity-enabled Navier-Stokes solver, FUN3D, and a nonlinear flexible multibody dynamics solver, DYMORE, are coupled to predict the aerodynamic loads and structural responses of helicopter rotor blades. A discretely-consistent adjoint-based sensitivity analysis available in FUN3D provides sensitivities arising from unsteady turbulent flows and unstructured dynamic overset meshes, while a complex-variable approach is used to compute DYMORE structural sensitivities with respect to aerodynamic loads. The multidisciplinary sensitivity analysis is conducted through integrating the sensitivity components from each discipline of the coupled system. Numerical results verify accuracy of the FUN3D/DYMORE system by conducting simulations for a benchmark rotorcraft test model and comparing solutions with established analyses and experimental data. Complex-variable implementation of sensitivity analysis of DYMORE and the coupled FUN3D/DYMORE system is verified by comparing with real-valued analysis and sensitivities. Correctness of adjoint formulations for FUN3D/DYMORE interfaces is verified by comparing adjoint-based and complex-variable sensitivities. Finally, sensitivities of the lift and drag functions obtained by complex-variable FUN3D/DYMORE simulations are compared with sensitivities computed by the multidisciplinary sensitivity analysis, which couples adjoint-based flow and grid sensitivities of FUN3D and FUN3D/DYMORE interfaces with complex-variable sensitivities of DYMORE structural responses.

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.

Analysis of artifacts suggests DGGE should not be used for quantitative diversity analysis.

PubMed

Neilson, Julia W; Jordan, Fiona L; Maier, Raina M

2013-03-01

PCR-denaturing gradient gel electrophoresis (PCR-DGGE) is widely used in microbial ecology for the analysis of comparative community structure. However, artifacts generated during PCR-DGGE of mixed template communities impede the application of this technique to quantitative analysis of community diversity. The objective of the current study was to employ an artificial bacterial community to document and analyze artifacts associated with multiband signatures and preferential template amplification and to highlight their impacts on the use of this technique for quantitative diversity analysis. Six bacterial species (three Betaproteobacteria, two Alphaproteobacteria, and one Firmicutes) were amplified individually and in combinations with primers targeting the V7/V8 region of the 16S rRNA gene. Two of the six isolates produced multiband profiles demonstrating that band number does not correlate directly with α-diversity. Analysis of the multiple bands from one of these isolates confirmed that both bands had identical sequences which lead to the hypothesis that the multiband pattern resulted from two distinct structural conformations of the same amplicon. In addition, consistent preferential amplification was demonstrated following pairwise amplifications of the six isolates. DGGE and real time PCR analysis identified primer mismatch and PCR inhibition due to 16S rDNA secondary structure as the most probable causes of preferential amplification patterns. Reproducible DGGE community profiles generated in this study confirm that PCR-DGGE provides an excellent high-throughput tool for comparative community structure analysis, but that method-specific artifacts preclude its use for accurate comparative diversity analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

Exponential approximations in optimal design

NASA Technical Reports Server (NTRS)

Belegundu, A. D.; Rajan, S. D.; Rajgopal, J.

1990-01-01

One-point and two-point exponential functions have been developed and proved to be very effective approximations of structural response. The exponential has been compared to the linear, reciprocal and quadratic fit methods. Four test problems in structural analysis have been selected. The use of such approximations is attractive in structural optimization to reduce the numbers of exact analyses which involve computationally expensive finite element analysis.

Probabilistic Structural Analysis of the Solid Rocket Booster Aft Skirt External Fitting Modification

NASA Technical Reports Server (NTRS)

Townsend, John S.; Peck, Jeff; Ayala, Samuel

2000-01-01

NASA has funded several major programs (the Probabilistic Structural Analysis Methods Project is an example) to develop probabilistic structural analysis methods and tools for engineers to apply in the design and assessment of aerospace hardware. A probabilistic finite element software code, known as Numerical Evaluation of Stochastic Structures Under Stress, is used to determine the reliability of a critical weld of the Space Shuttle solid rocket booster aft skirt. An external bracket modification to the aft skirt provides a comparison basis for examining the details of the probabilistic analysis and its contributions to the design process. Also, analysis findings are compared with measured Space Shuttle flight data.

Molecular Dynamics Approach in Designing Thermostable Aspergillus niger Xylanase

NASA Astrophysics Data System (ADS)

Malau, N. D.; Sianturi, M.

2017-03-01

Molecular dynamics methods we have applied as a tool in designing thermostable Aspergillus niger Xylanase, by examining Root Mean Square Deviation (RMSD) and The Stability of the Secondary Structure of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Aspergillus niger xylanase (ANX) have been carried at 400K (optimum catalytic temperature) for 2.5 ns and 500K (ANX reported inactive temperature) for 2.5 ns. Analysis have shown that the Root Mean Square Deviation (RMSD) significant increase at higher temperatures compared at optimum temperature and some of the secondary structures of ANX that have been damaged at high temperature. Structural analysis revealed that the fluctuations of the α-helix and β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum temperature.

Impacts of Changing Racial Composition upon Commercial Land Use Succession and Commercial Structure: A Comparative Neighborhood Analysis.

ERIC Educational Resources Information Center

Schmidt, Charles G.; Lee, Yuk

1978-01-01

Three Denver neighborhoods are used in this comparative analysis to investigate the extent to which racial composition, population, or income influence commercial land use succession patterns and total business composition. (EB)

3D-quantitative structure-activity relationship studies on benzothiadiazepine hydroxamates as inhibitors of tumor necrosis factor-alpha converting enzyme.

PubMed

Murumkar, Prashant R; Giridhar, Rajani; Yadav, Mange Ram

2008-04-01

A set of 29 benzothiadiazepine hydroxamates having selective tumor necrosis factor-alpha converting enzyme inhibitory activity were used to compare the quality and predictive power of 3D-quantitative structure-activity relationship, comparative molecular field analysis, and comparative molecular similarity indices models for the atom-based, centroid/atom-based, data-based, and docked conformer-based alignment. Removal of two outliers from the initial training set of molecules improved the predictivity of models. Among the 3D-quantitative structure-activity relationship models developed using the above four alignments, the database alignment provided the optimal predictive comparative molecular field analysis model for the training set with cross-validated r(2) (q(2)) = 0.510, non-cross-validated r(2) = 0.972, standard error of estimates (s) = 0.098, and F = 215.44 and the optimal comparative molecular similarity indices model with cross-validated r(2) (q(2)) = 0.556, non-cross-validated r(2) = 0.946, standard error of estimates (s) = 0.163, and F = 99.785. These models also showed the best test set prediction for six compounds with predictive r(2) values of 0.460 and 0.535, respectively. The contour maps obtained from 3D-quantitative structure-activity relationship studies were appraised for activity trends for the molecules analyzed. The comparative molecular similarity indices models exhibited good external predictivity as compared with that of comparative molecular field analysis models. The data generated from the present study helped us to further design and report some novel and potent tumor necrosis factor-alpha converting enzyme inhibitors.

A Model Comparison for Characterizing Protein Motions from Structure

NASA Astrophysics Data System (ADS)

David, Charles; Jacobs, Donald

2011-10-01

A comparative study is made using three computational models that characterize native state dynamics starting from known protein structures taken from four distinct SCOP classifications. A geometrical simulation is performed, and the results are compared to the elastic network model and molecular dynamics. The essential dynamics is quantified by a direct analysis of a mode subspace constructed from ANM and a principal component analysis on both the FRODA and MD trajectories using root mean square inner product and principal angles. Relative subspace sizes and overlaps are visualized using the projection of displacement vectors on the model modes. Additionally, a mode subspace is constructed from PCA on an exemplar set of X-ray crystal structures in order to determine similarly with respect to the generated ensembles. Quantitative analysis reveals there is significant overlap across the three model subspaces and the model independent subspace. These results indicate that structure is the key determinant for native state dynamics.

A master manipulator with a remote-center-of-motion kinematic structure for a minimally invasive robotic surgical system.

PubMed

Lee, Hyunyoung; Cheon, Byungsik; Hwang, Minho; Kang, Donghoon; Kwon, Dong-Soo

2018-02-01

In robotic surgical systems, commercial master devices have limitations owing to insufficient workspace and lack of intuitiveness. To overcome these limitations, a remote-center-of-motion (RCM) master manipulator was proposed. The feasibility of the proposed RCM structure was evaluated through kinematic analysis using a conventional serial structure. Two performance comparison experiments (peg transfer task and objective transfer task) were conducted for the developed master and Phantom Omni. The kinematic analysis results showed that compared with the serial structure, the proposed RCM structure has better performance in terms of design efficiency (19%) and workspace quality (59.08%). Further, in comparison with Phantom Omni, the developed master significantly increased task efficiency and significantly decreased workload in both experiments. The comparatively better performance in terms of intuitiveness, design efficiency, and operability of the proposed master for a robotic system for minimally invasive surgery was confirmed through kinematic and experimental analysis. Copyright © 2017 John Wiley & Sons, Ltd.

Comparative analysis of on-orbit dynamic performance of several large antenna concepts

NASA Technical Reports Server (NTRS)

Andersen, G. C.; Garrett, L. B.; Calleson, R. E.

1985-01-01

A comparative analysis of the on-orbit dynamic performance of four large anetanna concepts is presented. Among the antenna concepts evaluated are: the box truss; tetrahedral truss; warp-radial rib; and the hoop and column antenna designs. The characteristics and magnitudes of the antennas' dynamic response were evaluated in terms of structural displacements and member loads incurred during various slew-rate maneuvers. The results of the dynamic response analysis are compared to the design requirements of the Land Mobile Satellite System (LMSS) with respect to surface accuracy, decenter, defocus, and angular rocking. Comments are made on the effectiveness of structural damping and the application of active controls for vibrational response reduction. Schematic illustrations of the antenna design concepts are provided.

Advances in Structural Integrity Analysis Methods for Aging Metallic Airframe Structures with Local Damage

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Newman, James C., Jr.; Harris, Charles E.; Piascik, Robert S.; Young, Richard D.; Rose, Cheryl A.

2003-01-01

Analysis methodologies for predicting fatigue-crack growth from rivet holes in panels subjected to cyclic loads and for predicting the residual strength of aluminum fuselage structures with cracks and subjected to combined internal pressure and mechanical loads are described. The fatigue-crack growth analysis methodology is based on small-crack theory and a plasticity induced crack-closure model, and the effect of a corrosive environment on crack-growth rate is included. The residual strength analysis methodology is based on the critical crack-tip-opening-angle fracture criterion that characterizes the fracture behavior of a material of interest, and a geometric and material nonlinear finite element shell analysis code that performs the structural analysis of the fuselage structure of interest. The methodologies have been verified experimentally for structures ranging from laboratory coupons to full-scale structural components. Analytical and experimental results based on these methodologies are described and compared for laboratory coupons and flat panels, small-scale pressurized shells, and full-scale curved stiffened panels. The residual strength analysis methodology is sufficiently general to include the effects of multiple-site damage on structural behavior.

Comparison of composite rotor blade models: A coupled-beam analysis and an MSC/NASTRAN finite-element model

NASA Technical Reports Server (NTRS)

Hodges, Robert V.; Nixon, Mark W.; Rehfield, Lawrence W.

1987-01-01

A methodology was developed for the structural analysis of composite rotor blades. This coupled-beam analysis is relatively simple to use compared with alternative analysis techniques. The beam analysis was developed for thin-wall single-cell rotor structures and includes the effects of elastic coupling. This paper demonstrates the effectiveness of the new composite-beam analysis method through comparison of its results with those of an established baseline analysis technique. The baseline analysis is an MSC/NASTRAN finite-element model built up from anisotropic shell elements. Deformations are compared for three linear static load cases of centrifugal force at design rotor speed, applied torque, and lift for an ideal rotor in hover. A D-spar designed to twist under axial loading is the subject of the analysis. Results indicate the coupled-beam analysis is well within engineering accuracy.

Evaluation of a cost-effective loads approach. [for Viking Orbiter light weight structural design

NASA Technical Reports Server (NTRS)

Garba, J. A.; Wada, B. K.; Bamford, R.; Trubert, M. R.

1976-01-01

A shock spectra/impedance method for loads prediction is used to estimate member loads for the Viking Orbiter, a 7800-lb interplanetary spacecraft that has been designed using transient loads analysis techniques. The transient loads analysis approach leads to a lightweight structure but requires complex and costly analyses. To reduce complexity and cost a shock spectra/impedance method is currently being used to design the Mariner Jupiter Saturn spacecraft. This method has the advantage of using low-cost in-house loads analysis techniques and typically results in more conservative structural loads. The method is evaluated by comparing the increase in Viking member loads to the loads obtained by the transient loads analysis approach. An estimate of the weight penalty incurred by using this method is presented. The paper also compares the calculated flight loads from the transient loads analyses and the shock spectra/impedance method to measured flight data.

A complementation assay for in vivo protein structure/function analysis in Physcomitrella patens (Funariaceae)

DOE PAGES

Scavuzzo-Duggan, Tess R.; Chaves, Arielle M.; Roberts, Alison W.

2015-07-14

Here, a method for rapid in vivo functional analysis of engineered proteins was developed using Physcomitrella patens. A complementation assay was designed for testing structure/function relationships in cellulose synthase (CESA) proteins. The components of the assay include (1) construction of test vectors that drive expression of epitope-tagged PpCESA5 carrying engineered mutations, (2) transformation of a ppcesa5 knockout line that fails to produce gametophores with test and control vectors, (3) scoring the stable transformants for gametophore production, (4) statistical analysis comparing complementation rates for test vectors to positive and negative control vectors, and (5) analysis of transgenic protein expression by Westernmore » blotting. The assay distinguished mutations that generate fully functional, nonfunctional, and partially functional proteins. In conclusion, compared with existing methods for in vivo testing of protein function, this complementation assay provides a rapid method for investigating protein structure/function relationships in plants.« less

Nonlinear constitutive theory for turbine engine structural analysis

NASA Technical Reports Server (NTRS)

Thompson, R. L.

1982-01-01

A number of viscoplastic constitutive theories and a conventional constitutive theory are evaluated and compared in their ability to predict nonlinear stress-strain behavior in gas turbine engine components at elevated temperatures. Specific application of these theories is directed towards the structural analysis of combustor liners undergoing transient, cyclic, thermomechanical load histories. The combustor liner material considered in this study is Hastelloy X. The material constants for each of the theories (as a function of temperature) are obtained from existing, published experimental data. The viscoplastic theories and a conventional theory are incorporated into a general purpose, nonlinear, finite element computer program. Several numerical examples of combustor liner structural analysis using these theories are given to demonstrate their capabilities. Based on the numerical stress-strain results, the theories are evaluated and compared.

Observed Family Interactions among Subtypes of Eating Disorders Using Structural Analysis of Social Behavior.

ERIC Educational Resources Information Center

Humphrey, Laura Lynn

1989-01-01

Compared observations of family interactions among anorexic, bulimic-anorexic, bulimic, and normal families (N=74 families) consisting of father, mother, and teenage daughter. Benjamin's structural analysis of social behavior methodology differentiated clinical from normal families. Found unique patterns among subtypes of eating disorders which…

Comparative Analysis of Disruption Tolerant Network Routing Simulations in the One and NS-3

DTIC Science & Technology

2017-12-01

real systems with less work compared to ns-2. In order to meet the design goals of ns-3, the entire code structure changed to a modular design . As a...NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS COMPARATIVE ANALYSIS OF DISRUPTION TOLERANT NETWORK ROUTING SIMULATIONS IN THE ONE AND NS-3...Thesis 03-23-2016 to 12-15-2017 4. TITLE AND SUBTITLE COMPARATIVE ANALYSIS OF DISRUPTION TOLERANT NETWORK ROUTING SIMULATIONS IN THE ONE AND NS-3 5

Analytical characterization of recombinant hCG and comparative studies with reference product.

PubMed

Thennati, Rajamannar; Singh, Sanjay Kumar; Nage, Nitin; Patel, Yena; Bose, Sandip Kumar; Burade, Vinod; Ranbhor, Ranjit Sudhakar

2018-01-01

Regulatory agencies recommend a stepwise approach for demonstrating biosimilarity between a proposed biosimilar and reference biological product emphasizing for functional and structural characterization to trace if there is any difference which may impact safety and efficacy. We studied the comparative structural and biological attributes of recombinant human chorionic gonadotropin (rhCG), SB005, with reference product, Ovidrel ® and Ovitrelle ® . Recombiant hCG was approved in 2000 by the US Food and Drug Administration for the induction of final follicular maturation, early luteinization in infertile women as part of assisted reproductive technology program. It is also indicated for the induction of ovulation and pregnancy in ovulatory infertile patients whose cause of infertility is not due to ovarian failure. Primary structure was studied by intact mass analysis, peptide fingerprinting, peptide mass fingerprinting and sequence coverage analysis. Higher order structure was studied by circular dichroism, ultraviolet-visible spectroscopy, fluorescence spectroscopy, and disulfide bridge analysis. Different isoforms of reference product and SB005 were identified using capillary isoelectric focusing and capillary zone electrophoresis. Glycosylation was studied by N-glycan mapping using LC-ESI-MS, point of glycosylation, released glycan analysis using ultra performance liquid chromatography and sialic acid analysis. Product related impurities such as oligomer content analysis and oxidized impurities were studied using size exclusion chromatography and reverse phase high performance liquid chromatography, respectively. Biological activity in term of potency of reference product and SB005 was studied by in vivo analysis. In this study we have compared analytical similarity of recombinant rhCG (SB005) produced at Sun Pharmaceuticals with the reference product with respect to its primary, higher order structure, isoforms, charge variants, glycosylation, sialyation pattern, pharmacodynamic and in vivo efficacy. Our studies show that the in house produced rhCG has a high degree of structural and functional similarity with the reference product available in the market.

Analytical characterization of recombinant hCG and comparative studies with reference product

PubMed Central

Thennati, Rajamannar; Singh, Sanjay Kumar; Nage, Nitin; Patel, Yena; Bose, Sandip Kumar; Burade, Vinod

2018-01-01

Introduction Regulatory agencies recommend a stepwise approach for demonstrating biosimilarity between a proposed biosimilar and reference biological product emphasizing for functional and structural characterization to trace if there is any difference which may impact safety and efficacy. We studied the comparative structural and biological attributes of recombinant human chorionic gonadotropin (rhCG), SB005, with reference product, Ovidrel® and Ovitrelle®. Recombiant hCG was approved in 2000 by the US Food and Drug Administration for the induction of final follicular maturation, early luteinization in infertile women as part of assisted reproductive technology program. It is also indicated for the induction of ovulation and pregnancy in ovulatory infertile patients whose cause of infertility is not due to ovarian failure. Materials and methods Primary structure was studied by intact mass analysis, peptide fingerprinting, peptide mass fingerprinting and sequence coverage analysis. Higher order structure was studied by circular dichroism, ultraviolet-visible spectroscopy, fluorescence spectroscopy, and disulfide bridge analysis. Different isoforms of reference product and SB005 were identified using capillary isoelectric focusing and capillary zone electrophoresis. Glycosylation was studied by N-glycan mapping using LC-ESI-MS, point of glycosylation, released glycan analysis using ultra performance liquid chromatography and sialic acid analysis. Product related impurities such as oligomer content analysis and oxidized impurities were studied using size exclusion chromatography and reverse phase high performance liquid chromatography, respectively. Biological activity in term of potency of reference product and SB005 was studied by in vivo analysis. Results and Conclusion In this study we have compared analytical similarity of recombinant rhCG (SB005) produced at Sun Pharmaceuticals with the reference product with respect to its primary, higher order structure, isoforms, charge variants, glycosylation, sialyation pattern, pharmacodynamic and in vivo efficacy. Our studies show that the in house produced rhCG has a high degree of structural and functional similarity with the reference product available in the market. PMID:29430170

rCAD: A Novel Database Schema for the Comparative Analysis of RNA.

PubMed

Ozer, Stuart; Doshi, Kishore J; Xu, Weijia; Gutell, Robin R

2011-12-31

Beyond its direct involvement in protein synthesis with mRNA, tRNA, and rRNA, RNA is now being appreciated for its significance in the overall metabolism and regulation of the cell. Comparative analysis has been very effective in the identification and characterization of RNA molecules, including the accurate prediction of their secondary structure. We are developing an integrative scalable data management and analysis system, the RNA Comparative Analysis Database (rCAD), implemented with SQL Server to support RNA comparative analysis. The platformagnostic database schema of rCAD captures the essential relationships between the different dimensions of information for RNA comparative analysis datasets. The rCAD implementation enables a variety of comparative analysis manipulations with multiple integrated data dimensions for advanced RNA comparative analysis workflows. In this paper, we describe details of the rCAD schema design and illustrate its usefulness with two usage scenarios.

rCAD: A Novel Database Schema for the Comparative Analysis of RNA

PubMed Central

Ozer, Stuart; Doshi, Kishore J.; Xu, Weijia; Gutell, Robin R.

2013-01-01

Beyond its direct involvement in protein synthesis with mRNA, tRNA, and rRNA, RNA is now being appreciated for its significance in the overall metabolism and regulation of the cell. Comparative analysis has been very effective in the identification and characterization of RNA molecules, including the accurate prediction of their secondary structure. We are developing an integrative scalable data management and analysis system, the RNA Comparative Analysis Database (rCAD), implemented with SQL Server to support RNA comparative analysis. The platformagnostic database schema of rCAD captures the essential relationships between the different dimensions of information for RNA comparative analysis datasets. The rCAD implementation enables a variety of comparative analysis manipulations with multiple integrated data dimensions for advanced RNA comparative analysis workflows. In this paper, we describe details of the rCAD schema design and illustrate its usefulness with two usage scenarios. PMID:24772454

Life Comparative Analysis of Energy Consumption and CO2 Emissions of Different Building Structural Frame Types

PubMed Central

Kim, Sangyong; Moon, Joon-Ho; Shin, Yoonseok; Kim, Gwang-Hee; Seo, Deok-Seok

2013-01-01

The objective of this research is to quantitatively measure and compare the environmental load and construction cost of different structural frame types. Construction cost also accounts for the costs of CO2 emissions of input materials. The choice of structural frame type is a major consideration in construction, as this element represents about 33% of total building construction costs. In this research, four constructed buildings were analyzed, with these having either reinforced concrete (RC) or steel (S) structures. An input-output framework analysis was used to measure energy consumption and CO2 emissions of input materials for each structural frame type. In addition, the CO2 emissions cost was measured using the trading price of CO2 emissions on the International Commodity Exchange. This research revealed that both energy consumption and CO2 emissions were, on average, 26% lower with the RC structure than with the S structure, and the construction costs (including the CO2 emissions cost) of the RC structure were about 9.8% lower, compared to the S structure. This research provides insights through which the construction industry will be able to respond to the carbon market, which is expected to continue to grow in the future. PMID:24227998

Design and Evaluation of Glass/epoxy Composite Blade and Composite Tower Applied to Wind Turbine

NASA Astrophysics Data System (ADS)

Park, Hyunbum

2018-02-01

In the study, the analysis and manufacturing of small class wind turbine blade was performed. In the structural design, firstly the loading conditions are defined through the load case analysis. The proposed structural configuration of blade has a sandwich type composite structure with the E-glass/Epoxy face sheets and the Urethane foam core for lightness, structural stability, low manufacturing cost and easy manufacturing process. And also, this work proposes a design procedure and results of tower for the small scale wind turbine systems. Structural analysis of blade including load cases, stress, deformation, buckling, vibration and fatigue life was performed using the finite element method, the load spectrum analysis and the Miner rule. Moreover, investigation on structural safety of tower was verified through structural analysis by FEM. The manufacturing of blade and tower was performed based on structural design. In order to investigate the designed structure, the structural tests were conducted and its results were compared with the calculated results. It is confirmed that the final proposed blade and tower meet the design requirements.

LoopX: A Graphical User Interface-Based Database for Comprehensive Analysis and Comparative Evaluation of Loops from Protein Structures.

PubMed

Kadumuri, Rajashekar Varma; Vadrevu, Ramakrishna

2017-10-01

Due to their crucial role in function, folding, and stability, protein loops are being targeted for grafting/designing to create novel or alter existing functionality and improve stability and foldability. With a view to facilitate a thorough analysis and effectual search options for extracting and comparing loops for sequence and structural compatibility, we developed, LoopX a comprehensively compiled library of sequence and conformational features of ∼700,000 loops from protein structures. The database equipped with a graphical user interface is empowered with diverse query tools and search algorithms, with various rendering options to visualize the sequence- and structural-level information along with hydrogen bonding patterns, backbone φ, ψ dihedral angles of both the target and candidate loops. Two new features (i) conservation of the polar/nonpolar environment and (ii) conservation of sequence and conformation of specific residues within the loops have also been incorporated in the search and retrieval of compatible loops for a chosen target loop. Thus, the LoopX server not only serves as a database and visualization tool for sequence and structural analysis of protein loops but also aids in extracting and comparing candidate loops for a given target loop based on user-defined search options.

Molecular Dynamic Simulation of Space and Earth-Grown Crystal Structures of Thermostable T1 Lipase Geobacillus zalihae Revealed a Better Structure.

PubMed

Ishak, Siti Nor Hasmah; Aris, Sayangku Nor Ariati Mohamad; Halim, Khairul Bariyyah Abd; Ali, Mohd Shukuri Mohamad; Leow, Thean Chor; Kamarudin, Nor Hafizah Ahmad; Masomian, Malihe; Rahman, Raja Noor Zaliha Raja Abd

2017-09-25

Less sedimentation and convection in a microgravity environment has become a well-suited condition for growing high quality protein crystals. Thermostable T1 lipase derived from bacterium Geobacillus zalihae has been crystallized using the counter diffusion method under space and earth conditions. Preliminary study using YASARA molecular modeling structure program for both structures showed differences in number of hydrogen bond, ionic interaction, and conformation. The space-grown crystal structure contains more hydrogen bonds as compared with the earth-grown crystal structure. A molecular dynamics simulation study was used to provide insight on the fluctuations and conformational changes of both T1 lipase structures. The analysis of root mean square deviation (RMSD), radius of gyration, and root mean square fluctuation (RMSF) showed that space-grown structure is more stable than the earth-grown structure. Space-structure also showed more hydrogen bonds and ion interactions compared to the earth-grown structure. Further analysis also revealed that the space-grown structure has long-lived interactions, hence it is considered as the more stable structure. This study provides the conformational dynamics of T1 lipase crystal structure grown in space and earth condition.

Visualization of RNA structure models within the Integrative Genomics Viewer.

PubMed

Busan, Steven; Weeks, Kevin M

2017-07-01

Analyses of the interrelationships between RNA structure and function are increasingly important components of genomic studies. The SHAPE-MaP strategy enables accurate RNA structure probing and realistic structure modeling of kilobase-length noncoding RNAs and mRNAs. Existing tools for visualizing RNA structure models are not suitable for efficient analysis of long, structurally heterogeneous RNAs. In addition, structure models are often advantageously interpreted in the context of other experimental data and gene annotation information, for which few tools currently exist. We have developed a module within the widely used and well supported open-source Integrative Genomics Viewer (IGV) that allows visualization of SHAPE and other chemical probing data, including raw reactivities, data-driven structural entropies, and data-constrained base-pair secondary structure models, in context with linear genomic data tracks. We illustrate the usefulness of visualizing RNA structure in the IGV by exploring structure models for a large viral RNA genome, comparing bacterial mRNA structure in cells with its structure under cell- and protein-free conditions, and comparing a noncoding RNA structure modeled using SHAPE data with a base-pairing model inferred through sequence covariation analysis. © 2017 Busan and Weeks; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

Advanced grid-stiffened composite shells for applications in heavy-lift helicopter rotor blade spars

NASA Astrophysics Data System (ADS)

Narayanan Nampy, Sreenivas

Modern rotor blades are constructed using composite materials to exploit their superior structural performance compared to metals. Helicopter rotor blade spars are conventionally designed as monocoque structures. Blades of the proposed Heavy Lift Helicopter are envisioned to be as heavy as 800 lbs when designed using the monocoque spar design. A new and innovative design is proposed to replace the conventional spar designs with light weight grid-stiffened composite shell. Composite stiffened shells have been known to provide excellent strength to weight ratio and damage tolerance with an excellent potential to reduce weight. Conventional stringer--rib stiffened construction is not suitable for rotor blade spars since they are limited in generating high torsion stiffness that is required for aeroelastic stability of the rotor. As a result, off-axis (helical) stiffeners must be provided. This is a new design space where innovative modeling techniques are needed. The structural behavior of grid-stiffened structures under axial, bending, and torsion loads, typically experienced by rotor blades need to be accurately predicted. The overall objective of the present research is to develop and integrate the necessary design analysis tools to conduct a feasibility study in employing grid-stiffened shells for heavy-lift rotor blade spars. Upon evaluating the limitations in state-of-the-art analytical models in predicting the axial, bending, and torsion stiffness coefficients of grid and grid-stiffened structures, a new analytical model was developed. The new analytical model based on the smeared stiffness approach was developed employing the stiffness matrices of the constituent members of the grid structure such as an arch, helical, or straight beam representing circumferential, helical, and longitudinal stiffeners. This analysis has the capability to model various stiffening configurations such as angle-grid, ortho-grid, and general-grid. Analyses were performed using an existing state-of-the-art and newly developed model to predict the torsion, bending, and axial stiffness of grid and grid-stiffened structures with various stiffening configurations. These predictions were compared to results generated using finite element analysis (FEA) to observe excellent correlation (within 6%) for a range of parameters for grid and grid-stiffened structures such as grid density, stiffener angle, and aspect ratio of the stiffener cross-section. Experimental results from cylindrical grid specimen testing were compared with analytical prediction using the new analysis. The new analysis predicted stiffness coefficients with nearly 7% error compared to FEA results. From the parametric studies conducted, it was observed that the previous state-of-the-art analysis on the other hand exhibited errors of the order of 39% for certain designs. Stability evaluations were also conducted by integrating the new analysis with established stability formulations. A design study was conducted to evaluate the potential weight savings of a simple grid-stiffened rotor blade spar structure compared to a baseline monocoque design. Various design constraints such as stiffness, strength, and stability were imposed. A manual search was conducted for design parameters such as stiffener density, stiffener angle, shell laminate, and stiffener aspect ratio that provide lightweight grid-stiffened designs compared to the baseline. It was found that a weight saving of 9.1% compared to the baseline is possible without violating any of the design constraints.

Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis

NASA Astrophysics Data System (ADS)

Woolfrey, John R.; Avery, Mitchell A.; Doweyko, Arthur M.

1998-03-01

Two three-dimensional quantitative structure-activity relationship (3D-QSAR) methods, comparative molecular field analysis (CoMFA) and hypothetical active site lattice (HASL), were compared with respect to the analysis of a training set of 154 artemisinin analogues. Five models were created, including a complete HASL and two trimmed versions, as well as two CoMFA models (leave-one-out standard CoMFA and the guided-region selection protocol). Similar r2 and q2 values were obtained by each method, although some striking differences existed between CoMFA contour maps and the HASL output. Each of the four predictive models exhibited a similar ability to predict the activity of a test set of 23 artemisinin analogues, although some differences were noted as to which compounds were described well by either model.

Development and comparison of advanced reduced-basis methods for the transient structural analysis of unconstrained structures

NASA Technical Reports Server (NTRS)

Mcgowan, David M.; Bostic, Susan W.; Camarda, Charles J.

1993-01-01

The development of two advanced reduced-basis methods, the force derivative method and the Lanczos method, and two widely used modal methods, the mode displacement method and the mode acceleration method, for transient structural analysis of unconstrained structures is presented. Two example structural problems are studied: an undamped, unconstrained beam subject to a uniformly distributed load which varies as a sinusoidal function of time and an undamped high-speed civil transport aircraft subject to a normal wing tip load which varies as a sinusoidal function of time. These example problems are used to verify the methods and to compare the relative effectiveness of each of the four reduced-basis methods for performing transient structural analyses on unconstrained structures. The methods are verified with a solution obtained by integrating directly the full system of equations of motion, and they are compared using the number of basis vectors required to obtain a desired level of accuracy and the associated computational times as comparison criteria.

Community Attachment and Satisfaction: The Role of a Community's Social Network Structure

ERIC Educational Resources Information Center

Crowe, Jessica

2010-01-01

This paper links the micro and macro levels of analysis by examining how different aspects of community sentiment are affected by one's personal ties to the community compared with the organizational network structure of the community. Using data collected from residents of six communities in Washington State, network analysis combined with…

Epistemological Beliefs across Cultures: Critique and Analysis of Beliefs Structure Studies

ERIC Educational Resources Information Center

Chan, Kwok-wai; Elliott, Robert G.

2004-01-01

The findings of epistemological beliefs studies in North America, Hong Kong and Taiwan were compared and interpreted in terms of the different cultural contexts and methodologies used in the research studies. Based on cross culture analysis a hypothesis for the structure of epistemological beliefs was proposed. Implications were also drawn for…

The effect of electromagnetic radiation of wireless connections on morphology of amniotic fluid

NASA Astrophysics Data System (ADS)

Novikov, Vsevolod O.; Titova, Natalia; Azarhov, Olexand; Wójcik, Waldemar; GrÄ dz, Å.»aklin; Mussabekova, Assel

2016-09-01

The article considers the effect of wireless networks on the morphology of amniotic fluid (AF) to demonstrate possible risks involving pregnant women. The analysis of AF thesiograms after exposure of the model fluid to Wi-Fi, 3G and β- radiation was chosen as the research method. A comparative analysis of facies structures is carried out, and depth maps of the facies structure are created. This comparative analysis permits an evaluation of the efficiency of morphological changes. It is shown that AF control facies differ in the concentration of areas with a narrow peripheral area and ellipsoidal formations of crystalloids in circumferences center. After exposure of different types of radiation onto AF, the facies structures collapse and form their own conglomerates. The obtained results show that the considered types of radiation have a negative effect on AF.

Finite element normal mode analysis of resistance welding jointed of dissimilar plate hat structure

NASA Astrophysics Data System (ADS)

Nazri, N. A.; Sani, M. S. M.

2017-10-01

Structural joints offer connection between structural element (beam, plate, solid etc.) in order to build a whole assembled structure. The complex behaviour of connecting elements plays a valuable role in characteristics of dynamic such as natural frequencies and mode shapes. In automotive structures, the trustworthiness arrangement of the structure extremely depends on joints. In this paper, top hat structure is modelled and designed with spot welding joint using dissimilar materials which is mild steel 1010 and stainless steel 304, using finite element software. Different types of connector elements such as rigid body element (RBE2), welding joint element (CWELD), and bar element (CBAR) are applied to represent real connection between two dissimilar plates. Normal mode analysis is simulated with different types of joining element in order to determine modal properties. Natural frequencies using RBE2, CBAR and CWELD are compared to equivalent rigid body method. Connection that gives the lowest percentage error among these three will be selected as the most reliable joining for resistance spot weld. From the analysis, it is shown that CWELD is better compared to others in term of weld joining among dissimilar plate materials. It is expected that joint modelling of finite element plays significant role in structural dynamics.

Comparative analysis of breakdown mechanism in thin SiO2 oxide films in metal-oxide-semiconductor structures under the action of heavy charged particles and a pulsed voltage

NASA Astrophysics Data System (ADS)

Zinchenko, V. F.; Lavrent'ev, K. V.; Emel'yanov, V. V.; Vatuev, A. S.

2016-02-01

Regularities in the breakdown of thin SiO2 oxide films in metal-oxide-semiconductors structures of power field-effect transistors under the action of single heavy charged particles and a pulsed voltage are studied experimentally. Using a phenomenological approach, we carry out comparative analysis of physical mechanisms and energy criteria of the SiO2 breakdown in extreme conditions of excitation of the electron subsystem in the subpicosecond time range.

Progressive Failure Analysis Methodology for Laminated Composite Structures

NASA Technical Reports Server (NTRS)

Sleight, David W.

1999-01-01

A progressive failure analysis method has been developed for predicting the failure of laminated composite structures under geometrically nonlinear deformations. The progressive failure analysis uses C(exp 1) shell elements based on classical lamination theory to calculate the in-plane stresses. Several failure criteria, including the maximum strain criterion, Hashin's criterion, and Christensen's criterion, are used to predict the failure mechanisms and several options are available to degrade the material properties after failures. The progressive failure analysis method is implemented in the COMET finite element analysis code and can predict the damage and response of laminated composite structures from initial loading to final failure. The different failure criteria and material degradation methods are compared and assessed by performing analyses of several laminated composite structures. Results from the progressive failure method indicate good correlation with the existing test data except in structural applications where interlaminar stresses are important which may cause failure mechanisms such as debonding or delaminations.

Python package for model STructure ANalysis (pySTAN)

NASA Astrophysics Data System (ADS)

Van Hoey, Stijn; van der Kwast, Johannes; Nopens, Ingmar; Seuntjens, Piet

2013-04-01

The selection and identification of a suitable hydrological model structure is more than fitting parameters of a model structure to reproduce a measured hydrograph. The procedure is highly dependent on various criteria, i.e. the modelling objective, the characteristics and the scale of the system under investigation as well as the available data. Rigorous analysis of the candidate model structures is needed to support and objectify the selection of the most appropriate structure for a specific case (or eventually justify the use of a proposed ensemble of structures). This holds both in the situation of choosing between a limited set of different structures as well as in the framework of flexible model structures with interchangeable components. Many different methods to evaluate and analyse model structures exist. This leads to a sprawl of available methods, all characterized by different assumptions, changing conditions of application and various code implementations. Methods typically focus on optimization, sensitivity analysis or uncertainty analysis, with backgrounds from optimization, machine-learning or statistics amongst others. These methods also need an evaluation metric (objective function) to compare the model outcome with some observed data. However, for current methods described in literature, implementations are not always transparent and reproducible (if available at all). No standard procedures exist to share code and the popularity (and amount of applications) of the methods is sometimes more dependent on the availability than the merits of the method. Moreover, new implementations of existing methods are difficult to verify and the different theoretical backgrounds make it difficult for environmental scientists to decide about the usefulness of a specific method. A common and open framework with a large set of methods can support users in deciding about the most appropriate method. Hence, it enables to simultaneously apply and compare different methods on a fair basis. We developed and present pySTAN (python framework for STructure Analysis), a python package containing a set of functions for model structure evaluation to provide the analysis of (hydrological) model structures. A selected set of algorithms for optimization, uncertainty and sensitivity analysis is currently available, together with a set of evaluation (objective) functions and input distributions to sample from. The methods are implemented model-independent and the python language provides the wrapper functions to apply administer external model codes. Different objective functions can be considered simultaneously with both statistical metrics and more hydrology specific metrics. By using so-called reStructuredText (sphinx documentation generator) and Python documentation strings (docstrings), the generation of manual pages is semi-automated and a specific environment is available to enhance both the readability and transparency of the code. It thereby enables a larger group of users to apply and compare these methods and to extend the functionalities.

Developing a Multiplexed Quantitative Cross-Linking Mass Spectrometry Platform for Comparative Structural Analysis of Protein Complexes.

PubMed

Yu, Clinton; Huszagh, Alexander; Viner, Rosa; Novitsky, Eric J; Rychnovsky, Scott D; Huang, Lan

2016-10-18

Cross-linking mass spectrometry (XL-MS) represents a recently popularized hybrid methodology for defining protein-protein interactions (PPIs) and analyzing structures of large protein assemblies. In particular, XL-MS strategies have been demonstrated to be effective in elucidating molecular details of PPIs at the peptide resolution, providing a complementary set of structural data that can be utilized to refine existing complex structures or direct de novo modeling of unknown protein structures. To study structural and interaction dynamics of protein complexes, quantitative cross-linking mass spectrometry (QXL-MS) strategies based on isotope-labeled cross-linkers have been developed. Although successful, these approaches are mostly limited to pairwise comparisons. In order to establish a robust workflow enabling comparative analysis of multiple cross-linked samples simultaneously, we have developed a multiplexed QXL-MS strategy, namely, QMIX (Quantitation of Multiplexed, Isobaric-labeled cross (X)-linked peptides) by integrating MS-cleavable cross-linkers with isobaric labeling reagents. This study has established a new analytical platform for quantitative analysis of cross-linked peptides, which can be directly applied for multiplexed comparisons of the conformational dynamics of protein complexes and PPIs at the proteome scale in future studies.

A Comparative Analysis of the Costs of Administration of an OSCE.

ERIC Educational Resources Information Center

Cusimano, Michael D.; And Others

1994-01-01

A study compared the costs of a six-station structured oral examination and an objective structured clinical examination (OSCE) for a surgery clerkship, assessing both faculty and materials costs. The OSCE was found to be more time consuming and expensive. Cost-cutting measures and guidelines to assist medical schools in selecting test type are…

Change Analysis in Structural Laser Scanning Point Clouds: The Baseline Method

PubMed Central

Shen, Yueqian; Lindenbergh, Roderik; Wang, Jinhu

2016-01-01

A method is introduced for detecting changes from point clouds that avoids registration. For many applications, changes are detected between two scans of the same scene obtained at different times. Traditionally, these scans are aligned to a common coordinate system having the disadvantage that this registration step introduces additional errors. In addition, registration requires stable targets or features. To avoid these issues, we propose a change detection method based on so-called baselines. Baselines connect feature points within one scan. To analyze changes, baselines connecting corresponding points in two scans are compared. As feature points either targets or virtual points corresponding to some reconstructable feature in the scene are used. The new method is implemented on two scans sampling a masonry laboratory building before and after seismic testing, that resulted in damages in the order of several centimeters. The centres of the bricks of the laboratory building are automatically extracted to serve as virtual points. Baselines connecting virtual points and/or target points are extracted and compared with respect to a suitable structural coordinate system. Changes detected from the baseline analysis are compared to a traditional cloud to cloud change analysis demonstrating the potential of the new method for structural analysis. PMID:28029121

Change Analysis in Structural Laser Scanning Point Clouds: The Baseline Method.

PubMed

Shen, Yueqian; Lindenbergh, Roderik; Wang, Jinhu

2016-12-24

A method is introduced for detecting changes from point clouds that avoids registration. For many applications, changes are detected between two scans of the same scene obtained at different times. Traditionally, these scans are aligned to a common coordinate system having the disadvantage that this registration step introduces additional errors. In addition, registration requires stable targets or features. To avoid these issues, we propose a change detection method based on so-called baselines. Baselines connect feature points within one scan. To analyze changes, baselines connecting corresponding points in two scans are compared. As feature points either targets or virtual points corresponding to some reconstructable feature in the scene are used. The new method is implemented on two scans sampling a masonry laboratory building before and after seismic testing, that resulted in damages in the order of several centimeters. The centres of the bricks of the laboratory building are automatically extracted to serve as virtual points. Baselines connecting virtual points and/or target points are extracted and compared with respect to a suitable structural coordinate system. Changes detected from the baseline analysis are compared to a traditional cloud to cloud change analysis demonstrating the potential of the new method for structural analysis.

Aerodynamic and structural studies of joined-wing aircraft

NASA Technical Reports Server (NTRS)

Kroo, Ilan; Smith, Stephen; Gallman, John

1991-01-01

A method for rapidly evaluating the structural and aerodynamic characteristics of joined-wing aircraft was developed and used to study the fundamental advantages attributed to this concept. The technique involves a rapid turnaround aerodynamic analysis method for computing minimum trimmed drag combined with a simple structural optimization. A variety of joined-wing designs are compared on the basis of trimmed drag, structural weight, and, finally, trimmed drag with fixed structural weight. The range of joined-wing design parameters resulting in best cruise performance is identified. Structural weight savings and net drag reductions are predicted for certain joined-wing configurations compared with conventional cantilever-wing configurations.

Analysis of complex elastic structures by a Rayleigh-Ritz component modes method using Lagrange multipliers. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Klein, L. R.

1974-01-01

The free vibrations of elastic structures of arbitrary complexity were analyzed in terms of their component modes. The method was based upon the use of the normal unconstrained modes of the components in a Rayleigh-Ritz analysis. The continuity conditions were enforced by means of Lagrange Multipliers. Examples of the structures considered are: (1) beams with nonuniform properties; (2) airplane structures with high or low aspect ratio lifting surface components; (3) the oblique wing airplane; and (4) plate structures. The method was also applied to the analysis of modal damping of linear elastic structures. Convergence of the method versus the number of modes per component and/or the number of components is discussed and compared to more conventional approaches, ad-hoc methods, and experimental results.

Comparison of measured and calculated temperatures for a Mach 8 hypersonic wing test structure

NASA Technical Reports Server (NTRS)

Quinn, R. D.; Fields, R. A.

1986-01-01

Structural temperatures were measured on a hypersonic wing test structure during a heating test that simulated a Mach 8 thermal environment. Measured data are compared to design calculations and temperature predictions obtained from a finite-difference thermal analysis.

Wayside Noise of Elevated Rail Transit Structures : Analysis of Published Data and Supplementary Measurements

DOT National Transportation Integrated Search

1980-12-01

Elevated structures that carry rail traffic are classified in terms of their noise-radiating components and are compared to similar trains operating at grade, according to how much more noise results from trains running on elevated structures. : The ...

In situ structural analysis of the Yersinia enterocolitica injectisome

PubMed Central

Kudryashev, Mikhail; Stenta, Marco; Schmelz, Stefan; Amstutz, Marlise; Wiesand, Ulrich; Castaño-Díez, Daniel; Degiacomi, Matteo T; Münnich, Stefan; Bleck, Christopher KE; Kowal, Julia; Diepold, Andreas; Heinz, Dirk W; Dal Peraro, Matteo; Cornelis, Guy R; Stahlberg, Henning

2013-01-01

Injectisomes are multi-protein transmembrane machines allowing pathogenic bacteria to inject effector proteins into eukaryotic host cells, a process called type III secretion. Here we present the first three-dimensional structure of Yersinia enterocolitica and Shigella flexneri injectisomes in situ and the first structural analysis of the Yersinia injectisome. Unexpectedly, basal bodies of injectisomes inside the bacterial cells showed length variations of 20%. The in situ structures of the Y. enterocolitica and S. flexneri injectisomes had similar dimensions and were significantly longer than the isolated structures of related injectisomes. The crystal structure of the inner membrane injectisome component YscD appeared elongated compared to a homologous protein, and molecular dynamics simulations documented its elongation elasticity. The ring-shaped secretin YscC at the outer membrane was stretched by 30–40% in situ, compared to its isolated liposome-embedded conformation. We suggest that elasticity is critical for some two-membrane spanning protein complexes to cope with variations in the intermembrane distance. DOI: http://dx.doi.org/10.7554/eLife.00792.001 PMID:23908767

Natural frequency and vibration analysis of jacket type foundation for offshore wind power

NASA Astrophysics Data System (ADS)

Hung, Y.-C.; Chang, Y.-Y.; Chen, S.-Y.

2017-12-01

There are various types of foundation structure for offshore wind power, engineers may assess the condition of ocean at wind farm, and arrange the transportation, installation of each structure members, furthermore, considering the ability of manufacture steel structure as well, then make an optimum design. To design jacket offshore structure, unlike onshore cases, offshore structure also need to estimate the wave excitation effect. The aim of this paper is to study the difference of natural frequency between different kinds of structural stiffness and discuss the effect of different setting of boundary condition during analysis, besides, compare this value with the natural frequency of sea wave, in order to avoid the resonance effect. In this paper, the finite element analysis software ABAQUS is used to model and analyze the natural vibration behavior of the jacket structure.

Effects of Hormone Therapy on Brain Volumes Changes of Postmenopausal Women Revealed by Optimally-Discriminative Voxel-Based Morphometry

PubMed Central

Zhang, Tianhao; Casanova, Ramon; Resnick, Susan M.; Manson, JoAnn E.; Baker, Laura D.; Padual, Claudia B.; Kuller, Lewis H.; Bryan, R. Nick; Espeland, Mark A.; Davatzikos, Christos

2016-01-01

Backgrounds The Women's Health Initiative Memory Study Magnetic Resonance Imaging (WHIMS-MRI) provides an opportunity to evaluate how menopausal hormone therapy (HT) affects the structure of older women’s brains. Our earlier work based on region of interest (ROI) analysis demonstrated potential structural changes underlying adverse effects of HT on cognition. However, the ROI-based analysis is limited in statistical power and precision, and cannot provide fine-grained mapping of whole-brain changes. Methods We aimed to identify local structural differences between HT and placebo groups from WHIMS-MRI in a whole-brain refined level, by using a novel method, named Optimally-Discriminative Voxel-Based Analysis (ODVBA). ODVBA is a recently proposed imaging pattern analysis approach for group comparisons utilizing a spatially adaptive analysis scheme to accurately locate areas of group differences, thereby providing superior sensitivity and specificity to detect the structural brain changes over conventional methods. Results Women assigned to HT treatments had significant Gray Matter (GM) losses compared to the placebo groups in the anterior cingulate and the adjacent medial frontal gyrus, and the orbitofrontal cortex, which persisted after multiple comparison corrections. There were no regions where HT was significantly associated with larger volumes compared to placebo, although a trend of marginal significance was found in the posterior cingulate cortical area. The CEE-Alone and CEE+MPA groups, although compared with different placebo controls, demonstrated similar effects according to the spatial patterns of structural changes. Conclusions HT had adverse effects on GM volumes and risk for cognitive impairment and dementia in older women. These findings advanced our understanding of the neurobiological underpinnings of HT effects. PMID:26974440

Comparative analysis of structural concrete Quality Assurance practices on nine nuclear and three fossil fuel power plant construction projects. Final summary report

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

Willenbrock, J.H.; Thomas, H.R. Jr.; Burati, J.J. Jr.

1978-12-01

A summary of two reports, COO/4120-1 and COO/4120-2, is given. A comparative analysis was made of the Quality Assurance practices related to the structural concrete phase on nine nuclear and three fossil fuel power plant projects which are (or have been) under construction in the United States in the past ten years. For the nuclear projects the analysis identified the response of each Quality Assurance program to the applicable criteria of 10 CFR Part 50, Appendix B as well as to the pertinent regulatory requirements and industry standards. For the fossil projects the analysis identified the response of each Qualitymore » Assurance program to criteria similar to those which were applicable in the nuclear situation. The major emphasis was placed on the construction aspects of the structural concrete phase of each project. The engineering and design aspects were examined whenever they interfaced with the construction aspects.« less

Structural Performance’s Optimally Analysing and Implementing Based on ANSYS Technology

NASA Astrophysics Data System (ADS)

Han, Na; Wang, Xuquan; Yue, Haifang; Sun, Jiandong; Wu, Yongchun

2017-06-01

Computer-aided Engineering (CAE) is a hotspot both in academic field and in modern engineering practice. Analysis System(ANSYS) simulation software for its excellent performance become outstanding one in CAE family, it is committed to the innovation of engineering simulation to help users to shorten the design process, improve product innovation and performance. Aimed to explore a structural performance’s optimally analyzing model for engineering enterprises, this paper introduced CAE and its development, analyzed the necessity for structural optimal analysis as well as the framework of structural optimal analysis on ANSYS Technology, used ANSYS to implement a reinforced concrete slab structural performance’s optimal analysis, which was display the chart of displacement vector and the chart of stress intensity. Finally, this paper compared ANSYS software simulation results with the measured results,expounded that ANSYS is indispensable engineering calculation tools.

Efficient finite element modelling for the investigation of the dynamic behaviour of a structure with bolted joints

NASA Astrophysics Data System (ADS)

Omar, R.; Rani, M. N. Abdul; Yunus, M. A.; Mirza, W. I. I. Wan Iskandar; Zin, M. S. Mohd

2018-04-01

A simple structure with bolted joints consists of the structural components, bolts and nuts. There are several methods to model the structures with bolted joints, however there is no reliable, efficient and economic modelling methods that can accurately predict its dynamics behaviour. Explained in this paper is an investigation that was conducted to obtain an appropriate modelling method for bolted joints. This was carried out by evaluating four different finite element (FE) models of the assembled plates and bolts namely the solid plates-bolts model, plates without bolt model, hybrid plates-bolts model and simplified plates-bolts model. FE modal analysis was conducted for all four initial FE models of the bolted joints. Results of the FE modal analysis were compared with the experimental modal analysis (EMA) results. EMA was performed to extract the natural frequencies and mode shapes of the test physical structure with bolted joints. Evaluation was made by comparing the number of nodes, number of elements, elapsed computer processing unit (CPU) time, and the total percentage of errors of each initial FE model when compared with EMA result. The evaluation showed that the simplified plates-bolts model could most accurately predict the dynamic behaviour of the structure with bolted joints. This study proved that the reliable, efficient and economic modelling of bolted joints, mainly the representation of the bolting, has played a crucial element in ensuring the accuracy of the dynamic behaviour prediction.

Effect of Helicopter Blade Dynamics on Blade Aerodynamic and Structural Loads

NASA Technical Reports Server (NTRS)

Heffernan, Ruth M.

1987-01-01

The effect of rotor blade dynamics on aerodynamic and structural loads is examined for a conventional, main- rotor helicopter using both a comprehensive rotorcraft analysis (CAMRAD) and night test data. The impact of blade dynamics on blade section lift-coefficient time histories is studied by comparing predictions from both a rigid blade analysis and an elastic blade analysis with helicopter flight test data. The elastic blade analysis better predicts high-frequency behavior of section lift. In addition, components of the blade angle of attack, such as elastic blade twist, blade nap rate, blade slope velocity, and inflow, are examined as a function of blade mode. Elastic blade motion affects the blade angle of attack by a few tenths of a degree, and up to the sixth rotor harmonic. A similar study of the influence of blade dynamics on bending and torsion moments was also conducted. The modal analysis of the predicted blade structural loads suggested that five elastic bending deg of freedom (four flap and one lag) and three elastic torsion deg of freedom contributed to calculations of the blade structural loads. However, when structural bending load predictions from several elastic blade analyses were compared with flight test data, an elastic blade model consisting of only three elastic bending modes (first and second flap, and first lag), and two elastic torsion modes was found to be sufficient for maximum correlation.

Two-dimensional auto-correlation analysis and Fourier-transform analysis of second-harmonic-generation image for quantitative analysis of collagen fiber in human facial skin

NASA Astrophysics Data System (ADS)

Ogura, Yuki; Tanaka, Yuji; Hase, Eiji; Yamashita, Toyonobu; Yasui, Takeshi

2018-02-01

We compare two-dimensional auto-correlation (2D-AC) analysis and two-dimensional Fourier transform (2D-FT) for evaluation of age-dependent structural change of facial dermal collagen fibers caused by intrinsic aging and extrinsic photo-aging. The age-dependent structural change of collagen fibers for female subjects' cheek skin in their 20s, 40s, and 60s were more noticeably reflected in 2D-AC analysis than in 2D-FT analysis. Furthermore, 2D-AC analysis indicated significantly higher correlation with the skin elasticity measured by Cutometer® than 2D-AC analysis. 2D-AC analysis of SHG image has a high potential for quantitative evaluation of not only age-dependent structural change of collagen fibers but also skin elasticity.

Case Problems for Problem-Based Pedagogical Approaches: A Comparative Analysis

ERIC Educational Resources Information Center

Dabbagh, Nada; Dass, Susan

2013-01-01

A comparative analysis of 51 case problems used in five problem-based pedagogical models was conducted to examine whether there are differences in their characteristics and the implications of such differences on the selection and generation of ill-structured case problems. The five pedagogical models were: situated learning, goal-based scenario,…

Composite Structure Modeling and Analysis of Advanced Aircraft Fuselage Concepts

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek; Sorokach, Michael R.

2015-01-01

NASA Environmentally Responsible Aviation (ERA) project and the Boeing Company are collabrating to advance the unitized damage arresting composite airframe technology with application to the Hybrid-Wing-Body (HWB) aircraft. The testing of a HWB fuselage section with Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) construction is presently being conducted at NASA Langley. Based on lessons learned from previous HWB structural design studies, improved finite-element models (FEM) of the HWB multi-bay and bulkhead assembly are developed to evaluate the performance of the PRSEUS construction. In order to assess the comparative weight reduction benefits of the PRSEUS technology, conventional cylindrical skin-stringer-frame models of a cylindrical and a double-bubble section fuselage concepts are developed. Stress analysis with design cabin-pressure load and scenario based case studies are conducted for design improvement in each case. Alternate analysis with stitched composite hat-stringers and C-frames are also presented, in addition to the foam-core sandwich frame and pultruded rod-stringer construction. The FEM structural stress, strain and weights are computed and compared for relative weight/strength benefit assessment. The structural analysis and specific weight comparison of these stitched composite advanced aircraft fuselage concepts demonstrated that the pressurized HWB fuselage section assembly can be structurally as efficient as the conventional cylindrical fuselage section with composite stringer-frame and PRSEUS construction, and significantly better than the conventional aluminum construction and the double-bubble section concept.

Comparative Study on Cushion Performance Between 3D Printed Kelvin Structure and 3D Printed Lattice Structure

NASA Astrophysics Data System (ADS)

Priyadarshini, Lakshmi

Frequently transported packaging goods are more prone to damage due to impact, jolting or vibration in transit. Fragile goods, for example, glass, ceramics, porcelain are susceptible to mechanical stresses. Hence ancillary materials like cushions play an important role when utilized within package. In this work, an analytical model of a 3D cellular structure is established based on Kelvin model and lattice structure. The research will provide a comparative study between the 3D printed Kelvin unit structure and 3D printed lattice structure. The comparative investigation is based on parameters defining cushion performance such as cushion creep, indentation, and cushion curve analysis. The applications of 3D printing is in rapid prototyping where the study will provide information of which model delivers better form of energy absorption. 3D printed foam will be shown as a cost-effective approach as prototype. The research also investigates about the selection of material for 3D printing process. As cushion development demands flexible material, three-dimensional printing with material having elastomeric properties is required. Further, the concept of cushion design is based on Kelvin model structure and lattice structure. The analytical solution provides the cushion curve analysis with respect to the results observed when load is applied over the cushion. The results are reported on basis of attenuation and amplification curves.

The influence of computational strategy on prediction of mechanical stress in carotid atherosclerotic plaques: comparison of 2D structure-only, 3D structure-only, one-way and fully coupled fluid-structure interaction analyses.

PubMed

Huang, Yuan; Teng, Zhongzhao; Sadat, Umar; Graves, Martin J; Bennett, Martin R; Gillard, Jonathan H

2014-04-11

Compositional and morphological features of carotid atherosclerotic plaques provide complementary information to luminal stenosis in predicting clinical presentations. However, they alone cannot predict cerebrovascular risk. Mechanical stress within the plaque induced by cyclical changes in blood pressure has potential to assess plaque vulnerability. Various modeling strategies have been employed to predict stress, including 2D and 3D structure-only, 3D one-way and fully coupled fluid-structure interaction (FSI) simulations. However, differences in stress predictions using different strategies have not been assessed. Maximum principal stress (Stress-P1) within 8 human carotid atherosclerotic plaques was calculated based on geometry reconstructed from in vivo computerized tomography and high resolution, multi-sequence magnetic resonance images. Stress-P1 within the diseased region predicted by 2D and 3D structure-only, and 3D one-way FSI simulations were compared to 3D fully coupled FSI analysis. Compared to 3D fully coupled FSI, 2D structure-only simulation significantly overestimated stress level (94.1 kPa [65.2, 117.3] vs. 85.5 kPa [64.4, 113.6]; median [inter-quartile range], p=0.0004). However, when slices around the bifurcation region were excluded, stresses predicted by 2D structure-only simulations showed a good correlation (R(2)=0.69) with values obtained from 3D fully coupled FSI analysis. 3D structure-only model produced a small yet statistically significant stress overestimation compared to 3D fully coupled FSI (86.8 kPa [66.3, 115.8] vs. 85.5 kPa [64.4, 113.6]; p<0.0001). In contrast, one-way FSI underestimated stress compared to 3D fully coupled FSI (78.8 kPa [61.1, 100.4] vs. 85.5 kPa [64.4, 113.7]; p<0.0001). A 3D structure-only model seems to be a computationally inexpensive yet reasonably accurate approximation for stress within carotid atherosclerotic plaques with mild to moderate luminal stenosis as compared to fully coupled FSI analysis. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

Coupled Aerodynamic and Structural Sensitivity Analysis of a High-Speed Civil Transport

NASA Technical Reports Server (NTRS)

Mason, B. H.; Walsh, J. L.

2001-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity, finite-element structural analysis and computational fluid dynamics aerodynamic analysis. In a previous study, a multi-disciplinary analysis system for a high-speed civil transport was formulated to integrate a set of existing discipline analysis codes, some of them computationally intensive, This paper is an extension of the previous study, in which the sensitivity analysis for the coupled aerodynamic and structural analysis problem is formulated and implemented. Uncoupled stress sensitivities computed with a constant load vector in a commercial finite element analysis code are compared to coupled aeroelastic sensitivities computed by finite differences. The computational expense of these sensitivity calculation methods is discussed.

Analysis and trade-off studies of large lightweight mirror structures. [large space telescope

NASA Technical Reports Server (NTRS)

Soosaar, K.; Grin, R.; Ayer, F.

1975-01-01

A candidate mirror, hexagonally lightweighted, is analyzed under various loadings using as complete a procedure as possible. Successive simplifications are introduced and compared to an original analysis. A model which is a reasonable compromise between accuracy and cost is found and is used for making trade-off studies of the various structural parameters of the lightweighted mirror.

[Comparative analysis of the genetic structure of Red Polish cattle in Poland and the Ukraine].

PubMed

Oblap, R V; Zvezhkhovski, L; Ivanchenko, E V; Glazko, V I

2002-01-01

Comparative analysis of genetic structure of two groups of Red Polish cattle, which reproduce in Poland and Ukraine, was made. Six molecular-genetic markers (kappa-casein, beta-lactoglobulin, leptin, myostatin, growth hormone, and pituitary-specific transcription factor Pit-I) were tested by PCR-RFLP. No significant differences between the considered intrabreed groups were found. High frequency of some alleles (Csn kappa B, Blg B, and Gh L) related to the important productivity traits were observed. The rare alleles in some genes were revealed. The obtained results are evidence of the unique characteristics of the investigated breed.

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.

Structural models of antibody variable fragments: A method for investigating binding mechanisms

NASA Astrophysics Data System (ADS)

Petit, Samuel; Brard, Frédéric; Coquerel, Gérard; Perez, Guy; Tron, François

1998-03-01

The value of comparative molecular modeling for elucidating structure-function relationships was demonstrated by analyzing six anti-nucleosome autoantibody variable fragments. Structural models were built using the automated procedure developed in the COMPOSER software, subsequently minimized with the AMBER force field, and validated according to several standard geometric and chemical criteria. Canonical class assignment from Chothia and Lesk's [Chottin and Lesk, J. Mol. Biol., 196 (1987) 901; Chothia et al., Nature, 342 (1989) 877] work was used as a supplementary validation tool for five of the six hypervariable loops. The analysis, based on the hypothesis that antigen binding could occur through electrostatic interactions, reveals a diversity of possible binding mechanisms of anti-nucleosome or anti-histone antibodies to their cognate antigen. These results lead us to postulate that anti-nucleosome autoantibodies could have different origins. Since both anti-DNA and anti-nculeosome autoantibodies are produced during the course of systemic lupus erythematosus, a non-organ specific autoimmune disease, a comparative structural and electrostatic analysis of the two populations of autoantibodies may constitute a way to elucidate their origin and the role of the antigen in tolerance breakdown. The present study illustrates some interests, advantages and limits of a methodology based on the use of comparative modeling and analysis of molecular surface properties.

Comparative Analysis of the Clinical Significance of Oscillatory Components in the Rhythmic Structure of Pulse Signal in the Diagnostics of Psychosomatic Disorders in School Age Children.

PubMed

Desova, A A; Dorofeyuk, A A; Anokhin, A M

2017-01-01

We performed a comparative analysis of the types of spectral density typical of various parameters of pulse signal. The experimental material was obtained during the examination of school age children with various psychosomatic disorders. We also performed a typological analysis of the spectral density functions corresponding to the time series of different parameters of a single oscillation of pulse signals; the results of their comparative analysis are presented. We determined the most significant spectral components for two disordersin children: arterial hypertension and mitral valve prolapse.

Change in University Governance Structures in Continental Europe

ERIC Educational Resources Information Center

Gornitzka, Åse; Maassen, Peter; de Boer, Harry

2017-01-01

This article discusses changes with respect to university governance structures in six comprehensive universities in Europe. We present an analytical framework on the basis of which we conduct a comparative analysis of the university governance structures along four different dimensions: (a) the internal democratic nature of the governance…

Lessons from an evolving rRNA: 16S and 23S rRNA structures from a comparative perspective

NASA Technical Reports Server (NTRS)

Gutell, R. R.; Larsen, N.; Woese, C. R.

1994-01-01

The 16S and 23S rRNA higher-order structures inferred from comparative analysis are now quite refined. The models presented here differ from their immediate predecessors only in minor detail. Thus, it is safe to assert that all of the standard secondary-structure elements in (prokaryotic) rRNAs have been identified, with approximately 90% of the individual base pairs in each molecule having independent comparative support, and that at least some of the tertiary interactions have been revealed. It is interesting to compare the rRNAs in this respect with tRNA, whose higher-order structure is known in detail from its crystal structure (36) (Table 2). It can be seen that rRNAs have as great a fraction of their sequence in established secondary-structure elements as does tRNA. However, the fact that the former show a much lower fraction of identified tertiary interactions and a greater fraction of unpaired nucleotides than the latter implies that many of the rRNA tertiary interactions remain to be located. (Alternatively, the ribosome might involve protein-rRNA rather than intramolecular rRNA interactions to stabilize three-dimensional structure.) Experimental studies on rRNA are consistent to a first approximation with the structures proposed here, confirming the basic assumption of comparative analysis, i.e., that bases whose compositions strictly covary are physically interacting. In the exhaustive study of Moazed et al. (45) on protection of the bases in the small-subunit rRNA against chemical modification, the vast majority of bases inferred to pair by covariation are found to be protected from chemical modification, both in isolated small-subunit rRNA and in the 30S subunit. The majority of the tertiary interactions are reflected in the chemical protection data as well (45). On the other hand, many of the bases not shown as paired in Fig. 1 are accessible to chemical attack (45). However, in this case a sizeable fraction of them are also protected against chemical modification (in the isolated rRNA), which suggests that considerable higher-order structure remains to be found (although all of it may not involve base-base interactions and so may not be detectable by comparative analysis). The agreement between the higher-order structure of the small-subunit rRNA and protection against chemical modification is not perfect, however; some bases shown to covary canonically are accessible to chemical modification (45).(ABSTRACT TRUNCATED AT 400 WORDS).

Pharmacoeconomics of parenteral nutrition in surgical and critically ill patients receiving structured triglycerides in China.

PubMed

Wu, Guo Hao; Ehm, Alexandra; Bellone, Marco; Pradelli, Lorenzo

2017-01-01

A prior meta-analysis showed favorable metabolic effects of structured triglyceride (STG) lipid emulsions in surgical and critically ill patients compared with mixed medium-chain/long-chain triglycerides (MCT/LCT) emulsions. Limited data on clinical outcomes precluded pharmacoeconomic analysis. We performed an updated meta-analysis and developed a cost model to compare overall costs for STGs vs MCT/LCTs in Chinese hospitals. We searched Medline, Embase, Wanfang Data, the China Hospital Knowledge Database, and Google Scholar for clinical trials comparing STGs to mixed MCT/LCTs in surgical or critically ill adults published between October 10, 2013 and September 19, 2015. Newly identified studies were pooled with the prior studies and an updated meta-analysis was performed. A deterministic simulation model was used to compare the effects of STGs and mixed MCT/LCT's on Chinese hospital costs. The literature search identified six new trials, resulting in a total of 27 studies in the updated meta-analysis. Statistically significant differences favoring STGs were observed for cumulative nitrogen balance, pre- albumin and albumin concentrations, plasma triglycerides, and liver enzymes. STGs were also associated with a significant reduction in the length of hospital stay (mean difference, -1.45 days; 95% confidence interval, -2.48 to -0.43; p=0.005) versus mixed MCT/LCTs. Cost analysis demonstrated a net cost benefit of ¥675 compared with mixed MCT/LCTs. STGs are associated with improvements in metabolic function and reduced length of hospitalization in surgical and critically ill patients compared with mixed MCT/LCT emulsions. Cost analysis using data from Chinese hospitals showed a corresponding cost benefit.

Structural studies of liquid Co–Sn alloys

PubMed Central

Yakymovych, A.; Shtablavyi, I.; Mudry, S.

2014-01-01

An analysis of the structure features of liquid Co–Sn alloys has been performed by means of X-ray diffraction method, viscosity coefficient analysis and computer simulation method. The X-ray diffraction investigations were carried out over a wide concentration range at the temperature 1473 K. It was found that the structure of these alloys can be described in the frame of independent X-ray scattering model. The viscosity coefficient was calculated by an excess entropy scaling and compared with experimental data. PMID:25328282

Analysis of defect structure in silicon. Characterization of samples from UCP ingot 5848-13C

NASA Technical Reports Server (NTRS)

Natesh, R.; Guyer, T.; Stringfellow, G. B.

1982-01-01

Statistically significant quantitative structural imperfection measurements were made on samples from ubiquitous crystalline process (UCP) Ingot 5848 - 13 C. Important trends were noticed between the measured data, cell efficiency, and diffusion length. Grain boundary substructure appears to have an important effect on the conversion efficiency of solar cells from Semix material. Quantitative microscopy measurements give statistically significant information compared to other microanalytical techniques. A surface preparation technique to obtain proper contrast of structural defects suitable for QTM analysis was perfected.

A Study of Effects of MultiCollinearity in the Multivariable Analysis

PubMed Central

Yoo, Wonsuk; Mayberry, Robert; Bae, Sejong; Singh, Karan; (Peter) He, Qinghua; Lillard, James W.

2015-01-01

A multivariable analysis is the most popular approach when investigating associations between risk factors and disease. However, efficiency of multivariable analysis highly depends on correlation structure among predictive variables. When the covariates in the model are not independent one another, collinearity/multicollinearity problems arise in the analysis, which leads to biased estimation. This work aims to perform a simulation study with various scenarios of different collinearity structures to investigate the effects of collinearity under various correlation structures amongst predictive and explanatory variables and to compare these results with existing guidelines to decide harmful collinearity. Three correlation scenarios among predictor variables are considered: (1) bivariate collinear structure as the most simple collinearity case, (2) multivariate collinear structure where an explanatory variable is correlated with two other covariates, (3) a more realistic scenario when an independent variable can be expressed by various functions including the other variables. PMID:25664257

A Study of Effects of MultiCollinearity in the Multivariable Analysis.

PubMed

Yoo, Wonsuk; Mayberry, Robert; Bae, Sejong; Singh, Karan; Peter He, Qinghua; Lillard, James W

2014-10-01

A multivariable analysis is the most popular approach when investigating associations between risk factors and disease. However, efficiency of multivariable analysis highly depends on correlation structure among predictive variables. When the covariates in the model are not independent one another, collinearity/multicollinearity problems arise in the analysis, which leads to biased estimation. This work aims to perform a simulation study with various scenarios of different collinearity structures to investigate the effects of collinearity under various correlation structures amongst predictive and explanatory variables and to compare these results with existing guidelines to decide harmful collinearity. Three correlation scenarios among predictor variables are considered: (1) bivariate collinear structure as the most simple collinearity case, (2) multivariate collinear structure where an explanatory variable is correlated with two other covariates, (3) a more realistic scenario when an independent variable can be expressed by various functions including the other variables.

Response analysis of an automobile shipping container

NASA Technical Reports Server (NTRS)

Hua, L.; Lee, S. H.; Johnstone, B.

1973-01-01

The design and development of automobile shipping containers to reduce enroute damage are discussed. Vibration tests were conducted to determine the system structural integrity. A dynamic analysis was made using NASTRAN and the results of the test and the analysis are compared.

Variable Stiffness Panel Structural Analyses With Material Nonlinearity and Correlation With Tests

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Gurdal, Zafer

2006-01-01

Results from structural analyses of three tow-placed AS4/977-3 composite panels with both geometric and material nonlinearities are presented. Two of the panels have variable stiffness layups where the fiber orientation angle varies as a continuous function of location on the panel planform. One variable stiffness panel has overlapping tow bands of varying thickness, while the other has a theoretically uniform thickness. The third panel has a conventional uniform-thickness [plus or minus 45](sub 5s) layup with straight fibers, providing a baseline for comparing the performance of the variable stiffness panels. Parametric finite element analyses including nonlinear material shear are first compared with material characterization test results for two orthotropic layups. This nonlinear material model is incorporated into structural analysis models of the variable stiffness and baseline panels with applied end shortenings. Measured geometric imperfections and mechanical prestresses, generated by forcing the variable stiffness panels from their cured anticlastic shapes into their flatter test configurations, are also modeled. Results of these structural analyses are then compared to the measured panel structural response. Good correlation is observed between the analysis results and displacement test data throughout deep postbuckling up to global failure, suggesting that nonlinear material behavior is an important component of the actual panel structural response.

Assessment of SIP Buildings for Sustainable Development in Rural China Using AHP-Grey Correlation Analysis.

PubMed

Bai, Libiao; Wang, Hailing; Shi, Chunming; Du, Qiang; Li, Yi

2017-10-25

Traditional rural residential construction has the problems of high energy consumption and severe pollution. In general, with sustainable development in the construction industry, rural residential construction should be aimed towards low energy consumption and low carbon emissions. To help achieve this objective, in this paper, we evaluated four different possible building structures using AHP-Grey Correlation Analysis, which consists of the Analytic Hierarchy Process (AHP) and the Grey Correlation Analysis. The four structures included the traditional and currently widely used brick and concrete structure, as well as structure insulated panels (SIPs). Comparing the performances of economic benefit and carbon emission, the conclusion that SIPs have the best overall performance can be obtained, providing a reference to help builders choose the most appropriate building structure in rural China.

MOOC & B-Learning: Students' Barriers and Satisfaction in Formal and Non-Formal Learning Environments

ERIC Educational Resources Information Center

Gutiérrez-Santiuste, Elba; Gámiz-Sánchez, Vanesa-M.; Gutiérrez-Pérez, Jose

2015-01-01

The study presents a comparative analysis of two virtual learning formats: one non-formal through a Massive Open Online Course (MOOC) and the other formal through b-learning. We compare the communication barriers and the satisfaction perceived by the students (N = 249) by developing a qualitative analysis using semi-structured questionnaires and…

New reflective symmetry design capability in the JPL-IDEAS Structure Optimization Program

NASA Technical Reports Server (NTRS)

Strain, D.; Levy, R.

1986-01-01

The JPL-IDEAS antenna structure analysis and design optimization computer program was modified to process half structure models of symmetric structures subjected to arbitrary external static loads, synthesize the performance, and optimize the design of the full structure. Significant savings in computation time and cost (more than 50%) were achieved compared to the cost of full model computer runs. The addition of the new reflective symmetry analysis design capabilities to the IDEAS program allows processing of structure models whose size would otherwise prevent automated design optimization. The new program produced synthesized full model iterative design results identical to those of actual full model program executions at substantially reduced cost, time, and computer storage.

Measuring the environmental effects of organic farming: A meta-analysis of structural variables in empirical research.

PubMed

Lee, Ki Song; Choe, Young Chan; Park, Sung Hee

2015-10-01

This study examined the structural variables affecting the environmental effects of organic farming compared to those of conventional farming. A meta-analysis based on 107 studies and 360 observations published from 1977 to 2012 compared energy efficiency (EE) and greenhouse gas emissions (GHGE) for organic and conventional farming. The meta-analysis systematically analyzed the results of earlier comparative studies and used logistic regression to identify the structural variables that contributed to differences in the effects of organic and conventional farming on the environment. The statistical evidence identified characteristics that differentiated the environmental effects of organic and conventional farming, which is controversial. The results indicated that data sources, sample size and product type significantly affected EE, whereas product type, cropping pattern and measurement unit significantly affected the GHGE of organic farming compared to conventional farming. Superior effects of organic farming on the environment were more likely to appear for larger samples, primary data rather than secondary data, monocropping rather than multicropping, and crops other than fruits and vegetables. The environmental effects of organic farming were not affected by the study period, geographic location, farm size, cropping pattern, or measurement method. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Analysis and sizing of Mars aerobrake structure

NASA Technical Reports Server (NTRS)

Raju, I. S.; Craft, W. J.

1993-01-01

A cone-sphere aeroshell structure for aerobraking into Martian atmosphere is studied. Using this structural configuration, a space frame load-bearing structure is proposed. To generate this structure efficiently and to perform a variety of studies of several configurations, a mesh generator that utilizes only a few configurational parameters is developed. A finite element analysis program that analyzes space frame structures was developed. A sizing algorithm that arrives at a minimum mass configuration was developed and integrated into the finite element analysis program. A typical 135-ft-diam aerobrake configuration was analyzed and sized. The minimum mass obtained in this study using high modulus graphite/epoxy composite material members is compared with the masses obtained from two other aerobrake structures using lightweight erectable tetrahedral truss and part-spherical truss configurations. Excellent agreement for the minimum mass was obtained with the three different aerobrake structures. Also, the minimum mass using the present structure was obtained when the supports were not at the base but at about 75 percent of the base diameter.

Precision and accuracy in smFRET based structural studies—A benchmark study of the Fast-Nano-Positioning System

NASA Astrophysics Data System (ADS)

Nagy, Julia; Eilert, Tobias; Michaelis, Jens

2018-03-01

Modern hybrid structural analysis methods have opened new possibilities to analyze and resolve flexible protein complexes where conventional crystallographic methods have reached their limits. Here, the Fast-Nano-Positioning System (Fast-NPS), a Bayesian parameter estimation-based analysis method and software, is an interesting method since it allows for the localization of unknown fluorescent dye molecules attached to macromolecular complexes based on single-molecule Förster resonance energy transfer (smFRET) measurements. However, the precision, accuracy, and reliability of structural models derived from results based on such complex calculation schemes are oftentimes difficult to evaluate. Therefore, we present two proof-of-principle benchmark studies where we use smFRET data to localize supposedly unknown positions on a DNA as well as on a protein-nucleic acid complex. Since we use complexes where structural information is available, we can compare Fast-NPS localization to the existing structural data. In particular, we compare different dye models and discuss how both accuracy and precision can be optimized.

Comparative analysis of structural concrete quality assurance practices on nine nuclear power plant construction projects. Final report

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

Willenbrock, J.H.; Thomas, H.R. Jr.; Burati, J.L. Jr.

1978-06-01

The basic objective of this research effort was to perform a comparative analysis of the Quality Assurance practices related to the structural concrete phase on nine nuclear power plant projects which are (or have been) under construction in the United States in the past ten years. This analysis identified the response of each Quality Assurance program to the applicable criteria of 10 CFR Part 50, Appendix B as well as to the pertinent regulatory requirements and industry standards. The major emphasis was placed on the construction aspects of the structural concrete phase of each project. The engineering and design aspectsmore » were examined whenever they interfaced with the construction aspects. For those aspects of the Quality Assurance system which can be considered managerial in nature (i.e., organizational relationships, types of Quality Assurance programs, corrective action procedures, etc.) an attempt has been made to present the alternative approaches that were identified. For those aspects of the Quality Assurance system which are technical in nature (i.e., the frequency of testing for slump, compressive strength, etc.) an attempt has been made to present a comparative analysis between projects and in relation to the recommended or mandated practices presented in the appropriate industry codes and standards.« less

Application of a transonic potential flow code to the static aeroelastic analysis of three-dimensional wings

NASA Technical Reports Server (NTRS)

Whitlow, W., Jr.; Bennett, R. M.

1982-01-01

Since the aerodynamic theory is nonlinear, the method requires the coupling of two iterative processes - an aerodynamic analysis and a structural analysis. A full potential analysis code, FLO22, is combined with a linear structural analysis to yield aerodynamic load distributions on and deflections of elastic wings. This method was used to analyze an aeroelastically-scaled wind tunnel model of a proposed executive-jet transport wing and an aeroelastic research wing. The results are compared with the corresponding rigid-wing analyses, and some effects of elasticity on the aerodynamic loading are noted.

Traditional Mold Analysis Compared to a DNA-based Method of Mold Analysis with Applications in Asthmatics' Homes

EPA Science Inventory

Traditional environmental mold analysis is based-on microscopic observations and counting of mold structures collected from the air on a sticky surface or culturing of molds on growth media for identification and quantification. A DNA-based method of mold analysis called mol...

Spatial Genetic Structure and Clonal Diversity in an Alpine Population of Salix herbacea (Salicaceae)

PubMed Central

Reisch, Christoph; Schurm, Sophia; Poschlod, Peter

2007-01-01

Background and Aims Many alpine plant species combine clonal and sexual reproduction to minimize the risks of flowering and seed production in high mountain regions. The spatial genetic structure and diversity of these alpine species is strongly affected by different clonal strategies (phalanx or guerrilla) and the proportion of generative and vegetative reproduction. Methods The clonal structure of the alpine plant species Salix herbacea was investigated in a 3 × 3 m plot of an alpine meadow using microsatellite (simple sequence repeat; SSR) analysis. The data obtained were compared with the results of a random amplified polymorphic DNA (RAPD) analysis. Key Results SSR analysis, based on three loci and 16 alleles, revealed 24 different genotypes and a proportion of distinguishable genotypes of 0·18. Six SSR clones were found consisting of at least five samples, 17 clones consisting of more than two samples and seven single genotypes. Mean clone size comprising at least five samples was 0·96 m2, and spatial autocorrelation analysis showed strong similarity of samples up to 130 cm. RAPD analysis revealed a higher level of clonal diversity but a comparable number of larger clones and a similar spatial structure. Conclusions The spatial genetic structure as well as the occurrence of single genotypes revealed in this study suggests both clonal and sexual propagation and repeated seedling recruitment in established populations of S. herbacea and is thus suggestive of a relaxed phalanx strategy. PMID:17242040

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

Analysis of an industry in transition.

PubMed

Baliga, B R; Johnson, B

1986-12-01

The health care industry is undergoing major structural changes. The significance of these changes for individual competitors moving toward the 1990s is not yet clear. This article assesses the implications of the current changes by applying Porter's industry structure and generic strategy frameworks to the health care industry. Present trends are compared to this analysis to highlight areas where individual hospitals might improve their competitive positioning.

Study of advanced composite structural design concepts for an arrow wing supersonic cruise configuration, task 3

NASA Technical Reports Server (NTRS)

1978-01-01

A structural design study was conducted to assess the relative merits of structural concepts using advanced composite materials for an advanced supersonic aircraft cruising at Mach 2.7. The configuration and structural arrangement developed during Task I and II of the study, was used as the baseline configuration. Allowable stresses and strains were established for boron and advanced graphite fibers based on projected fiber properties available in the next decade. Structural concepts were designed and analyzed using graphite polyimide and boron polyimide, applied to stiffened panels and conventional sandwich panels. The conventional sandwich panels were selected as the structural concept to be used on the wing structure. The upper and lower surface panels of the Task I arrow wing were redesigned using high-strength graphite polyimide sandwich panels over the titanium spars and ribs. The ATLAS computer system was used as the basis for stress analysis and resizing the surface panels using the loads from the Task II study, without adjustment for change in aeroelastic deformation. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter speed was increased to that of the titanium wing, with a weight penalty less than that of the metallic airplane.

Rock type discrimination and structural analysis with LANDSAT and Seasat data: San Rafael swell, Utah

NASA Technical Reports Server (NTRS)

Stewart, H. E.; Blom, R.; Abrams, M.; Daily, M.

1980-01-01

Satellite synthetic aperture radar (SAR) images is evaluated in terms of its geologic applications. The benchmark to which the SAR images are compared is LANDSAT, used both for structural and lithologic interpretations.

ATLAS, an integrated structural analysis and design system. Volume 5: System demonstration problems

NASA Technical Reports Server (NTRS)

Samuel, R. A. (Editor)

1979-01-01

One of a series of documents describing the ATLAS System for structural analysis and design is presented. A set of problems is described that demonstrate the various analysis and design capabilities of the ATLAS System proper as well as capabilities available by means of interfaces with other computer programs. Input data and results for each demonstration problem are discussed. Results are compared to theoretical solutions or experimental data where possible. Listings of all input data are included.

Buckling analysis of curved composite sandwich panels subjected to inplane loadings

NASA Technical Reports Server (NTRS)

Cruz, Juan R.

1993-01-01

Composite sandwich structures are being considered for primary structure in aircraft such as subsonic and high speed civil transports. The response of sandwich structures must be understood and predictable to use such structures effectively. Buckling is one of the most important response mechanisms of sandwich structures. A simple buckling analysis is derived for sandwich structures. This analysis is limited to flat, rectangular sandwich panels loaded by uniaxial compression (N(sub x)) and having simply supported edges. In most aerospace applications, however, the structure's geometry, boundary conditions, and loading are usually very complex. Thus, a general capability for analyzing the buckling behavior of sandwich structures is needed. The present paper describes and evaluates an improved buckling analysis for cylindrically curved composite sandwich panels. This analysis includes orthotropic facesheets and first-order transverse shearing effects. Both simple support and clamped boundary conditions are also included in the analysis. The panels can be subjected to linearly varying normal loads N(sub x) and N(sub y) in addition to a constant shear load N(sub xy). The analysis is based on the modified Donnell's equations for shallow shells. The governing equations are solved by direct application of Galerkin's method. The accuracy of the present analysis is verified by comparing results with those obtained from finite element analysis for a variety of geometries, loads, and boundary conditions. The limitations of the present analysis are investigated, in particular those related to the shallow shell assumptions in the governing equations. Finally, the computational efficiency of the present analysis is considered.

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures

NASA Astrophysics Data System (ADS)

Tonmunphean, Somsak; Kokpol, Sirirat; Parasuk, Vudhichai; Wolschann, Peter; Winger, Rudolf H.; Liedl, Klaus R.; Rode, Bernd M.

1998-07-01

Based on the belief that structural optimization methods, producing structures more closely to the experimental ones, should give better, i.e. more relevant, steric fields and hence more predictive CoMFA models, comparative molecular field analyses of artemisinin derivatives were performed based on semiempirical AM1 and HF/3-21G optimized geometries. Using these optimized geometries, the CoMFA results derived from the HF/3-21G method are found to be usually but not drastically better than those from AM1. Additional calculations were performed to investigate the electrostatic field difference using the Gasteiger and Marsili charges, the electrostatic potential fit charges at the AM1 level, and the natural population analysis charges at the HF/3-21G level of theory. For the HF/3-21G optimized structures no difference in predictability was observed, whereas for AM1 optimized structures such differences were found. Interestingly, if ionic compounds are omitted, differences between the various HF/3-21G optimized structure models using these electrostatic fields were found.

Numerical analysis and comparison of three types of herringbone frame structure for highway subgrade slopes protection

NASA Astrophysics Data System (ADS)

Nie, Yihua; Tang, Saiqian; Xu, Yang; Mao, Kunli

2018-04-01

In order to obtain mechanical response distribution of herringbone frame structure for highway subgrade slopes protection and select the best structure type, 3D numerical models of three types herringbone frame structure were established and analyzed in finite element software ANSYS. Indoor physical model of soil slope protected by herringbone frame structure was built and mechanical response of the frame structure was measured by loading tests. Numerical results indicate slope foot is the stress most disadvantageous location. Comparative analysis shows that structure composed of mortar rubble base layer and precast concrete blocks paving layer is the best one for resisting deformation and structure with cement mortar base layer and precast concrete blocks paving layer is the best one for being of low stress.

Symptom structure and severity: a comparison of responses to the positive and negative syndrome scale (PANSS) between patients with PTSD or schizophrenia.

PubMed

Stefanovics, Elina A; Krystal, John H; Rosenheck, Robert A

2014-05-01

To describe and compare the structure and relative severity of symptoms in clinical trial patients diagnosed with Post Traumatic Stress Disorder (PTSD) or schizophrenia using the Positive and Negative Syndrome Scale (PANSS), developed originally to evaluate symptoms of schizophrenia. This secondary data analysis used baseline PANSS symptom ratings (n=267) from a six-month multicenter randomized placebo-controlled trial of adjunctive risperidone in patients with chronic military-related PTSD. First, using a split-half design, Exploratory Factor Analysis (EFA) was employed to identify independent factors which were then compared to published factor structures for schizophrenia. Next, Confirmatory Factor Analysis (CFA) was applied to the second half of the sample to compare the results of the EFA and published factor structures. Finally, T-tests were used to compare the severity of factor scores between the PTSD sample and the baseline PANSS ratings from the Clinical Antipsychotic Trial for Intervention Effectiveness (CATIE) schizophrenia sample (n=1460). EFA suggested five factors similar to those identified in a summary of 29 schizophrenia studies by Wallwork (Schizophrenia Research, 137:246-250). CFA showed that the five factor Wallwork model fit the data better than the EFA, although both had relatively high goodness of fit. T-tests showed that the PTSD sample had more severe symptoms on the Depressive factor, and the schizophrenia sample on the Positive, Negative, and Disorganized factors, with no significant difference on the Excited factor. Veterans with PTSD had similar symptom structure to patients with schizophrenia on the PANSS, but were less symptomatic on psychosis-related factors and more symptomatic on depression. Dimensional symptom factors can be virtually the same across diagnoses. Published by Elsevier Inc.

Comparative Analysis of the Reliability of Steel Structure with Pinned and Rigid Nodes Subjected to Fire

NASA Astrophysics Data System (ADS)

Kubicka, Katarzyna; Radoń, Urszula; Szaniec, Waldemar; Pawlak, Urszula

2017-10-01

The paper concerns the reliability analysis of steel structures subjected to high temperatures of fire gases. Two types of spatial structures were analysed, namely with pinned and rigid nodes. The fire analysis was carried out according to prescriptions of Eurocode. The static-strength analysis was conducted using the finite element method (FEM). The MES3D program, developed by Szaniec (Kielce University of Technology, Poland), was used for this purpose. The results received from MES3D made it possible to carry out the reliability analysis using the Numpress Explore program that was developed at the Institute of Fundamental Technological Research of the Polish Academy of Sciences [9]. The measurement of reliability of structures is the Hasofer-Lind reliability index (β). The reliability analysis was carried out according to approximation (FORM, SORM) and simulation (Importance Sampling, Monte Carlo) methods. As the fire progresses, the value of reliability index decreases. The analysis conducted for the study made it possible to evaluate the impact of node types on those changes. In real structures, it is often difficult to define correctly types of nodes, so some simplifications are made. The presented analysis contributes to the recognition of consequences of such assumptions for the safety of structures, subjected to fire.

StructAlign, a Program for Alignment of Structures of DNA-Protein Complexes.

PubMed

Popov, Ya V; Galitsyna, A A; Alexeevski, A V; Karyagina, A S; Spirin, S A

2015-11-01

Comparative analysis of structures of complexes of homologous proteins with DNA is important in the analysis of DNA-protein recognition. Alignment is a necessary stage of the analysis. An alignment is a matching of amino acid residues and nucleotides of one complex to residues and nucleotides of the other. Currently, there are no programs available for aligning structures of DNA-protein complexes. We present the program StructAlign, which should fill this gap. The program inputs a pair of complexes of DNA double helix with proteins and outputs an alignment of DNA chains corresponding to the best spatial fit of the protein chains.

A 3D moisture-stress FEM analysis for time dependent problems in timber structures

NASA Astrophysics Data System (ADS)

Fortino, Stefania; Mirianon, Florian; Toratti, Tomi

2009-11-01

This paper presents a 3D moisture-stress numerical analysis for timber structures under variable humidity and load conditions. An orthotropic viscoelastic-mechanosorptive material model is specialized on the basis of previous models. Both the constitutive model and the equations needed to describe the moisture flow across the structure are implemented into user subroutines of the Abaqus finite element code and a coupled moisture-stress analysis is performed for several types of mechanical loads and moisture changes. The presented computational approach is validated by analyzing some wood tests described in the literature and comparing the computational results with the reported experimental data.

A communication-theory based view on telemedical communication.

PubMed

Schall, Thomas; Roeckelein, Wolfgang; Mohr, Markus; Kampshoff, Joerg; Lange, Tim; Nerlich, Michael

2003-01-01

Communication theory based analysis sheds new light on the use of health telematics. This analysis of structures in electronic medical communication shows communicative structures with special features. Current and evolving telemedical applications are analyzed. The methodology of communicational theory (focusing on linguistic pragmatics) is used to compare it with its conventional counterpart. The semiotic model, the roles of partners, the respective message and their relation are discussed. Channels, sender, addressee, and other structural roles are analyzed for different types of electronic medical communication. The communicative processes are shown as mutual, rational action towards a common goal. The types of communication/texts are analyzed in general. Furthermore the basic communicative structures of medical education via internet are presented with their special features. The analysis shows that electronic medical communication has special features compared to everyday communication: A third participant role often is involved: the patient. Messages often are addressed to an unspecified partner or to an unspecified partner within a group. Addressing in this case is (at least partially) role-based. Communication and message often directly (rather than indirectly) influence actions of the participants. Communication often is heavily regulated including legal implications like liability, and more. The conclusion from the analysis is that the development of telemedical applications so far did not sufficiently take communicative structures into consideration. Based on these results recommendations for future developments of telemedical applications/services are given.

Two-dimensional finite-element analyses of simulated rotor-fragment impacts against rings and beams compared with experiments

NASA Technical Reports Server (NTRS)

Stagliano, T. R.; Witmer, E. A.; Rodal, J. J. A.

1979-01-01

Finite element modeling alternatives as well as the utility and limitations of the two dimensional structural response computer code CIVM-JET 4B for predicting the transient, large deflection, elastic plastic, structural responses of two dimensional beam and/or ring structures which are subjected to rigid fragment impact were investigated. The applicability of the CIVM-JET 4B analysis and code for the prediction of steel containment ring response to impact by complex deformable fragments from a trihub burst of a T58 turbine rotor was studied. Dimensional analysis considerations were used in a parametric examination of data from engine rotor burst containment experiments and data from sphere beam impact experiments. The use of the CIVM-JET 4B computer code for making parametric structural response studies on both fragment-containment structure and fragment-deflector structure was illustrated. Modifications to the analysis/computation procedure were developed to alleviate restrictions.

Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug targets for chagas' disease treatment

PubMed Central

2010-01-01

Background Trypanosoma cruzi is the etiological agent of Chagas' disease, an endemic infection that causes thousands of deaths every year in Latin America. Therapeutic options remain inefficient, demanding the search for new drugs and/or new molecular targets. Such efforts can focus on proteins that are specific to the parasite, but analogous enzymes and enzymes with a three-dimensional (3D) structure sufficiently different from the corresponding host proteins may represent equally interesting targets. In order to find these targets we used the workflows MHOLline and AnEnΠ obtaining 3D models from homologous, analogous and specific proteins of Trypanosoma cruzi versus Homo sapiens. Results We applied genome wide comparative modelling techniques to obtain 3D models for 3,286 predicted proteins of T. cruzi. In combination with comparative genome analysis to Homo sapiens, we were able to identify a subset of 397 enzyme sequences, of which 356 are homologous, 3 analogous and 38 specific to the parasite. Conclusions In this work, we present a set of 397 enzyme models of T. cruzi that can constitute potential structure-based drug targets to be investigated for the development of new strategies to fight Chagas' disease. The strategies presented here support the concept of structural analysis in conjunction with protein functional analysis as an interesting computational methodology to detect potential targets for structure-based rational drug design. For example, 2,4-dienoyl-CoA reductase (EC 1.3.1.34) and triacylglycerol lipase (EC 3.1.1.3), classified as analogous proteins in relation to H. sapiens enzymes, were identified as new potential molecular targets. PMID:21034488

Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug targets for chagas' disease treatment.

PubMed

Capriles, Priscila V S Z; Guimarães, Ana C R; Otto, Thomas D; Miranda, Antonio B; Dardenne, Laurent E; Degrave, Wim M

2010-10-29

Trypanosoma cruzi is the etiological agent of Chagas' disease, an endemic infection that causes thousands of deaths every year in Latin America. Therapeutic options remain inefficient, demanding the search for new drugs and/or new molecular targets. Such efforts can focus on proteins that are specific to the parasite, but analogous enzymes and enzymes with a three-dimensional (3D) structure sufficiently different from the corresponding host proteins may represent equally interesting targets. In order to find these targets we used the workflows MHOLline and AnEnΠ obtaining 3D models from homologous, analogous and specific proteins of Trypanosoma cruzi versus Homo sapiens. We applied genome wide comparative modelling techniques to obtain 3D models for 3,286 predicted proteins of T. cruzi. In combination with comparative genome analysis to Homo sapiens, we were able to identify a subset of 397 enzyme sequences, of which 356 are homologous, 3 analogous and 38 specific to the parasite. In this work, we present a set of 397 enzyme models of T. cruzi that can constitute potential structure-based drug targets to be investigated for the development of new strategies to fight Chagas' disease. The strategies presented here support the concept of structural analysis in conjunction with protein functional analysis as an interesting computational methodology to detect potential targets for structure-based rational drug design. For example, 2,4-dienoyl-CoA reductase (EC 1.3.1.34) and triacylglycerol lipase (EC 3.1.1.3), classified as analogous proteins in relation to H. sapiens enzymes, were identified as new potential molecular targets.

Exploratory Bi-factor Analysis: The Oblique Case.

PubMed

Jennrich, Robert I; Bentler, Peter M

2012-07-01

Bi-factor analysis is a form of confirmatory factor analysis originally introduced by Holzinger and Swineford (Psychometrika 47:41-54, 1937). The bi-factor model has a general factor, a number of group factors, and an explicit bi-factor structure. Jennrich and Bentler (Psychometrika 76:537-549, 2011) introduced an exploratory form of bi-factor analysis that does not require one to provide an explicit bi-factor structure a priori. They use exploratory factor analysis and a bifactor rotation criterion designed to produce a rotated loading matrix that has an approximate bi-factor structure. Among other things this can be used as an aid in finding an explicit bi-factor structure for use in a confirmatory bi-factor analysis. They considered only orthogonal rotation. The purpose of this paper is to consider oblique rotation and to compare it to orthogonal rotation. Because there are many more oblique rotations of an initial loading matrix than orthogonal rotations, one expects the oblique results to approximate a bi-factor structure better than orthogonal rotations and this is indeed the case. A surprising result arises when oblique bi-factor rotation methods are applied to ideal data.

Replication Research in Comparative Genre Analysis in English for Academic Purposes

ERIC Educational Resources Information Center

Basturkmen, Helen

2014-01-01

In recent years a number of comparative studies based on an established approach to genre analysis have been published in the English for Academic Purposes (EAP) literature. Studies in this emerging strand of research typically aim to identify how the rhetorical structure of a particular genre (a text type) or part of a genre may vary across…

Comprehensive and quantitative profiling of lipid species in human milk, cow milk and a phospholipid-enriched milk formula by GC and MS/MSALL.

PubMed

Sokol, Elena; Ulven, Trond; Færgeman, Nils J; Ejsing, Christer S

2015-06-01

Here we present a workflow for in-depth analysis of milk lipids that combines gas chromatography (GC) for fatty acid (FA) profiling and a shotgun lipidomics routine termed MS/MS ALL for structural characterization of molecular lipid species. To evaluate the performance of the workflow we performed a comparative lipid analysis of human milk, cow milk, and Lacprodan® PL-20, a phospholipid-enriched milk protein concentrate for infant formula. The GC analysis showed that human milk and Lacprodan have a similar FA profile with higher levels of unsaturated FAs as compared to cow milk. In-depth lipidomic analysis by MS/MS ALL revealed that each type of milk sample comprised distinct composition of molecular lipid species. Lipid class composition showed that the human and cow milk contain a higher proportion of triacylglycerols (TAGs) as compared to Lacprodan. Notably, the MS/MS ALL analysis demonstrated that the similar FA profile of human milk and Lacprodan determined by GC analysis is attributed to the composition of individual TAG species in human milk and glycerophospholipid species in Lacprodan. Moreover, the analysis of TAG molecules in Lacprodan and cow milk showed a high proportion of short-chain FAs that could not be monitored by GC analysis. The results presented here show that complementary GC and MS/MS ALL analysis is a powerful approach for characterization of molecular lipid species in milk and milk products. : Milk lipid analysis is routinely performed using gas chromatography. This method reports the total fatty acid composition of all milk lipids, but provides no structural or quantitative information about individual lipid molecules in milk or milk products. Here we present a workflow that integrates gas chromatography for fatty acid profiling and a shotgun lipidomics routine termed MS/MS ALL for structural analysis and quantification of molecular lipid species. We demonstrate the efficacy of this complementary workflow by a comparative analysis of molecular lipid species in human milk, cow milk, and a milk-based supplement used for infant formula.

Comprehensive and quantitative profiling of lipid species in human milk, cow milk and a phospholipid-enriched milk formula by GC and MS/MSALL

PubMed Central

Sokol, Elena; Ulven, Trond; Færgeman, Nils J; Ejsing, Christer S

2015-01-01

Here we present a workflow for in-depth analysis of milk lipids that combines gas chromatography (GC) for fatty acid (FA) profiling and a shotgun lipidomics routine termed MS/MSALL for structural characterization of molecular lipid species. To evaluate the performance of the workflow we performed a comparative lipid analysis of human milk, cow milk, and Lacprodan® PL-20, a phospholipid-enriched milk protein concentrate for infant formula. The GC analysis showed that human milk and Lacprodan have a similar FA profile with higher levels of unsaturated FAs as compared to cow milk. In-depth lipidomic analysis by MS/MSALL revealed that each type of milk sample comprised distinct composition of molecular lipid species. Lipid class composition showed that the human and cow milk contain a higher proportion of triacylglycerols (TAGs) as compared to Lacprodan. Notably, the MS/MSALL analysis demonstrated that the similar FA profile of human milk and Lacprodan determined by GC analysis is attributed to the composition of individual TAG species in human milk and glycerophospholipid species in Lacprodan. Moreover, the analysis of TAG molecules in Lacprodan and cow milk showed a high proportion of short-chain FAs that could not be monitored by GC analysis. The results presented here show that complementary GC and MS/MSALL analysis is a powerful approach for characterization of molecular lipid species in milk and milk products. Practical applications : Milk lipid analysis is routinely performed using gas chromatography. This method reports the total fatty acid composition of all milk lipids, but provides no structural or quantitative information about individual lipid molecules in milk or milk products. Here we present a workflow that integrates gas chromatography for fatty acid profiling and a shotgun lipidomics routine termed MS/MSALL for structural analysis and quantification of molecular lipid species. We demonstrate the efficacy of this complementary workflow by a comparative analysis of molecular lipid species in human milk, cow milk, and a milk-based supplement used for infant formula. PMID:26089741

Influence of Implementation of Composite Materials in Civil Aircraft Industry on reduction of Environmental Pollution and Greenhouse Effect

NASA Astrophysics Data System (ADS)

Beck, A. J.; Hodzic, A.; Soutis, C.; Wilson, C. W.

2011-12-01

Computer-based Life Cycle Analysis (LCA) models were carried out to compare lightweight composites with the traditional aluminium over their useful lifetime. The analysis included raw materials, production, useful life in operation and disposal at the end of the material's useful life. The carbon fibre epoxy resin composite could in some cases reduce the weight of a component by up to 40 % compared to aluminium. As the fuel consumption of an aircraft is strongly influenced by its total weight, the emissions can be significantly reduced by increasing the proportion of composites used in the aircraft structure. Higher emissions, compared to aluminium, produced during composites production meet their 'break even' point after certain number of time units when used in aircraft structures, and continue to save emissions over their long-term operation. The study highlighted the environmental benefits of using lightweight structures in aircraft design, and also showed that utilisation of composites in products without energy saving may lead to increased emissions in the environment.

Educational network comparative analysis of small groups: Short- and long-term communications

NASA Astrophysics Data System (ADS)

Berg, D. B.; Zvereva, O. M.; Nazarova, Yu. Yu.; Chepurov, E. G.; Kokovin, A. V.; Ranyuk, S. V.

2017-11-01

The present study is devoted to the discussion of small group communication network structures. These communications were observed in student groups, where actors were united with a regular educational activity. The comparative analysis was carried out for networks of short-term (1 hour) and long-term (4 weeks) communications, it was based on seven structural parameters, and consisted of two stages. At the first stage, differences between the network graphs were examined, and the random corresponding Bernoulli graphs were built. At the second stage, revealed differences were compared. Calculations were performed using UCINET software framework. It was found out that networks of long-term and short-term communications are quite different: the structure of a short-term communication network is close to a random one, whereas the most of long-term communication network parameters differ from the corresponding random ones by more than 30%. This difference can be explained by strong "noisiness" of a short-term communication network, and the lack of social in it.

Stiffness analysis of glued connection of the timber-concrete structure

NASA Astrophysics Data System (ADS)

Daňková, Jana; Mec, Pavel; Majstríková, Tereza

2016-01-01

This paper presents results of experimental and mathematical analysis of stiffness characteristics of a composite timber-concrete structure. The composite timberconcrete structure presented herein is non-typical compared to similar types of building structures. The interaction between the timber and concrete part of the composite cross-section is not based on metal connecting elements, but it is ensured by a glued-in perforated mesh made of plywood. The paper presents results of experimental and mathematical analysis for material alternatives of the solution of the glued joint. The slip modulus values were determined experimentally. Data obtained from the experiment evaluated by means of regression analysis. Test results were also used as input data for the compilation of a 3D model of a composite structure by means of the 3D finite element model. On the basis of result evaluation, it can be stated that the stress-deformation behaviour at shear loading of this specific timber-concrete composite structure can be affected by the type of glue used. Parameters of the 3D model of both alternative of the structure represent well the behaviour of the composite structure and the model can be used for predicting design parameters of a building structure.

Assessment of SIP Buildings for Sustainable Development in Rural China Using AHP-Grey Correlation Analysis

PubMed Central

Wang, Hailing; Shi, Chunming; Li, Yi

2017-01-01

Traditional rural residential construction has the problems of high energy consumption and severe pollution. In general, with sustainable development in the construction industry, rural residential construction should be aimed towards low energy consumption and low carbon emissions. To help achieve this objective, in this paper, we evaluated four different possible building structures using AHP-Grey Correlation Analysis, which consists of the Analytic Hierarchy Process (AHP) and the Grey Correlation Analysis. The four structures included the traditional and currently widely used brick and concrete structure, as well as structure insulated panels (SIPs). Comparing the performances of economic benefit and carbon emission, the conclusion that SIPs have the best overall performance can be obtained, providing a reference to help builders choose the most appropriate building structure in rural China. PMID:29068420

Objective structured assessment of technical skills evaluation of theoretical compared with hands-on training of shoulder dystocia management: a randomized controlled trial.

PubMed

Buerkle, Bernd; Pueth, Julia; Hefler, Lukas A; Tempfer-Bentz, Eva-Katrin; Tempfer, Clemens B

2012-10-01

To compare the skills of performing a shoulder dystocia management algorithm after hands-on training compared with demonstration. We randomized medical students to a 30-minute hands-on (group 1) and a 30-minute demonstration (group 2) training session teaching a standardized shoulder dystocia management scheme on a pelvic training model. Participants were tested with a 22-item Objective Structured Assessment of Technical Skills scoring system after training and 72 hours thereafter. Objective Structured Assessment of Technical Skills scores were the primary outcome. Performance time, self-assessment, confidence, and global rating scale were the secondary outcomes. Statistics were performed using Mann-Whitney U test, χ test, and multiple linear regression analysis. Two hundred three participants were randomized. Objective Structured Assessment of Technical Skills scores were significantly higher in group 1 (n=103) compared with group 2 (n=100) (17.95±3.14 compared with 15.67±3.18, respectively; P<.001). The secondary outcomes global rating scale (GRS; 10.94±2.71 compared with 8.57±2.61, respectively; P<.001), self-assessment (3.15±0.94 compared with 2.72±1.01; P=.002), and confidence (3.72±0.98 compared with 3.34±0.90, respectively; P=.005), but not performance time (3:19±0:48 minutes compared with 3:31±1:05 minutes; P=.1), were also significantly different, favoring group 1. After 72 hours, Objective Structured Assessment of Technical Skills scores were still significantly higher in group 1 (n=67) compared with group 2 (n=60) (18.17±2.76 compared with 14.98±3.03, respectively; P<.001) as were GRS (10.80±2.62 compared with 8.15±2.59; P<.001) and self assessment (SA; 3.44±0.87 compared with 2.95±0.94; P=.003). In a multiple linear regression analysis, group assignment (group 1 compared with 2; P<.001) and sex (P=.002) independently influenced Objective Structured Assessment of Technical Skills scores. Hands-on training helps to achieve a significant improvement of shoulder dystocia management on a pelvic training model. www.ClinicalTrials.gov, NCT01618565. I.

Economic Evaluation of Computerized Structural Analysis

NASA Technical Reports Server (NTRS)

Fortin, P. E.

1985-01-01

This completed effort involved a technical and economic study of the capabilities of computer programs in the area of structural analysis. The applicability of the programs to NASA projects and to other users was studied. The applications in other industries was explored including both research and development and applied areas. The costs of several alternative analysis programs were compared. A literature search covered applicable technical literature including journals, trade publications and books. In addition to the literature search, several commercial companies that have developed computerized structural analysis programs were contacted and their technical brochures reviewed. These programs include SDRC I-DEAS, MSC/NASTRAN, SCADA, SUPERSAP, NISA/DISPLAY, STAAD-III, MICAS, GTSTRUDL, and STARS. These programs were briefly reviewed as applicable to NASA projects.

[Comparative analysis of Andean and Caribbean region health systems].

PubMed

Gómez-Camelo, Diana

2005-01-01

Carrying out a comparative analysis of Andean and Caribbean health systems contributing towards the general panorama of Andean and Caribbean region health care system experience. This study was aimed at carrying out a comparative analysis of health systems in Bolivia, Colombia, Ecuador, Peru, Venezuela, the Dominican Republic and Cuba between 1990 and 2004. Documentary information from secondary sources was used. Reform and changes during the aforementioned period were compared, as well as the systems' current configurations. Described typologies were used for studying the health systems. Different organisational designs were found for the systems: a national health system (NHS), segmented systems and systems based on mandatory insurance. The trend of reforms introduced in the 1990s and current proposals in almost all systems are directed towards adopting mandatory insurance via a basic packet of services and strengthening competition in providing services through a public and private mix. The organisation and structure of most systems studied have introduced and continue to introduce changes in line with international guidelines. The generality of these structures means that efforts must still be made to adopt designs strengthening them as instruments improving populations' quality of life. Comparative analysis is a tool leading to studying health systems and producing information which can nourish debate regarding current sector reform. This work took shape during the first approach to a comparative study of Andean region and Caribbean health systems.

Finite Element Based HWB Centerbody Structural Optimization and Weight Prediction

NASA Technical Reports Server (NTRS)

Gern, Frank H.

2012-01-01

This paper describes a scalable structural model suitable for Hybrid Wing Body (HWB) centerbody analysis and optimization. The geometry of the centerbody and primary wing structure is based on a Vehicle Sketch Pad (VSP) surface model of the aircraft and a FLOPS compatible parameterization of the centerbody. Structural analysis, optimization, and weight calculation are based on a Nastran finite element model of the primary HWB structural components, featuring centerbody, mid section, and outboard wing. Different centerbody designs like single bay or multi-bay options are analyzed and weight calculations are compared to current FLOPS results. For proper structural sizing and weight estimation, internal pressure and maneuver flight loads are applied. Results are presented for aerodynamic loads, deformations, and centerbody weight.

Appropriate IMFs associated with cepstrum and envelope analysis for ball-bearing fault diagnosis

NASA Astrophysics Data System (ADS)

Tsao, Wen-Chang; Pan, Min-Chun

2014-03-01

The traditional envelope analysis is an effective method for the fault detection of rolling bearings. However, all the resonant frequency bands must be examined during the bearing-fault detection process. To handle the above deficiency, this paper proposes using the empirical mode decomposition (EMD) to select a proper intrinsic mode function (IMF) for the subsequent detection tools; here both envelope analysis and cepstrum analysis are employed and compared. By virtue of the band-pass filtering nature of EMD, the resonant frequency bands of structure to be measured are captured in the IMFs. As impulses arising from rolling elements striking bearing faults modulate with structure resonance, proper IMFs potentially enable to characterize fault signatures. In the study, faulty ball bearings are used to justify the proposed method, and comparisons with the traditional envelope analysis are made. Post the use of IMFs highlighting faultybearing features, the performance of using envelope analysis and cepstrum analysis to single out bearing faults is objectively compared and addressed; it is noted that generally envelope analysis offers better performance.

APPLICATION OF STATISTICAL ENERGY ANALYSIS TO VIBRATIONS OF MULTI-PANEL STRUCTURES.

DTIC Science & Technology

cylindrical shell are compared with predictions obtained from statistical energy analysis . Generally good agreement is observed. The flow of mechanical...the coefficients of proportionality between power flow and average modal energy difference, which one must know in order to apply statistical energy analysis . No

Evaluation of a cost-effective loads approach. [shock spectra/impedance method for Viking Orbiter

NASA Technical Reports Server (NTRS)

Garba, J. A.; Wada, B. K.; Bamford, R.; Trubert, M. R.

1976-01-01

A shock spectra/impedance method for loads predictions is used to estimate member loads for the Viking Orbiter, a 7800-lb interplanetary spacecraft that has been designed using transient loads analysis techniques. The transient loads analysis approach leads to a lightweight structure but requires complex and costly analyses. To reduce complexity and cost, a shock spectra/impedance method is currently being used to design the Mariner Jupiter Saturn spacecraft. This method has the advantage of using low-cost in-house loads analysis techniques and typically results in more conservative structural loads. The method is evaluated by comparing the increase in Viking member loads to the loads obtained by the transient loads analysis approach. An estimate of the weight penalty incurred by using this method is presented. The paper also compares the calculated flight loads from the transient loads analyses and the shock spectra/impedance method to measured flight data.

Detection of lobular structures in normal breast tissue.

PubMed

Apou, Grégory; Schaadt, Nadine S; Naegel, Benoît; Forestier, Germain; Schönmeyer, Ralf; Feuerhake, Friedrich; Wemmert, Cédric; Grote, Anne

2016-07-01

Ongoing research into inflammatory conditions raises an increasing need to evaluate immune cells in histological sections in biologically relevant regions of interest (ROIs). Herein, we compare different approaches to automatically detect lobular structures in human normal breast tissue in digitized whole slide images (WSIs). This automation is required to perform objective and consistent quantitative studies on large data sets. In normal breast tissue from nine healthy patients immunohistochemically stained for different markers, we evaluated and compared three different image analysis methods to automatically detect lobular structures in WSIs: (1) a bottom-up approach using the cell-based data for subsequent tissue level classification, (2) a top-down method starting with texture classification at tissue level analysis of cell densities in specific ROIs, and (3) a direct texture classification using deep learning technology. All three methods result in comparable overall quality allowing automated detection of lobular structures with minor advantage in sensitivity (approach 3), specificity (approach 2), or processing time (approach 1). Combining the outputs of the approaches further improved the precision. Different approaches of automated ROI detection are feasible and should be selected according to the individual needs of biomarker research. Additionally, detected ROIs could be used as a basis for quantification of immune infiltration in lobular structures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Uncertainty of Comparative Judgments and Multidimensional Structure

ERIC Educational Resources Information Center

Sjoberg, Lennart

1975-01-01

An analysis of preferences with respect to silhouette drawings of nude females is presented. Systematic intransitivities were discovered. The dispersions of differences (comparatal dispersons) were shown to reflect the multidimensional structure of the stimuli, a finding expected on the basis of prior work. (Author)

GVIPS Models and Software

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Gendy, Atef; Saleeb, Atef F.; Mark, John; Wilt, Thomas E.

2007-01-01

Two reports discuss, respectively, (1) the generalized viscoplasticity with potential structure (GVIPS) class of mathematical models and (2) the Constitutive Material Parameter Estimator (COMPARE) computer program. GVIPS models are constructed within a thermodynamics- and potential-based theoretical framework, wherein one uses internal state variables and derives constitutive equations for both the reversible (elastic) and the irreversible (viscoplastic) behaviors of materials. Because of the underlying potential structure, GVIPS models not only capture a variety of material behaviors but also are very computationally efficient. COMPARE comprises (1) an analysis core and (2) a C++-language subprogram that implements a Windows-based graphical user interface (GUI) for controlling the core. The GUI relieves the user of the sometimes tedious task of preparing data for the analysis core, freeing the user to concentrate on the task of fitting experimental data and ultimately obtaining a set of material parameters. The analysis core consists of three modules: one for GVIPS material models, an analysis module containing a specialized finite-element solution algorithm, and an optimization module. COMPARE solves the problem of finding GVIPS material parameters in the manner of a design-optimization problem in which the parameters are the design variables.

Intraspecific Variation and Phylogenetic Relationships Are Revealed by ITS1 Secondary Structure Analysis and Single-Nucleotide Polymorphism in Ganoderma lucidum

PubMed Central

Pei, Haisheng; Chen, Zhou; Tan, Xiaoyan; Hu, Jing; Yang, Bin; Sun, Junshe

2017-01-01

Ganoderma lucidum is a typical polypore fungus used for traditional Chinese medical purposes. The taxonomic delimitation of Ganoderma lucidum is still debated. In this study, we sequenced seven internal transcribed spacer (ITS) sequences of Ganoderma lucidum strains and annotated the ITS1 and ITS2 regions. Phylogenetic analysis of ITS1 differentiated the strains into three geographic groups. Groups 1–3 were originated from Europe, tropical Asia, and eastern Asia, respectively. While ITS2 could only differentiate the strains into two groups in which Group 2 originated from tropical Asia gathered with Groups 1 and 3 originated from Europe and eastern Asia. By determining the secondary structures of the ITS1 sequences, these three groups exhibited similar structures with a conserved central core and differed helices. While compared to Group 2, Groups 1 and 3 of ITS2 sequences shared similar structures with the difference in helix 4. Large-scale evaluation of ITS1 and ITS2 both exhibited that the majority of subgroups in the same group shared the similar structures. Further Weblogo analysis of ITS1 sequences revealed two main variable regions located in helix 2 in which C/T or A/G substitutions frequently occurred and ITS1 exhibited more nucleotide variances compared to ITS2. ITS1 multi-alignment of seven spawn strains and culture tests indicated that a single-nucleotide polymorphism (SNP) site at position 180 correlated with strain antagonism. The HZ, TK and 203 fusion strains of Ganoderma lucidum had a T at position 180, whereas other strains exhibiting antagonism, including DB, RB, JQ, and YS, had a C. Taken together, compared to ITS2 region, ITS1 region could differentiated Ganoderma lucidum into three geographic originations based on phylogenetic analysis and secondary structure prediction. Besides, a SNP in ITS 1 could delineate Ganoderma lucidum strains at the intraspecific level. These findings will be implemented to improve species quality control in the Ganoderma industry. PMID:28056060

Intraspecific Variation and Phylogenetic Relationships Are Revealed by ITS1 Secondary Structure Analysis and Single-Nucleotide Polymorphism in Ganoderma lucidum.

PubMed

Zhang, Xiuqing; Xu, Zhangyang; Pei, Haisheng; Chen, Zhou; Tan, Xiaoyan; Hu, Jing; Yang, Bin; Sun, Junshe

2017-01-01

Ganoderma lucidum is a typical polypore fungus used for traditional Chinese medical purposes. The taxonomic delimitation of Ganoderma lucidum is still debated. In this study, we sequenced seven internal transcribed spacer (ITS) sequences of Ganoderma lucidum strains and annotated the ITS1 and ITS2 regions. Phylogenetic analysis of ITS1 differentiated the strains into three geographic groups. Groups 1-3 were originated from Europe, tropical Asia, and eastern Asia, respectively. While ITS2 could only differentiate the strains into two groups in which Group 2 originated from tropical Asia gathered with Groups 1 and 3 originated from Europe and eastern Asia. By determining the secondary structures of the ITS1 sequences, these three groups exhibited similar structures with a conserved central core and differed helices. While compared to Group 2, Groups 1 and 3 of ITS2 sequences shared similar structures with the difference in helix 4. Large-scale evaluation of ITS1 and ITS2 both exhibited that the majority of subgroups in the same group shared the similar structures. Further Weblogo analysis of ITS1 sequences revealed two main variable regions located in helix 2 in which C/T or A/G substitutions frequently occurred and ITS1 exhibited more nucleotide variances compared to ITS2. ITS1 multi-alignment of seven spawn strains and culture tests indicated that a single-nucleotide polymorphism (SNP) site at position 180 correlated with strain antagonism. The HZ, TK and 203 fusion strains of Ganoderma lucidum had a T at position 180, whereas other strains exhibiting antagonism, including DB, RB, JQ, and YS, had a C. Taken together, compared to ITS2 region, ITS1 region could differentiated Ganoderma lucidum into three geographic originations based on phylogenetic analysis and secondary structure prediction. Besides, a SNP in ITS 1 could delineate Ganoderma lucidum strains at the intraspecific level. These findings will be implemented to improve species quality control in the Ganoderma industry.

Efficient multitasking of Choleski matrix factorization on CRAY supercomputers

NASA Technical Reports Server (NTRS)

Overman, Andrea L.; Poole, Eugene L.

1991-01-01

A Choleski method is described and used to solve linear systems of equations that arise in large scale structural analysis. The method uses a novel variable-band storage scheme and is structured to exploit fast local memory caches while minimizing data access delays between main memory and vector registers. Several parallel implementations of this method are described for the CRAY-2 and CRAY Y-MP computers demonstrating the use of microtasking and autotasking directives. A portable parallel language, FORCE, is used for comparison with the microtasked and autotasked implementations. Results are presented comparing the matrix factorization times for three representative structural analysis problems from runs made in both dedicated and multi-user modes on both computers. CPU and wall clock timings are given for the parallel implementations and are compared to single processor timings of the same algorithm.

Towards Long-Range RNA Structure Prediction in Eukaryotic Genes.

PubMed

Pervouchine, Dmitri D

2018-06-15

The ability to form an intramolecular structure plays a fundamental role in eukaryotic RNA biogenesis. Proximate regions in the primary transcripts fold into a local secondary structure, which is then hierarchically assembled into a tertiary structure that is stabilized by RNA-binding proteins and long-range intramolecular base pairings. While the local RNA structure can be predicted reasonably well for short sequences, long-range structure at the scale of eukaryotic genes remains problematic from the computational standpoint. The aim of this review is to list functional examples of long-range RNA structures, to summarize current comparative methods of structure prediction, and to highlight their advances and limitations in the context of long-range RNA structures. Most comparative methods implement the “first-align-then-fold” principle, i.e., they operate on multiple sequence alignments, while functional RNA structures often reside in non-conserved parts of the primary transcripts. The opposite “first-fold-then-align” approach is currently explored to a much lesser extent. Developing novel methods in both directions will improve the performance of comparative RNA structure analysis and help discover novel long-range structures, their higher-order organization, and RNA⁻RNA interactions across the transcriptome.

Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures

DOE PAGES

Hubin, Elizabeth A.; Lilic, Mirjana; Darst, Seth A.; ...

2017-07-13

The mycobacteria RNA polymerase (RNAP) is a target for antimicrobials against tuberculosis, motivating structure/function studies. Here we report a 3.2 Å-resolution crystal structure of a Mycobacterium smegmatis (Msm) open promoter complex (RPo), along with structural analysis of the Msm RPo and a previously reported 2.76 Å-resolution crystal structure of an Msm transcription initiation complex with a promoter DNA fragment. We observe the interaction of the Msm RNAP α-subunit C-terminal domain (αCTD) with DNA, and we provide evidence that the a CTD may play a role in Mtb transcription regulation. Here, our results reveal the structure of an Actinobacteria-unique insert ofmore » the RNAP β' subunit. Finally, our analysis reveals the disposition of the N-terminal segment of Msm σ A, which may comprise an intrinsically disordered protein domain unique to mycobacteria. The clade-specific features of the mycobacteria RNAP provide clues to the profound instability of mycobacteria RPo compared with E. coli.« less

Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures

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

Hubin, Elizabeth A.; Lilic, Mirjana; Darst, Seth A.

The mycobacteria RNA polymerase (RNAP) is a target for antimicrobials against tuberculosis, motivating structure/function studies. Here we report a 3.2 Å-resolution crystal structure of a Mycobacterium smegmatis (Msm) open promoter complex (RPo), along with structural analysis of the Msm RPo and a previously reported 2.76 Å-resolution crystal structure of an Msm transcription initiation complex with a promoter DNA fragment. We observe the interaction of the Msm RNAP α-subunit C-terminal domain (αCTD) with DNA, and we provide evidence that the αCTD may play a role in Mtb transcription regulation. Our results reveal the structure of an Actinobacteria-unique insert of the RNAPmore » β' subunit. Finally, our analysis reveals the disposition of the N-terminal segment of Msm σA, which may comprise an intrinsically disordered protein domain unique to mycobacteria. The clade-specific features of the mycobacteria RNAP provide clues to the profound instability of mycobacteria RPo compared with E. coli.« less

Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures

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

Hubin, Elizabeth A.; Lilic, Mirjana; Darst, Seth A.

The mycobacteria RNA polymerase (RNAP) is a target for antimicrobials against tuberculosis, motivating structure/function studies. Here we report a 3.2 Å-resolution crystal structure of a Mycobacterium smegmatis (Msm) open promoter complex (RPo), along with structural analysis of the Msm RPo and a previously reported 2.76 Å-resolution crystal structure of an Msm transcription initiation complex with a promoter DNA fragment. We observe the interaction of the Msm RNAP α-subunit C-terminal domain (αCTD) with DNA, and we provide evidence that the a CTD may play a role in Mtb transcription regulation. Here, our results reveal the structure of an Actinobacteria-unique insert ofmore » the RNAP β' subunit. Finally, our analysis reveals the disposition of the N-terminal segment of Msm σ A, which may comprise an intrinsically disordered protein domain unique to mycobacteria. The clade-specific features of the mycobacteria RNAP provide clues to the profound instability of mycobacteria RPo compared with E. coli.« less

Comparative studies of industrial grade carbon black powders

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

Chawla, Komal, E-mail: komalchawla.rs@gmail.com; Chauhan, Alok P. S., E-mail: chauhan.alok@gmail.com, E-mail: alok.chauhan@alumni.stonybrook.edu

Comparative studies of two dissimilar industrial grade Carbon Black (CB) powders (N375 and N405) were conducted. The structure, surface area and particle size are the three important characteristics of CB powder that determine their processability and application as filler in preparing rubber compounds. The powders were characterized for their structure using dibutyl phthalate absorption (DBPA), particle size via laser particle size analyzer and surface area by nitrogen adsorption method. The structural characterization showed that N405 had lower DBPA in comparison to N375, confirming low structure of N405 grade CB powder. It was observed from the particle size analysis that N375more » was coarser than N405 grade CB. The total surface area values were determined by the BET method based on the cross sectional area of the nitrogen molecule. N375, a coarse grade CB powder with high structure, depicted less surface area as compared to N405.« less

Temperature-Dependent Modeling and Crosstalk Analysis in Mixed Carbon Nanotube Bundle Interconnects

NASA Astrophysics Data System (ADS)

Rai, Mayank Kumar; Garg, Harsh; Kaushik, B. K.

2017-08-01

The temperature-dependent circuit modeling and performance analysis in terms of crosstalk in capacitively coupled mixed carbon nanotube bundle (MCB) interconnects, at the far end of the victim line, have been analyzed with four different structures of MCBs (MCB-1, MCB-2, MCB-3 and MCB-4) constituted under case 1 and case 2 at the 22-nm technology node. The impact of tunneling and intershell coupling between adjacent shells on temperature-dependent equivalent circuit parameters of a multi-walled carbon nanotube bundle are also critically analyzed and employed for different MCB structures under case 1. A similar analysis is performed for copper interconnects and comparisons are made between results obtained through these analyses over temperatures ranging from 300 K to 500 K. The simulation program with integrated circuit emphasis simulation results reveals that, compared with all MCB structures under case 1 and case 2, with rise in temperature from 300 K to 500 K, crosstalk-induced noise voltage levels at the far end of the victim line are found to be significantly large in copper. It is also observed that due to the dominance of larger temperature-dependent resistance and ground capacitance in case 1, the MCB-2 is of lower crosstalk-induced noise voltage levels than other structures of MCBs. On the other hand, the MCB-1 has smaller time duration of victim output. Results further reveal that, compared with case 2 of MCB, with rise in temperatures, the victim line gets less prone to crosstalk-induced noise in MCB interconnects constituted under case 1, due to tunneling effects and intershell coupling between adjacent shells. Based on these comparative results, a promising MCB structure (MCB-2) has been proposed among other structures under the consideration of tunneling effects and intershell coupling (case 1).

Identification of both copy number variation-type and constant-type core elements in a large segmental duplication region of the mouse genome

PubMed Central

2013-01-01

Background Copy number variation (CNV), an important source of diversity in genomic structure, is frequently found in clusters called CNV regions (CNVRs). CNVRs are strongly associated with segmental duplications (SDs), but the composition of these complex repetitive structures remains unclear. Results We conducted self-comparative-plot analysis of all mouse chromosomes using the high-speed and large-scale-homology search algorithm SHEAP. For eight chromosomes, we identified various types of large SD as tartan-checked patterns within the self-comparative plots. A complex arrangement of diagonal split lines in the self-comparative-plots indicated the presence of large homologous repetitive sequences. We focused on one SD on chromosome 13 (SD13M), and developed SHEPHERD, a stepwise ab initio method, to extract longer repetitive elements and to characterize repetitive structures in this region. Analysis using SHEPHERD showed the existence of 60 core elements, which were expected to be the basic units that form SDs within the repetitive structure of SD13M. The demonstration that sequences homologous to the core elements (>70% homology) covered approximately 90% of the SD13M region indicated that our method can characterize the repetitive structure of SD13M effectively. Core elements were composed largely of fragmented repeats of a previously identified type, such as long interspersed nuclear elements (LINEs), together with partial genic regions. Comparative genome hybridization array analysis showed that whereas 42 core elements were components of CNVR that varied among mouse strains, 8 did not vary among strains (constant type), and the status of the others could not be determined. The CNV-type core elements contained significantly larger proportions of long terminal repeat (LTR) types of retrotransposon than the constant-type core elements, which had no CNV. The higher divergence rates observed in the CNV-type core elements than in the constant type indicate that the CNV-type core elements have a longer evolutionary history than constant-type core elements in SD13M. Conclusions Our methodology for the identification of repetitive core sequences simplifies characterization of the structures of large SDs and detailed analysis of CNV. The results of detailed structural and quantitative analyses in this study might help to elucidate the biological role of one of the SDs on chromosome 13. PMID:23834397

Comparative Logic Modeling for Policy Analysis: The Case of HIV Testing Policy Change at the Department of Veterans Affairs

PubMed Central

Langer, Erika M; Gifford, Allen L; Chan, Kee

2011-01-01

Objective Logic models have been used to evaluate policy programs, plan projects, and allocate resources. Logic Modeling for policy analysis has been used rarely in health services research but can be helpful in evaluating the content and rationale of health policies. Comparative Logic Modeling is used here on human immunodeficiency virus (HIV) policy statements from the Department of Veterans Affairs (VA) and Centers for Disease Control and Prevention (CDC). We created visual representations of proposed HIV screening policy components in order to evaluate their structural logic and research-based justifications. Data Sources and Study Design We performed content analysis of VA and CDC HIV testing policy documents in a retrospective case study. Data Collection Using comparative Logic Modeling, we examined the content and primary sources of policy statements by the VA and CDC. We then quantified evidence-based causal inferences within each statement. Principal Findings VA HIV testing policy structure largely replicated that of the CDC guidelines. Despite similar design choices, chosen research citations did not overlap. The agencies used evidence to emphasize different components of the policies. Conclusion Comparative Logic Modeling can be used by health services researchers and policy analysts more generally to evaluate structural differences in health policies and to analyze research-based rationales used by policy makers. PMID:21689094

Relaxation mode analysis of a peptide system: comparison with principal component analysis.

PubMed

Mitsutake, Ayori; Iijima, Hiromitsu; Takano, Hiroshi

2011-10-28

This article reports the first attempt to apply the relaxation mode analysis method to a simulation of a biomolecular system. In biomolecular systems, the principal component analysis is a well-known method for analyzing the static properties of fluctuations of structures obtained by a simulation and classifying the structures into some groups. On the other hand, the relaxation mode analysis has been used to analyze the dynamic properties of homopolymer systems. In this article, a long Monte Carlo simulation of Met-enkephalin in gas phase has been performed. The results are analyzed by the principal component analysis and relaxation mode analysis methods. We compare the results of both methods and show the effectiveness of the relaxation mode analysis.

Development of an integrated aeroservoelastic analysis program and correlation with test data

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Brenner, M. J.; Voelker, L. S.

1991-01-01

The details and results are presented of the general-purpose finite element STructural Analysis RoutineS (STARS) to perform a complete linear aeroelastic and aeroservoelastic analysis. The earlier version of the STARS computer program enabled effective finite element modeling as well as static, vibration, buckling, and dynamic response of damped and undamped systems, including those with pre-stressed and spinning structures. Additions to the STARS program include aeroelastic modeling for flutter and divergence solutions, and hybrid control system augmentation for aeroservoelastic analysis. Numerical results of the X-29A aircraft pertaining to vibration, flutter-divergence, and open- and closed-loop aeroservoelastic controls analysis are compared to ground vibration, wind-tunnel, and flight-test results. The open- and closed-loop aeroservoelastic control analyses are based on a hybrid formulation representing the interaction of structural, aerodynamic, and flight-control dynamics.

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.

The impact of structural uncertainty on cost-effectiveness models for adjuvant endocrine breast cancer treatments: the need for disease-specific model standardization and improved guidance.

PubMed

Frederix, Gerardus W J; van Hasselt, Johan G C; Schellens, Jan H M; Hövels, Anke M; Raaijmakers, Jan A M; Huitema, Alwin D R; Severens, Johan L

2014-01-01

Structural uncertainty relates to differences in model structure and parameterization. For many published health economic analyses in oncology, substantial differences in model structure exist, leading to differences in analysis outcomes and potentially impacting decision-making processes. The objectives of this analysis were (1) to identify differences in model structure and parameterization for cost-effectiveness analyses (CEAs) comparing tamoxifen and anastrazole for adjuvant breast cancer (ABC) treatment; and (2) to quantify the impact of these differences on analysis outcome metrics. The analysis consisted of four steps: (1) review of the literature for identification of eligible CEAs; (2) definition and implementation of a base model structure, which included the core structural components for all identified CEAs; (3) definition and implementation of changes or additions in the base model structure or parameterization; and (4) quantification of the impact of changes in model structure or parameterizations on the analysis outcome metrics life-years gained (LYG), incremental costs (IC) and the incremental cost-effectiveness ratio (ICER). Eleven CEA analyses comparing anastrazole and tamoxifen as ABC treatment were identified. The base model consisted of the following health states: (1) on treatment; (2) off treatment; (3) local recurrence; (4) metastatic disease; (5) death due to breast cancer; and (6) death due to other causes. The base model estimates of anastrazole versus tamoxifen for the LYG, IC and ICER were 0.263 years, €3,647 and €13,868/LYG, respectively. In the published models that were evaluated, differences in model structure included the addition of different recurrence health states, and associated transition rates were identified. Differences in parameterization were related to the incidences of recurrence, local recurrence to metastatic disease, and metastatic disease to death. The separate impact of these model components on the LYG ranged from 0.207 to 0.356 years, while incremental costs ranged from €3,490 to €3,714 and ICERs ranged from €9,804/LYG to €17,966/LYG. When we re-analyzed the published CEAs in our framework by including their respective model properties, the LYG ranged from 0.207 to 0.383 years, IC ranged from €3,556 to €3,731 and ICERs ranged from €9,683/LYG to €17,570/LYG. Differences in model structure and parameterization lead to substantial differences in analysis outcome metrics. This analysis supports the need for more guidance regarding structural uncertainty and the use of standardized disease-specific models for health economic analyses of adjuvant endocrine breast cancer therapies. The developed approach in the current analysis could potentially serve as a template for further evaluations of structural uncertainty and development of disease-specific models.

Safety and design in airplane construction

NASA Technical Reports Server (NTRS)

Teichmann, Alfred

1934-01-01

The author gives a survey of the principles of stress analysis and design of airplane structures, and discusses the fundamental strength specifications and their effect on the stress analysis as compared with the safety factors used in other branches of engineering.

Dynamic analysis of the deployment for mesh reflector deployable antennas with the cable-net structure

NASA Astrophysics Data System (ADS)

Zhang, Yiqun; Li, Na; Yang, Guigeng; Ru, Wenrui

2017-02-01

This paper presents a dynamic analysis approach for the composite structure of a deployable truss and cable-net system. An Elastic Catenary Element is adopted to model the slack/tensioned cables. Then, from the energy standpoint, the kinetic energy, elasticity-potential energy and geopotential energy of the cable-net structure and deployable truss are derived. Thus, the flexible multi-body dynamic model of the deployable antenna is built based on the Lagrange equation. The effect of the cable-net tension on the antenna truss is discussed and compared with previous publications and a dynamic deployment analysis is performed. Both the simulation and experimental results verify the validity of the method presented.

Correlation of RNA secondary structure statistics with thermodynamic stability and applications to folding.

PubMed

Wu, Johnny C; Gardner, David P; Ozer, Stuart; Gutell, Robin R; Ren, Pengyu

2009-08-28

The accurate prediction of the secondary and tertiary structure of an RNA with different folding algorithms is dependent on several factors, including the energy functions. However, an RNA higher-order structure cannot be predicted accurately from its sequence based on a limited set of energy parameters. The inter- and intramolecular forces between this RNA and other small molecules and macromolecules, in addition to other factors in the cell such as pH, ionic strength, and temperature, influence the complex dynamics associated with transition of a single stranded RNA to its secondary and tertiary structure. Since all of the factors that affect the formation of an RNAs 3D structure cannot be determined experimentally, statistically derived potential energy has been used in the prediction of protein structure. In the current work, we evaluate the statistical free energy of various secondary structure motifs, including base-pair stacks, hairpin loops, and internal loops, using their statistical frequency obtained from the comparative analysis of more than 50,000 RNA sequences stored in the RNA Comparative Analysis Database (rCAD) at the Comparative RNA Web (CRW) Site. Statistical energy was computed from the structural statistics for several datasets. While the statistical energy for a base-pair stack correlates with experimentally derived free energy values, suggesting a Boltzmann-like distribution, variation is observed between different molecules and their location on the phylogenetic tree of life. Our statistical energy values calculated for several structural elements were utilized in the Mfold RNA-folding algorithm. The combined statistical energy values for base-pair stacks, hairpins and internal loop flanks result in a significant improvement in the accuracy of secondary structure prediction; the hairpin flanks contribute the most.

Comparative analysis of quantitative efficiency evaluation methods for transportation networks

PubMed Central

He, Yuxin; Hong, Jian

2017-01-01

An effective evaluation of transportation network efficiency could offer guidance for the optimal control of urban traffic. Based on the introduction and related mathematical analysis of three quantitative evaluation methods for transportation network efficiency, this paper compares the information measured by them, including network structure, traffic demand, travel choice behavior and other factors which affect network efficiency. Accordingly, the applicability of various evaluation methods is discussed. Through analyzing different transportation network examples it is obtained that Q-H method could reflect the influence of network structure, traffic demand and user route choice behavior on transportation network efficiency well. In addition, the transportation network efficiency measured by this method and Braess’s Paradox can be explained with each other, which indicates a better evaluation of the real operation condition of transportation network. Through the analysis of the network efficiency calculated by Q-H method, it can also be drawn that a specific appropriate demand is existed to a given transportation network. Meanwhile, under the fixed demand, both the critical network structure that guarantees the stability and the basic operation of the network and a specific network structure contributing to the largest value of the transportation network efficiency can be identified. PMID:28399165

Structural Analysis of MoS2 and other 2D layered materials using LEEM/LEED-I(V) and STM

NASA Astrophysics Data System (ADS)

Grady, Maxwell; Dai, Zhongwei; Jin, Wencan; Dadap, Jerry; Osgood, Richard; Sadowski, Jerzy; Pohl, Karsten

Layered two-dimensional materials, such as molybdenum disulfide, MoS2, are of interest for the development of many types of novel electronic devices. To fully understand the interfaces between these new materials, the atomic reconstructions at their surfaces must be understood. Low Energy Electron Microscopy and Diffraction, LEEM/ μLEED, present a unique method for rapid material characterization in real space and reciprocal space with high resolution. Here we present a study of the surface structure of 2H-MoS2 using μLEED intensity-voltage analysis. To aid this analysis, software is under development to automate the procedure of extracting I(V) curves from LEEM and LEED data. When matched with computational modeling, this data provides information with angstrom level resolution concerning the three dimensional atomic positions. We demonstrate that the surface structure of bulk MoS2 is distinct from the bulk crystal structure and exhibits a smaller surface relaxation at 320K compared to previous results at 95K. Furthermore, suspended monolayer samples exhibit large interlayer relaxations compared to the bulk surface termination. Further techniques for refining layer thickness determination are under development.

Autogenous teeth used for bone grafting: a comparison with traditional grafting materials.

PubMed

Kim, Young-Kyun; Kim, Su-Gwan; Yun, Pil-Young; Yeo, In-Sung; Jin, Seung-Chan; Oh, Ji-Su; Kim, Heung-Joong; Yu, Sun-Kyoung; Lee, Sook-Young; Kim, Jae-Sung; Um, In-Woong; Jeong, Mi-Ae; Kim, Gyung-Wook

2014-01-01

This study evaluated the surface structures and physicochemical characteristics of a novel autogenous tooth bone graft material currently in clinical use. The material's surface structure was compared with a variety of other bone graft materials via scanning electron microscope (SEM). The crystalline structure of the autogenous tooth bone graft material from the crown (AutoBT crown) and root (AutoBT root), xenograft (BioOss), alloplastic material (MBCP), allograft (ICB), and autogenous mandibular cortical bone were compared using x-ray diffraction (XRD) analysis. The solubility of each material was measured with the Ca/P dissolution test. The results of the SEM analysis showed that the pattern associated with AutoBT was similar to that from autogenous cortical bones. In the XRD analysis, AutoBT root and allograft showed a low crystalline structure similar to that of autogenous cortical bones. In the CaP dissolution test, the amount of calcium and phosphorus dissolution in AutoBT was significant from the beginning, while displaying a pattern similar to that of autogenous cortical bones. In conclusion, autogenous tooth bone graft materials can be considered to have physicochemical characteristics similar to those of autogenous bones. Copyright © 2014 Elsevier Inc. All rights reserved.

The influence of computational assumptions on analysing abdominal aortic aneurysm haemodynamics.

PubMed

Ene, Florentina; Delassus, Patrick; Morris, Liam

2014-08-01

The variation in computational assumptions for analysing abdominal aortic aneurysm haemodynamics can influence the desired output results and computational cost. Such assumptions for abdominal aortic aneurysm modelling include static/transient pressures, steady/transient flows and rigid/compliant walls. Six computational methods and these various assumptions were simulated and compared within a realistic abdominal aortic aneurysm model with and without intraluminal thrombus. A full transient fluid-structure interaction was required to analyse the flow patterns within the compliant abdominal aortic aneurysms models. Rigid wall computational fluid dynamics overestimates the velocity magnitude by as much as 40%-65% and the wall shear stress by 30%-50%. These differences were attributed to the deforming walls which reduced the outlet volumetric flow rate for the transient fluid-structure interaction during the majority of the systolic phase. Static finite element analysis accurately approximates the deformations and von Mises stresses when compared with transient fluid-structure interaction. Simplifying the modelling complexity reduces the computational cost significantly. In conclusion, the deformation and von Mises stress can be approximately found by static finite element analysis, while for compliant models a full transient fluid-structure interaction analysis is required for acquiring the fluid flow phenomenon. © IMechE 2014.

Molecular Eigensolution Symmetry Analysis and Fine Structure

PubMed Central

Harter, William G.; Mitchell, Justin C.

2013-01-01

Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES). Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of potential energy surfaces (PES) used in Born–Oppenheimer approximations. Both take advantage of adiabatic coupling in order to visualize Hamiltonian eigensolutions. RES of symmetric and D2 asymmetric top rank-2-tensor Hamiltonians are compared with Oh spherical top rank-4-tensor fine-structure clusters of 6-fold and 8-fold tunneling multiplets. Then extreme 12-fold and 24-fold multiplets are analyzed by RES plots of higher rank tensor Hamiltonians. Such extreme clustering is rare in fundamental bands but prevalent in hot bands, and analysis of its superfine structure requires more efficient labeling and a more powerful group theory. This is introduced using elementary examples involving two groups of order-6 (C6 and D3~C3v), then applied to families of Oh clusters in SF6 spectra and to extreme clusters. PMID:23344041

Comparative analysis of quantitative efficiency evaluation methods for transportation networks.

PubMed

He, Yuxin; Qin, Jin; Hong, Jian

2017-01-01

An effective evaluation of transportation network efficiency could offer guidance for the optimal control of urban traffic. Based on the introduction and related mathematical analysis of three quantitative evaluation methods for transportation network efficiency, this paper compares the information measured by them, including network structure, traffic demand, travel choice behavior and other factors which affect network efficiency. Accordingly, the applicability of various evaluation methods is discussed. Through analyzing different transportation network examples it is obtained that Q-H method could reflect the influence of network structure, traffic demand and user route choice behavior on transportation network efficiency well. In addition, the transportation network efficiency measured by this method and Braess's Paradox can be explained with each other, which indicates a better evaluation of the real operation condition of transportation network. Through the analysis of the network efficiency calculated by Q-H method, it can also be drawn that a specific appropriate demand is existed to a given transportation network. Meanwhile, under the fixed demand, both the critical network structure that guarantees the stability and the basic operation of the network and a specific network structure contributing to the largest value of the transportation network efficiency can be identified.

Analysis of Progressive Collapse of Complex Structures.

DTIC Science & Technology

1982-12-01

tions of wing spar roots, although developed from experimental measure- ments, did not produce purely rigid body motions for reasons explained in...support structures in the same manner as the wings had been attached to aircraft fuselages. The support structures were extremely rigid compared to the...support structures and pinned into place within small tolerance; however, some motion of the wing spar roots with respect to the supports was

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.

Carbon Nanostructure Examined by Lattice Fringe Analysis of High Resolution Transmission Electron Microscopy Images

NASA Technical Reports Server (NTRS)

VanderWal, Randy L.; Tomasek, Aaron J.; Street, Kenneth; Thompson, William K.

2002-01-01

The dimensions of graphitic layer planes directly affect the reactivity of soot towards oxidation and growth. Quantification of graphitic structure could be used to develop and test correlations between the soot nanostructure and its reactivity. Based upon transmission electron microscopy images, this paper provides a demonstration of the robustness of a fringe image analysis code for determining the level of graphitic structure within nanoscale carbon, i.e. soot. Results, in the form of histograms of graphitic layer plane lengths, are compared to their determination through Raman analysis.

Carbon Nanostructure Examined by Lattice Fringe Analysis of High Resolution Transmission Electron Microscopy Images

NASA Technical Reports Server (NTRS)

VanderWal, Randy L.; Tomasek, Aaron J.; Street, Kenneth; Thompson, William K.; Hull, David R.

2003-01-01

The dimensions of graphitic layer planes directly affect the reactivity of soot towards oxidation and growth. Quantification of graphitic structure could be used to develop and test correlations between the soot nanostructure and its reactivity. Based upon transmission electron microscopy images, this paper provides a demonstration of the robustness of a fringe image analysis code for determining the level of graphitic structure within nanoscale carbon, i.e., soot. Results, in the form of histograms of graphitic layer plane lengths, are compared to their determination through Raman analysis.

Structural dynamics of shroudless, hollow fan blades with composite in-lays

NASA Technical Reports Server (NTRS)

Aiello, R. A.; Hirschbein, M. S.; Chamis, C. C.

1982-01-01

Structural and dynamic analyses are presented for a shroudless, hollow titanium fan blade proposed for future use in aircraft turbine engines. The blade was modeled and analyzed using the composite blade structural analysis computer program (COBSTRAN); an integrated program consisting of mesh generators, composite mechanics codes, NASTRAN, and pre- and post-processors. Vibration and impact analyses are presented. The vibration analysis was conducted with COBSTRAN. Results show the effect of the centrifugal force field on frequencies, twist, and blade camber. Bird impact analysis was performed with the multi-mode blade impact computer program. This program uses the geometric model and modal analysis from the COBSTRAN vibration analysis to determine the gross impact response of the fan blades to bird strikes. The structural performance of this blade is also compared to a blade of similar design but with composite in-lays on the outer surface. Results show that the composite in-lays can be selected (designed) to substantially modify the mechanical performance of the shroudless, hollow fan blade.

Structural Dynamics Analysis and Research for FEA Modeling Method of a Light High Resolution CCD Camera

NASA Astrophysics Data System (ADS)

Sun, Jiwen; Wei, Ling; Fu, Danying

2002-01-01

resolution and wide swath. In order to assure its high optical precision smoothly passing the rigorous dynamic load of launch, it should be of high structural rigidity. Therefore, a careful study of the dynamic features of the camera structure should be performed. Pro/E. An interference examination is performed on the precise CAD model of the camera for mending the structural design. for the first time in China, and the analysis of structural dynamic of the camera is accomplished by applying the structural analysis code PATRAN and NASTRAN. The main research programs include: 1) the comparative calculation of modes analysis of the critical structure of the camera is achieved by using 4 nodes and 10 nodes tetrahedral elements respectively, so as to confirm the most reasonable general model; 2) through the modes analysis of the camera from several cases, the inherent frequencies and modes are obtained and further the rationality of the structural design of the camera is proved; 3) the static analysis of the camera under self gravity and overloads is completed and the relevant deformation and stress distributions are gained; 4) the response calculation of sine vibration of the camera is completed and the corresponding response curve and maximum acceleration response with corresponding frequencies are obtained. software technique is accurate and efficient. sensitivity, the dynamic design and engineering optimization of the critical structure of the camera are discussed. fundamental technology in design of forecoming space optical instruments.

Hydrophobic cluster analysis of G protein-coupled receptors: a powerful tool to derive structural and functional information from 2D-representation of protein sequences.

PubMed

Lentes, K U; Mathieu, E; Bischoff, R; Rasmussen, U B; Pavirani, A

1993-01-01

Current methods for comparative analyses of protein sequences are 1D-alignments of amino acid sequences based on the maximization of amino acid identity (homology) and the prediction of secondary structure elements. This method has a major drawback once the amino acid identity drops below 20-25%, since maximization of a homology score does not take into account any structural information. A new technique called Hydrophobic Cluster Analysis (HCA) has been developed by Lemesle-Varloot et al. (Biochimie 72, 555-574), 1990). This consists of comparing several sequences simultaneously and combining homology detection with secondary structure analysis. HCA is primarily based on the detection and comparison of structural segments constituting the hydrophobic core of globular protein domains, with or without transmembrane domains. We have applied HCA to the analysis of different families of G-protein coupled receptors, such as catecholamine receptors as well as peptide hormone receptors. Utilizing HCA the thrombin receptor, a new and as yet unique member of the family of G-protein coupled receptors, can be clearly classified as being closely related to the family of neuropeptide receptors rather than to the catecholamine receptors for which the shape of the hydrophobic clusters and the length of their third cytoplasmic loop are very different. Furthermore, the potential of HCA to predict relationships between new putative and already characterized members of this family of receptors will be presented.

Seismic response analysis of an instrumented building structure

USGS Publications Warehouse

Li, H.-J.; Zhu, S.-Y.; Celebi, M.

2003-01-01

The Sheraton - Universal hotel, an instrumented building lying in North Hollywood, USA is selected for case study in this paper. The finite element method is used to produce a linear time - invariant structural model, and the SAP2000 program is employed for the time history analysis of the instrumented structure under the base excitation of strong motions recorded in the basement during the Northridge, California earthquake of 17 January 1994. The calculated structural responses are compared with the recorded data in both time domain and frequency domain, and the effects of structural parameters evaluation and indeterminate factors are discussed. Some features of structural response, such as the reason why the peak responses of acceleration in the ninth floor are larger than those in the sixteenth floor, are also explained.

GoPros™ as an underwater photogrammetry tool for citizen science

PubMed Central

David, Peter A.; Dupont, Sally F.; Mathewson, Ciaran P.; O’Neill, Samuel J.; Powell, Nicholas N.; Williamson, Jane E.

2016-01-01

Citizen science can increase the scope of research in the marine environment; however, it suffers from necessitating specialized training and simplified methodologies that reduce research output. This paper presents a simplified, novel survey methodology for citizen scientists, which combines GoPro imagery and structure from motion to construct an ortho-corrected 3D model of habitats for analysis. Results using a coral reef habitat were compared to surveys conducted with traditional snorkelling methods for benthic cover, holothurian counts, and coral health. Results were comparable between the two methods, and structure from motion allows the results to be analysed off-site for any chosen visual analysis. The GoPro method outlined in this study is thus an effective tool for citizen science in the marine environment, especially for comparing changes in coral cover or volume over time. PMID:27168973

GoPros™ as an underwater photogrammetry tool for citizen science.

PubMed

Raoult, Vincent; David, Peter A; Dupont, Sally F; Mathewson, Ciaran P; O'Neill, Samuel J; Powell, Nicholas N; Williamson, Jane E

2016-01-01

Citizen science can increase the scope of research in the marine environment; however, it suffers from necessitating specialized training and simplified methodologies that reduce research output. This paper presents a simplified, novel survey methodology for citizen scientists, which combines GoPro imagery and structure from motion to construct an ortho-corrected 3D model of habitats for analysis. Results using a coral reef habitat were compared to surveys conducted with traditional snorkelling methods for benthic cover, holothurian counts, and coral health. Results were comparable between the two methods, and structure from motion allows the results to be analysed off-site for any chosen visual analysis. The GoPro method outlined in this study is thus an effective tool for citizen science in the marine environment, especially for comparing changes in coral cover or volume over time.

Power flow analysis of two coupled plates with arbitrary characteristics

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1990-01-01

In the last progress report (Feb. 1988) some results were presented for a parametric analysis on the vibrational power flow between two coupled plate structures using the mobility power flow approach. The results reported then were for changes in the structural parameters of the two plates, but with the two plates identical in their structural characteristics. Herein, limitation is removed. The vibrational power input and output are evaluated for different values of the structural damping loss factor for the source and receiver plates. In performing this parametric analysis, the source plate characteristics are kept constant. The purpose of this parametric analysis is to determine the most critical parameters that influence the flow of vibrational power from the source plate to the receiver plate. In the case of the structural damping parametric analysis, the influence of changes in the source plate damping is also investigated. The results obtained from the mobility power flow approach are compared to results obtained using a statistical energy analysis (SEA) approach. The significance of the power flow results are discussed together with a discussion and a comparison between the SEA results and the mobility power flow results. Furthermore, the benefits derived from using the mobility power flow approach are examined.

Study of subband electronic structure of Si δ-doped GaAs using magnetotransport measurements in tilted magnetic fields

NASA Astrophysics Data System (ADS)

Li, G.; Hauser, N.; Jagadish, C.; Antoszewski, J.; Xu, W.

1996-06-01

Si δ-doped GaAs grown by metal organic vapor phase epitaxy (MOVPE) is characterized using magnetotransport measurements in tilted magnetic fields. Angular dependence of the longitudinal magnetoresistance (Rxx) vs the magnetic field (B) traces in tilted magnetic fields is used to examine the existence of a quasi-two-dimensional electron gas. The subband electron densities (ni) are obtained applying fast Fourier transform (FFT) analysis to the Rxx vs B trace and using mobility spectrum (MS) analysis of the magnetic field dependent Hall data. Our results show that (1) the subband electron densities remain roughly constant when the tilted magnetic field with an angle <30° measured from the Si δ-doped plane normal is ramped up to 13 T; (2) FFT analysis of the Rxx vs B trace and MS analysis of the magnetic field dependent Hall data both give the comparable results on subband electron densities of Si δ-doped GaAs with low δ-doping concentration, however, for Si δ-doped GaAs with very high δ-doping concentration, the occupation of the lowest subbands cannot be well resolved in the MS analysis; (3) the highest subband electron mobility reported to date of 45 282 cm2/s V is observed in Si δ-doped GaAs at 77 K in the dark; and (4) the subband electron densities of Si δ-doped GaAs grown by MOVPE at 700 °C are comparable to those grown by MBE at temperatures below 600 °C. A detailed study of magnetotransport properties of Si δ-doped GaAs in the parallel magnetic fields is then carried out to further confirm the subband electronic structures revealed by FFT and MS analysis. Our results are compared to theoretical calculation previously reported in literature. In addition, influence of different cap layer structures on subband electronic structures of Si δ-doped GaAs is observed and also discussed.

An Analysis of Turkey's PISA 2015 Results Using Two-Level Hierarchical Linear Modelling

ERIC Educational Resources Information Center

Atas, Dogu; Karadag, Özge

2017-01-01

In the field of education, most of the data collected are multi-level structured. Cities, city based schools, school based classes and finally students in the classrooms constitute a hierarchical structure. Hierarchical linear models give more accurate results compared to standard models when the data set has a structure going far as individuals,…

Structural insights into a key carotenogenesis related enzyme phytoene synthase of P. falciparum: a novel drug target for malaria.

PubMed

Agarwal, Shalini; Sharma, Vijeta; Phulera, Swastik; Abdin, M Z; Ayana, R; Singh, Shailja

2015-12-01

Carotenoids represent a diverse group of pigments derived from the common isoprenoid precursors and fulfill a variety of critical functions in plants and animals. Phytoene synthase (PSY), a transferase enzyme that catalyzes the first specific step in carotenoid biosynthesis plays a central role in the regulation of a number of essential functions mediated via carotenoids. PSYs have been deeply investigated in plants, bacteria and algae however in apicomplexans it is poorly studied. In an effort to characterize PSY in apicomplexans especially the malaria parasite Plasmodium falciparum (P. falciparum), a detailed bioinformatics analysis is undertaken. We have analysed the Phylogenetic relationship of PSY also referred to as octaprenyl pyrophosphate synthase (OPPS) in P. falciparum with other taxonomic groups. Further, we in silico characterized the secondary and tertiary structures of P. falciparum PSY/OPPS and compared the tertiary structures with crystal structure of Thermotoga maritima (T. maritima) OPPS. Our results evidenced the resemblance of P. falciparum PSY with the active site of T. maritima OPPS. Interestingly, the comparative structural analysis revealed an unconserved unique loop in P. falciparum OPPS/PSY. Such structural insights might contribute novel accessory functions to the protein thus, offering potential drug targets.

Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.

PubMed

Choi, Jun Yong; Fuerst, Rita; Knapinska, Anna M; Taylor, Alexander B; Smith, Lyndsay; Cao, Xiaohang; Hart, P John; Fields, Gregg B; Roush, William R

2017-07-13

We describe the use of comparative structural analysis and structure-guided molecular design to develop potent and selective inhibitors (10d and (S)-17b) of matrix metalloproteinase 13 (MMP-13). We applied a three-step process, starting with a comparative analysis of the X-ray crystallographic structure of compound 5 in complex with MMP-13 with published structures of known MMP-13·inhibitor complexes followed by molecular design and synthesis of potent but nonselective zinc-chelating MMP inhibitors (e.g., 10a and 10b). After demonstrating that the pharmacophores of the chelating inhibitors (S)-10a, (R)-10a, and 10b were binding within the MMP-13 active site, the Zn 2+ chelating unit was replaced with nonchelating polar residues that bridged over the Zn 2+ binding site and reached into a solvent accessible area. After two rounds of structural optimization, these design approaches led to small molecule MMP-13 inhibitors 10d and (S)-17b, which bind within the substrate-binding site of MMP-13 and surround the catalytically active Zn 2+ ion without chelating to the metal. These compounds exhibit at least 500-fold selectivity versus other MMPs.

An analysis of fracture trace patterns in areas of flat-lying sedimentary rocks for the detection of buried geologic structure. [Kansas and Texas

NASA Technical Reports Server (NTRS)

Podwysocki, M. H.

1974-01-01

Two study areas in a cratonic platform underlain by flat-lying sedimentary rocks were analyzed to determine if a quantitative relationship exists between fracture trace patterns and their frequency distributions and subsurface structural closures which might contain petroleum. Fracture trace lengths and frequency (number of fracture traces per unit area) were analyzed by trend surface analysis and length frequency distributions also were compared to a standard Gaussian distribution. Composite rose diagrams of fracture traces were analyzed using a multivariate analysis method which grouped or clustered the rose diagrams and their respective areas on the basis of the behavior of the rays of the rose diagram. Analysis indicates that the lengths of fracture traces are log-normally distributed according to the mapping technique used. Fracture trace frequency appeared higher on the flanks of active structures and lower around passive reef structures. Fracture trace log-mean lengths were shorter over several types of structures, perhaps due to increased fracturing and subsequent erosion. Analysis of rose diagrams using a multivariate technique indicated lithology as the primary control for the lower grouping levels. Groupings at higher levels indicated that areas overlying active structures may be isolated from their neighbors by this technique while passive structures showed no differences which could be isolated.

Micro-heterogeneity versus clustering in binary mixtures of ethanol with water or alkanes.

PubMed

Požar, Martina; Lovrinčević, Bernarda; Zoranić, Larisa; Primorać, Tomislav; Sokolić, Franjo; Perera, Aurélien

2016-08-24

Ethanol is a hydrogen bonding liquid. When mixed in small concentrations with water or alkanes, it forms aggregate structures reminiscent of, respectively, the direct and inverse micellar aggregates found in emulsions, albeit at much smaller sizes. At higher concentrations, micro-heterogeneous mixing with segregated domains is found. We examine how different statistical methods, namely correlation function analysis, structure factor analysis and cluster distribution analysis, can describe efficiently these morphological changes in these mixtures. In particular, we explain how the neat alcohol pre-peak of the structure factor evolves into the domain pre-peak under mixing conditions, and how this evolution differs whether the co-solvent is water or alkane. This study clearly establishes the heuristic superiority of the correlation function/structure factor analysis to study the micro-heterogeneity, since cluster distribution analysis is insensitive to domain segregation. Correlation functions detect the domains, with a clear structure factor pre-peak signature, while the cluster techniques detect the cluster hierarchy within domains. The main conclusion is that, in micro-segregated mixtures, the domain structure is a more fundamental statistical entity than the underlying cluster structures. These findings could help better understand comparatively the radiation scattering experiments, which are sensitive to domains, versus the spectroscopy-NMR experiments, which are sensitive to clusters.

Computer-aided design of antenna structures and components

NASA Technical Reports Server (NTRS)

Levy, R.

1976-01-01

This paper discusses computer-aided design procedures for antenna reflector structures and related components. The primary design aid is a computer program that establishes cross sectional sizes of the structural members by an optimality criterion. Alternative types of deflection-dependent objectives can be selected for designs subject to constraints on structure weight. The computer program has a special-purpose formulation to design structures of the type frequently used for antenna construction. These structures, in common with many in other areas of application, are represented by analytical models that employ only the three translational degrees of freedom at each node. The special-purpose construction of the program, however, permits coding and data management simplifications that provide advantages in problem size and execution speed. Size and speed are essentially governed by the requirements of structural analysis and are relatively unaffected by the added requirements of design. Computation times to execute several design/analysis cycles are comparable to the times required by general-purpose programs for a single analysis cycle. Examples in the paper illustrate effective design improvement for structures with several thousand degrees of freedom and within reasonable computing times.

PACM: A Two-Stage Procedure for Analyzing Structural Models.

ERIC Educational Resources Information Center

Lehmann, Donald R.; Gupta, Sunil

1989-01-01

Path Analysis of Covariance Matrix (PACM) is described as a way to separately estimate measurement and structural models using standard least squares procedures. PACM was empirically compared to simultaneous maximum likelihood estimation and use of the LISREL computer program, and its advantages are identified. (SLD)

"Structures of Feeling" in Curriculum and Teaching: Theorizing the Emotional Rules.

ERIC Educational Resources Information Center

Zembylas, Michalinos

2002-01-01

Explores how discursive, political, and cultural aspects define the experience of teacher emotion, comparing Raymond Williams' concept of "structure of feeling" with Foucauldian poststructuralism, especially the notions of discourse analysis and power relations. The paper theorizes about the development and definition of emotional rules…

Tertiary structure prediction and identification of druggable pocket in the cancer biomarker – Osteopontin-c

PubMed Central

2014-01-01

Background Osteopontin (Eta, secreted sialoprotein 1, opn) is secreted from different cell types including cancer cells. Three splice variant forms namely osteopontin-a, osteopontin-b and osteopontin-c have been identified. The main astonishing feature is that osteopontin-c is found to be elevated in almost all types of cancer cells. This was the vital point to consider it for sequence analysis and structure predictions which provide ample chances for prognostic, therapeutic and preventive cancer research. Methods Osteopontin-c gene sequence was determined from Breast Cancer sample and was translated to protein sequence. It was then analyzed using various software and web tools for binding pockets, docking and druggability analysis. Due to the lack of homological templates, tertiary structure was predicted using ab-initio method server – I-TASSER and was evaluated after refinement using web tools. Refined structure was compared with known bone sialoprotein electron microscopic structure and docked with CD44 for binding analysis and binding pockets were identified for drug designing. Results Signal sequence of about sixteen amino acid residues was identified using signal sequence prediction servers. Due to the absence of known structures of similar proteins, three dimensional structure of osteopontin-c was predicted using I-TASSER server. The predicted structure was refined with the help of SUMMA server and was validated using SAVES server. Molecular dynamic analysis was carried out using GROMACS software. The final model was built and was used for docking with CD44. Druggable pockets were identified using pocket energies. Conclusions The tertiary structure of osteopontin-c was predicted successfully using the ab-initio method and the predictions showed that osteopontin-c is of fibrous nature comparable to firbronectin. Docking studies showed the significant similarities of QSAET motif in the interaction of CD44 and osteopontins between the normal and splice variant forms of osteopontins and binding pockets analyses revealed several pockets which paved the way to the identification of a druggable pocket. PMID:24401206

Image Analysis Technique for Material Behavior Evaluation in Civil Structures

PubMed Central

Moretti, Michele; Rossi, Gianluca

2017-01-01

The article presents a hybrid monitoring technique for the measurement of the deformation field. The goal is to obtain information about crack propagation in existing structures, for the purpose of monitoring their state of health. The measurement technique is based on the capture and analysis of a digital image set. Special markers were used on the surface of the structures that can be removed without damaging existing structures as the historical masonry. The digital image analysis was done using software specifically designed in Matlab to follow the tracking of the markers and determine the evolution of the deformation state. The method can be used in any type of structure but is particularly suitable when it is necessary not to damage the surface of structures. A series of experiments carried out on masonry walls of the Oliverian Museum (Pesaro, Italy) and Palazzo Silvi (Perugia, Italy) have allowed the validation of the procedure elaborated by comparing the results with those derived from traditional measuring techniques. PMID:28773129

Image Analysis Technique for Material Behavior Evaluation in Civil Structures.

PubMed

Speranzini, Emanuela; Marsili, Roberto; Moretti, Michele; Rossi, Gianluca

2017-07-08

The article presents a hybrid monitoring technique for the measurement of the deformation field. The goal is to obtain information about crack propagation in existing structures, for the purpose of monitoring their state of health. The measurement technique is based on the capture and analysis of a digital image set. Special markers were used on the surface of the structures that can be removed without damaging existing structures as the historical masonry. The digital image analysis was done using software specifically designed in Matlab to follow the tracking of the markers and determine the evolution of the deformation state. The method can be used in any type of structure but is particularly suitable when it is necessary not to damage the surface of structures. A series of experiments carried out on masonry walls of the Oliverian Museum (Pesaro, Italy) and Palazzo Silvi (Perugia, Italy) have allowed the validation of the procedure elaborated by comparing the results with those derived from traditional measuring techniques.

Analysis of the electromechanical characteristics of a piezoelectric multilayered structure for in-air ultrasound radiation

NASA Astrophysics Data System (ADS)

Shim, Hayeong; Roh, Yongrae

2018-07-01

Ultrasonic sensors in air are used to measure distances from obstacles in household appliances, automobiles, and other areas. Among these ultrasonic sensors in air, sensors using disk-shaped piezoelectric ceramics are composed of a multilayered structure having a vibrational plate, a piezoelectric ceramic disk, and a backing layer. In this study, we derived theoretical equations that can accurately analyze the acoustic characteristics of the piezoelectric multilayered structure, and then analyzed the performance of the ultrasonic sensor according to the geometrical change of the multilayered structure. The characteristics analyzed were the resonant frequency and the radiated sound pressure at a far field of the sensor. The validity of the theoretical analysis was verified by comparing the results with those obtained from the finite element analysis of the same structure. The exact functional forms of the resonant frequency of and the radiated sound pressure from the piezoelectric multilayered structure derived in this study can be directly utilized to maximize the performance of various ultrasonic sensors in air.

Hybrid Wing-Body Pressurized Fuselage and Bulkhead, Design and Optimization

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

2013-01-01

The structural weight reduction of a pressurized Hybrid Wing-Body (HWB) fuselage is a serious challenge. Hence, research and development are presently being continued at NASA under the Environmentally Responsible Aviation (ERA) and Subsonic Fixed Wing (SFW) projects in collaboration with the Boeing Company, Huntington Beach and Air Force Research Laboratory (AFRL). In this paper, a structural analysis of the HWB fuselage and bulkhead panels is presented, with the objectives of design improvement and structural weight reduction. First, orthotropic plate theories for sizing, and equivalent plate analysis with appropriate simplification are considered. Then parametric finite-element analysis of a fuselage section and bulkhead are conducted using advanced stitched composite structural concepts, which are presently being developed at Boeing for pressurized HWB flight vehicles. With this advanced stiffened-shell design, structural weights are computed and compared to the thick sandwich, vaulted-ribbed-shell, and multi-bubble stiffened-shell structural concepts that had been studied previously. The analytical and numerical results are discussed to assess the overall weight/strength advantages.

Excitonic enhancement of nonradiative energy transfer to bulk silicon with the hybridization of cascaded quantum dots

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

Yeltik, Aydan; Guzelturk, Burak; Akhavan, Shahab

2013-12-23

We report enhanced sensitization of silicon through nonradiative energy transfer (NRET) of the excitons in an energy-gradient structure composed of a cascaded bilayer of green- and red-emitting CdTe quantum dots (QDs) on bulk silicon. Here NRET dynamics were systematically investigated comparatively for the cascaded energy-gradient and mono-dispersed QD structures at room temperature. We show experimentally that NRET from the QD layer into silicon is enhanced by 40% in the case of an energy-gradient cascaded structure as compared to the mono-dispersed structures, which is in agreement with the theoretical analysis based on the excited state population-depopulation dynamics of the QDs.

Structural Analysis of Chemokine Receptor–Ligand Interactions

PubMed Central

2017-01-01

This review focuses on the construction and application of structural chemokine receptor models for the elucidation of molecular determinants of chemokine receptor modulation and the structure-based discovery and design of chemokine receptor ligands. A comparative analysis of ligand binding pockets in chemokine receptors is presented, including a detailed description of the CXCR4, CCR2, CCR5, CCR9, and US28 X-ray structures, and their implication for modeling molecular interactions of chemokine receptors with small-molecule ligands, peptide ligands, and large antibodies and chemokines. These studies demonstrate how the integration of new structural information on chemokine receptors with extensive structure–activity relationship and site-directed mutagenesis data facilitates the prediction of the structure of chemokine receptor–ligand complexes that have not been crystallized. Finally, a review of structure-based ligand discovery and design studies based on chemokine receptor crystal structures and homology models illustrates the possibilities and challenges to find novel ligands for chemokine receptors. PMID:28165741

POD/MAC-Based Modal Basis Selection for a Reduced Order Nonlinear Response Analysis

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Przekop, Adam

2007-01-01

A feasibility study was conducted to explore the applicability of a POD/MAC basis selection technique to a nonlinear structural response analysis. For the case studied the application of the POD/MAC technique resulted in a substantial improvement of the reduced order simulation when compared to a classic approach utilizing only low frequency modes present in the excitation bandwidth. Further studies are aimed to expand application of the presented technique to more complex structures including non-planar and two-dimensional configurations. For non-planar structures the separation of different displacement components may not be necessary or desirable.

Structure-Function Correlation Using Confocal Laser Ophthalmoscope in Primary Open-Angle Glaucoma and Pseudoexfoliative Glaucoma.

PubMed

Pappas, Theofanis; Founti, Panayiota; Yin, Xiang Jun; Koskosas, Archimidis; Anastasopoulos, Eleftherios; Salonikiou, Angeliki; Kilintzis, Vasilios; Antoniadis, Antonios; Ziakas, Nikolaos; Topouzis, Fotis

2016-04-01

To compare Heidelberg Retina Tomograph (HRT) optic disc parameters and structure-function correlation between primary open-angle glaucoma (POAG) and pseudoexfoliative glaucoma (PEXG). Prospective, observation case series. A total of 54 POAG and 33 PEXG cases, consecutively recruited from a University Glaucoma Service, underwent a comprehensive ophthalmic examination, including HRT optic disc imaging. Glaucoma definition required the presence of both structural and functional damage. One eye per subject was included in the analysis. T test, Mann-Whitney U test, and analysis of covariance were used to compare HRT parameters between POAG and PEXG, adjusting for age, mean deviation (MD) in the visual field, intraocular pressure, and disc area. The correlation between HRT and MD was assessed in each group. Cup area (P=0.048), height variation contour (P=0.016), and cup/disc area ratio (P=0.023) were higher in POAG, whereas the mean retinal nerve fiber layer thickness (P=0.048), retinal nerve fiber layer cross-section area (P=0.044), and rim area (P=0.048) were lower in POAG, compared with PEXG. The correlation of HRT parameters with MD was significant only in the POAG group. At a similar level of functional damage, POAG subjects presented with more pronounced structural damage than PEXG subjects. The correlation between HRT and visual field parameters was more evident in POAG, compared with PEXG.

Probabilistic safety assessment of the design of a tall buildings under the extreme load

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

Králik, Juraj, E-mail: juraj.kralik@stuba.sk

2016-06-08

The paper describes some experiences from the deterministic and probabilistic analysis of the safety of the tall building structure. There are presented the methods and requirements of Eurocode EN 1990, standard ISO 2394 and JCSS. The uncertainties of the model and resistance of the structures are considered using the simulation methods. The MONTE CARLO, LHS and RSM probabilistic methods are compared with the deterministic results. On the example of the probability analysis of the safety of the tall buildings is demonstrated the effectiveness of the probability design of structures using Finite Element Methods.

A structural and theoretical study of the alkylammonium nitrates forefather: Liquid methylammonium nitrate

NASA Astrophysics Data System (ADS)

Gontrani, Lorenzo; Caminiti, Ruggero; Salma, Umme; Campetella, Marco

2017-09-01

We present here a structural and vibrational analysis of melted methylammonium nitrate, the simplest compound of the family of alkylammonium nitrates. The static and dynamical features calculated were endorsed by comparing the experimental X-ray data with the theoretical ones. A reliable description cannot be obtained with classical molecular dynamics owing to polarization effects. Contrariwise, the structure factor and the vibrational frequencies obtained from ab initio molecular dynamics trajectories are in very good agreement with the experiment. A careful analysis has provided additional information on the complex hydrogen bonding network that exists in this liquid.

Probabilistic safety assessment of the design of a tall buildings under the extreme load

NASA Astrophysics Data System (ADS)

Králik, Juraj

2016-06-01

The paper describes some experiences from the deterministic and probabilistic analysis of the safety of the tall building structure. There are presented the methods and requirements of Eurocode EN 1990, standard ISO 2394 and JCSS. The uncertainties of the model and resistance of the structures are considered using the simulation methods. The MONTE CARLO, LHS and RSM probabilistic methods are compared with the deterministic results. On the example of the probability analysis of the safety of the tall buildings is demonstrated the effectiveness of the probability design of structures using Finite Element Methods.

Modeling the magnetoelectric effect in laminated composites using Hamilton’s principle

NASA Astrophysics Data System (ADS)

Zhang, Shengyao; Zhang, Ru; Jiang, Jiqing

2018-01-01

Mathematical modeling of the magnetoelectric (ME) effect has been established for some rectangular and disk laminate structures. However, these methods are difficult in other cases, particularly for complex structures. In this work, a new method for the analysis of the ME effect is proposed using a generalized Hamilton’s principle, which is conveniently applicable to various laminate structures. As an example, the performance of the rectangular ME laminated composite is analyzed and the equivalent circuit model for the laminate is obtained directly from the analysis. The experimental data is also obtained to compare with the theoretical calculations and to validate the new method. Compared with Dong’s method, the new method is more accurate and convenient. In particular, the equivalent circuit for the rectangular laminated composite can be obtained more easily by the proposed method as it does not require the complex treatment used in Dong’s method.

Conceptual design and structural analysis for an 8.4-m telescope

NASA Astrophysics Data System (ADS)

Mendoza, Manuel; Farah, Alejandro; Ruiz Schneider, Elfego

2004-09-01

This paper describes the conceptual design of the optics support structures of a telescope with a primary mirror of 8.4 m, the same size as a Large Binocular Telescope (LBT) primary mirror. The design goal is to achieve a structure for supporting the primary and secondary mirrors and keeping them joined as rigid as possible. With this purpose an optimization with several models was done. This iterative design process includes: specifications development, concepts generation and evaluation. Process included Finite Element Analysis (FEA) as well as other analytical calculations. Quality Function Deployment (QFD) matrix was used to obtain telescope tube and spider specifications. Eight spiders and eleven tubes geometric concepts were proposed. They were compared in decision matrixes using performance indicators and parameters. Tubes and spiders went under an iterative optimization process. The best tubes and spiders concepts were assembled together. All assemblies were compared and ranked according to their performance.

Diffusion Tensor Tractography Reveals Disrupted Structural Connectivity during Brain Aging

NASA Astrophysics Data System (ADS)

Lin, Lan; Tian, Miao; Wang, Qi; Wu, Shuicai

2017-10-01

Brain aging is one of the most crucial biological processes that entail many physical, biological, chemical, and psychological changes, and also a major risk factor for most common neurodegenerative diseases. To improve the quality of life for the elderly, it is important to understand how the brain is changed during the normal aging process. We compared diffusion tensor imaging (DTI)-based brain networks in a cohort of 75 healthy old subjects by using graph theory metrics to describe the anatomical networks and connectivity patterns, and network-based statistic (NBS) analysis was used to identify pairs of regions with altered structural connectivity. The NBS analysis revealed a significant network comprising nine distinct fiber bundles linking 10 different brain regions showed altered white matter structures in young-old group compare with middle-aged group (p < .05, family-wise error-corrected). Our results might guide future studies and help to gain a better understanding of brain aging.

Structural Connectivity Changes Underlying Altered Working Memory Networks in Mild Cognitive Impairment: A Three-Way Image Fusion Analysis.

PubMed

Teipel, Stefan; Ehlers, Inga; Erbe, Anna; Holzmann, Carsten; Lau, Esther; Hauenstein, Karlheinz; Berger, Christoph

2015-01-01

Working memory impairment is among the earliest signs of cognitive decline in Alzheimer's disease (AD) and mild cognitive impairment (MCI). We aimed to study the functional and structural substrate of working memory impairment in early AD dementia and MCI. We studied a group of 12 MCI and AD subjects compared to 12 age- and gender-matched healthy elderly controls using diffusion tensor imaging (DTI), and functional magnetic resonance imaging (fMRI) during a 2-back versus 1-back letter recognition task. We performed a three-way image fusion analysis with joint independent component analysis of cortical activation during working memory, and DTI derived measures of fractional anisotropy (FA) and the mode of anisotropy. We found significant hypoactivation in posterior brain areas and relative hyperactivation in anterior brain areas during working memory in AD/MCI subjects compared to controls. Corresponding independent components from DTI data revealed reduced FA and reduced mode of anisotropy in intracortical projecting fiber tracts with posterior predominance and increased FA and increased mode along the corticospinal tract in AD/MCI compared to controls. Our findings suggest that impairments of structural fiber tract integrity accompany breakdown of posterior and relatively preserved anterior cortical activation during working memory performance in MCI/AD subjects. Copyright © 2014 by the American Society of Neuroimaging.

Structure and Dynamics of the Quasi-Biennial Oscillation in MERRA-2.

PubMed

Coy, Lawrence; Wargan, Krzysztof; Molod, Andrea M; McCarty, William R; Pawson, Steven

2016-07-01

The structure, dynamics, and ozone signal of the Quasi-Biennial Oscillation produced by the 35-year NASA MERRA-2 (Modern-Era Retrospective Analysis for Research and Applications) reanalysis are examined based on monthly mean output. Along with the analysis of the QBO in assimilation winds and ozone, the QBO forcings created by assimilated observations, dynamics, parameterized gravity wave drag, and ozone chemistry parameterization are examined and compared with the original MERRA system. Results show that the MERRA-2 reanalysis produces a realistic QBO in the zonal winds, mean meridional circulation, and ozone over the 1980-2015 time period. In particular, the MERRA-2 zonal winds show improved representation of the QBO 50 hPa westerly phase amplitude at Singapore when compared to MERRA. The use of limb ozone observations creates improved vertical structure and realistic downward propagation of the ozone QBO signal during times when the MLS ozone limb observations are available (October 2004 to present). The increased equatorial GWD in MERRA-2 has reduced the zonal wind data analysis contribution compared to MERRA so that the QBO mean meridional circulation can be expected to be more physically forced and therefore more physically consistent. This can be important for applications in which MERRA-2 winds are used to drive transport experiments.

Structure and Dynamics of the Quasi-Biennial Oscillation in MERRA-2

PubMed Central

Coy, Lawrence; Wargan, Krzysztof; Molod, Andrea M.; McCarty, William R.; Pawson, Steven

2018-01-01

The structure, dynamics, and ozone signal of the Quasi-Biennial Oscillation produced by the 35-year NASA MERRA-2 (Modern-Era Retrospective Analysis for Research and Applications) reanalysis are examined based on monthly mean output. Along with the analysis of the QBO in assimilation winds and ozone, the QBO forcings created by assimilated observations, dynamics, parameterized gravity wave drag, and ozone chemistry parameterization are examined and compared with the original MERRA system. Results show that the MERRA-2 reanalysis produces a realistic QBO in the zonal winds, mean meridional circulation, and ozone over the 1980–2015 time period. In particular, the MERRA-2 zonal winds show improved representation of the QBO 50 hPa westerly phase amplitude at Singapore when compared to MERRA. The use of limb ozone observations creates improved vertical structure and realistic downward propagation of the ozone QBO signal during times when the MLS ozone limb observations are available (October 2004 to present). The increased equatorial GWD in MERRA-2 has reduced the zonal wind data analysis contribution compared to MERRA so that the QBO mean meridional circulation can be expected to be more physically forced and therefore more physically consistent. This can be important for applications in which MERRA-2 winds are used to drive transport experiments. PMID:29551854

CENTRIFUGAL VIBRATION TEST OF RC PILE FOUNDATION

NASA Astrophysics Data System (ADS)

Higuchi, Shunichi; Tsutsumiuchi, Takahiro; Otsuka, Rinna; Ito, Koji; Ejiri, Joji

It is necessary that nonlinear responses of structures are clarified by soil-structure interaction analysis for the purpose of evaluating the seismic performances of underground structure or foundation structure. In this research, centrifuge shake table tests of reinforced concrete pile foundation installed in the liquefied ground were conducted. Then, finite element analyses for the tests were conducted to confirm an applicability of the analytical method by comparing the experimental results and analytical results.

Converging evidence for abnormalities of the prefrontal cortex and evaluation of midsagittal structures in pediatric PTSD: an MRI study

PubMed Central

Carrion, Victor G.; Weems, Carl F.; Watson, Christa; Eliez, Stephan; Menon, Vinod; Reiss, Allan L.

2009-01-01

Objective Volumetric imaging research has shown abnormal brain morphology in posttraumatic stress disorder (PTSD) when compared to controls. We present results on a study of brain morphology in the prefrontal cortex (PFC) and midline structures, via indices of gray matter volume and density, in pediatric PTSD. We hypothesized that both methods would demonstrate aberrant morphology in the PFC. Further, we hypothesized aberrant brainstem anatomy and reduced corpus collosum volume in children with PTSD. Methods Twenty-four children (aged 7-14) with history of interpersonal trauma and 24 age, and gender matched controls underwent structural magnetic resonance imaging. Images of the PFC and midline brain structures were first analyzed using volumetric image analysis. The PFC data were then compared with whole-brain voxel-based techniques using statistical parametric mapping (SPM). Results The PTSD group showed significant increased gray matter volume in the right and left inferior and superior quadrants of the prefrontal cortex and smaller gray matter volume in pons, and posterior vermis areas by volumetric image analysis. The voxel-byvoxel group comparisons demonstrated increased gray matter density mostly localized to ventral PFC as compared to the control group. Conclusions Abnormal frontal lobe morphology, as revealed by separate-complementary image analysis methods, and reduced pons and posterior vermis areas are associated with pediatric PTSD. Voxel-based morphometry may help to corroborate and further localize data obtained by volume of interest methods in PTSD. PMID:19349151

Comparison of Requirements for Composite Structures for Aircraft and Space Applications

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Elliott, Kenny B.; Hampton, Roy W.; Knight, Norman F., Jr.; Aggarwal, Pravin; Engelstad, Stephen P.; Chang, James B.

2010-01-01

In this paper, the aircraft and space vehicle requirements for composite structures are compared. It is a valuable exercise to study composite structural design approaches used in the airframe industry, and to adopt methodology that is applicable for space vehicles. The missions, environments, analysis methods, analysis validation approaches, testing programs, build quantities, inspection, and maintenance procedures used by the airframe industry, in general, are not transferable to spaceflight hardware. Therefore, while the application of composite design approaches from other industries is appealing, many aspects cannot be directly utilized. Nevertheless, experiences and research for composite aircraft structures may be of use in unexpected arenas as space exploration technology develops, and so continued technology exchanges are encouraged.

Study on Web-Based Tool for Regional Agriculture Industry Structure Optimization Using Ajax

NASA Astrophysics Data System (ADS)

Huang, Xiaodong; Zhu, Yeping

According to the research status of regional agriculture industry structure adjustment information system and the current development of information technology, this paper takes web-based regional agriculture industry structure optimization tool as research target. This paper introduces Ajax technology and related application frameworks to build an auxiliary toolkit of decision support system for agricultural policy maker and economy researcher. The toolkit includes a “one page” style component of regional agriculture industry structure optimization which provides agile arguments setting method that enables applying sensitivity analysis and usage of data and comparative advantage analysis result, and a component that can solve the linear programming model and its dual problem by simplex method.

Component mode synthesis and large deflection vibrations of complex structures. [beams and trusses

NASA Technical Reports Server (NTRS)

Mei, C.

1984-01-01

The accuracy of the NASTRAN modal synthesis analysis was assessed by comparing it with full structure NASTRAN and nine other modal synthesis results using a nine-bay truss. A NASTRAN component mode transient response analysis was also performed on the free-free truss structure. A finite element method was developed for nonlinear vibration of beam structures subjected to harmonic excitation. Longitudinal deformation and inertia are both included in the formula. Tables show the finite element free vibration results with and without considering the effects of longitudinal deformation and inertia as well as the frequency ratios for a simply supported and a clamped beam subjected to a uniform harmonic force.

Percolation analyses of observed and simulated galaxy clustering

NASA Astrophysics Data System (ADS)

Bhavsar, S. P.; Barrow, J. D.

1983-11-01

A percolation cluster analysis is performed on equivalent regions of the CFA redshift survey of galaxies and the 4000 body simulations of gravitational clustering made by Aarseth, Gott and Turner (1979). The observed and simulated percolation properties are compared and, unlike correlation and multiplicity function analyses, favour high density (Omega = 1) models with n = - 1 initial data. The present results show that the three-dimensional data are consistent with the degree of filamentary structure present in isothermal models of galaxy formation at the level of percolation analysis. It is also found that the percolation structure of the CFA data is a function of depth. Percolation structure does not appear to be a sensitive probe of intrinsic filamentary structure.

Real-time open-loop frequency response analysis of flight test data

NASA Technical Reports Server (NTRS)

Bosworth, J. T.; West, J. C.

1986-01-01

A technique has been developed to compare the open-loop frequency response of a flight test aircraft real time with linear analysis predictions. The result is direct feedback to the flight control systems engineer on the validity of predictions and adds confidence for proceeding with envelope expansion. Further, gain and phase margins can be tracked for trends in a manner similar to the techniques used by structural dynamics engineers in tracking structural modal damping.

Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin

NASA Astrophysics Data System (ADS)

Durlak, Piotr; Berski, Sławomir; Latajka, Zdzisław

2016-01-01

The molecular structure, conformational preferences, topological and vibrational analysis of allicin has been investigated at two different approaches. Calculations have been carried out on static (DFT and MP2) levels with an assortment of Dunning's basis sets and dynamic CPMD simulations. In this both case within the isolated molecule approximation. The results point out that at least twenty different conformers coexist on the PES as confirmed by the flexible character of this molecule. The topological analysis of ELF showed very similar nature of the Ssbnd S and Ssbnd O bonds. The infrared spectrum has been calculated, and a comparative vibrational analysis has been performed.

Critical Factors Analysis for Offshore Software Development Success by Structural Equation Modeling

NASA Astrophysics Data System (ADS)

Wada, Yoshihisa; Tsuji, Hiroshi

In order to analyze the success/failure factors in offshore software development service by the structural equation modeling, this paper proposes to follow two approaches together; domain knowledge based heuristic analysis and factor analysis based rational analysis. The former works for generating and verifying of hypothesis to find factors and causalities. The latter works for verifying factors introduced by theory to build the model without heuristics. Following the proposed combined approaches for the responses from skilled project managers of the questionnaire, this paper found that the vendor property has high causality for the success compared to software property and project property.

Rotational Spectrum of 1,1-Difluoroethane: Internal Rotation Analysis and Structure

NASA Astrophysics Data System (ADS)

Villamanan, R. M.; Chen, W. D.; Wlodarczak, G.; Demaison, J.; Lesarri, A. G.; Lopez, J. C.; Alonso, J. L.

1995-05-01

The rotational spectrum of CH3CHF2 in its ground state was measured up to 653 GHz. Accurate rotational and centrifugal distortion constants were determined. The internal rotation splittings were analyzed using the internal axis method. An ab initio structure has been calculated and a near-equilibrium structure has been estimated using offsets derived empirically. This structure was compared to an experimental r0 structure. The four lowest excited states (including the methyl torsion) have also been assigned.

A new Python library to analyse skeleton images confirms malaria parasite remodelling of the red blood cell membrane skeleton.

PubMed

Nunez-Iglesias, Juan; Blanch, Adam J; Looker, Oliver; Dixon, Matthew W; Tilley, Leann

2018-01-01

We present Skan (Skeleton analysis), a Python library for the analysis of the skeleton structures of objects. It was inspired by the "analyse skeletons" plugin for the Fiji image analysis software, but its extensive Application Programming Interface (API) allows users to examine and manipulate any intermediate data structures produced during the analysis. Further, its use of common Python data structures such as SciPy sparse matrices and pandas data frames opens the results to analysis within the extensive ecosystem of scientific libraries available in Python. We demonstrate the validity of Skan's measurements by comparing its output to the established Analyze Skeletons Fiji plugin, and, with a new scanning electron microscopy (SEM)-based method, we confirm that the malaria parasite Plasmodium falciparum remodels the host red blood cell cytoskeleton, increasing the average distance between spectrin-actin junctions.

A new Python library to analyse skeleton images confirms malaria parasite remodelling of the red blood cell membrane skeleton

PubMed Central

Looker, Oliver; Dixon, Matthew W.; Tilley, Leann

2018-01-01

We present Skan (Skeleton analysis), a Python library for the analysis of the skeleton structures of objects. It was inspired by the “analyse skeletons” plugin for the Fiji image analysis software, but its extensive Application Programming Interface (API) allows users to examine and manipulate any intermediate data structures produced during the analysis. Further, its use of common Python data structures such as SciPy sparse matrices and pandas data frames opens the results to analysis within the extensive ecosystem of scientific libraries available in Python. We demonstrate the validity of Skan’s measurements by comparing its output to the established Analyze Skeletons Fiji plugin, and, with a new scanning electron microscopy (SEM)-based method, we confirm that the malaria parasite Plasmodium falciparum remodels the host red blood cell cytoskeleton, increasing the average distance between spectrin-actin junctions. PMID:29472997

Impact of variational assimilation using multivariate background error covariances on the simulation of monsoon depressions over India

NASA Astrophysics Data System (ADS)

Dhanya, M.; Chandrasekar, A.

2016-02-01

The background error covariance structure influences a variational data assimilation system immensely. The simulation of a weather phenomenon like monsoon depression can hence be influenced by the background correlation information used in the analysis formulation. The Weather Research and Forecasting Model Data assimilation (WRFDA) system includes an option for formulating multivariate background correlations for its three-dimensional variational (3DVar) system (cv6 option). The impact of using such a formulation in the simulation of three monsoon depressions over India is investigated in this study. Analysis and forecast fields generated using this option are compared with those obtained using the default formulation for regional background error correlations (cv5) in WRFDA and with a base run without any assimilation. The model rainfall forecasts are compared with rainfall observations from the Tropical Rainfall Measurement Mission (TRMM) and the other model forecast fields are compared with a high-resolution analysis as well as with European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-Interim reanalysis. The results of the study indicate that inclusion of additional correlation information in background error statistics has a moderate impact on the vertical profiles of relative humidity, moisture convergence, horizontal divergence and the temperature structure at the depression centre at the analysis time of the cv5/cv6 sensitivity experiments. Moderate improvements are seen in two of the three depressions investigated in this study. An improved thermodynamic and moisture structure at the initial time is expected to provide for improved rainfall simulation. The results of the study indicate that the skill scores of accumulated rainfall are somewhat better for the cv6 option as compared to the cv5 option for at least two of the three depression cases studied, especially at the higher threshold levels. Considering the importance of utilising improved flow-dependent correlation structures for efficient data assimilation, the need for more studies on the impact of background error covariances is obvious.

Analysis of copy number variations among cattle breeds

USDA-ARS?s Scientific Manuscript database

Genomic structural variation is an important and abundant source of genetic and phenotypic variation. Here we describe the first systematic and genome-wide analysis of copy number variations (CNVs) in the modern domesticated cattle using array comparative genomic hybridization (array CGH) and quanti...

Methods in the study of discrete upper hybrid waves

NASA Astrophysics Data System (ADS)

Yoon, P. H.; Ye, S.; Labelle, J.; Weatherwax, A. T.; Menietti, J. D.

2007-11-01

Naturally occurring plasma waves characterized by fine frequency structure or discrete spectrum, detected by satellite, rocket-borne instruments, or ground-based receivers, can be interpreted as eigenmodes excited and trapped in field-aligned density structures. This paper overviews various theoretical methods to study such phenomena for a one-dimensional (1-D) density structure. Among the various methods are parabolic approximation, eikonal matching, eigenfunction matching, and full numerical solution based upon shooting method. Various approaches are compared against the full numerical solution. Among the analytic methods it is found that the eigenfunction matching technique best approximates the actual numerical solution. The analysis is further extended to 2-D geometry. A detailed comparative analysis between the eigenfunction matching and fully numerical methods is carried out for the 2-D case. Although in general the two methods compare favorably, significant differences are also found such that for application to actual observations it is prudent to employ the fully numerical method. Application of the methods developed in the present paper to actual geophysical problems will be given in a companion paper.

Radius Ratio Rule Rescue

ERIC Educational Resources Information Center

Michmerhuizen, Anna; Rose, Karine; Annankra, Wentiirim; Vander Griend, Douglas A.

2017-01-01

Making optimal pedagogical and predictive use of the radius ratio rule to distinguish between solid state structures that feature tetrahedral, octahedral and cubic holes requires several updated insights. A comparative analysis of the Born-Landé equation for lattice energy is developed to show that the rock salt structure is a suitable choice for…

Genetic structure of populations and differentiation in forest trees

Treesearch

Raymond P. Guries; F. Thomas Ledig

1981-01-01

Electrophoretic techniques permit population biologists to analyze genetic structure of natural populations by using large numbers of allozyme loci. Several methods of analysis have been applied to allozyme data, including chi-square contingency tests, F-statistics, and genetic distance. This paper compares such statistics for pitch pine (Pinus rigida...

The Alignment of Technology and Structure through Roles and Networks.

ERIC Educational Resources Information Center

Barley, Stephen R.

1990-01-01

Building on Nagel's theory of social structure, this paper argues that the microsocial dynamics occasioned by new technologies systematically reverberate up levels of analysis. This theory is illustrated by ethnographic and sociometric data drawn from a study comparing usage of traditional and computerized imaging devices in two radiology…

Structural characterization and comparative modeling of PD-Ls 1-3, type 1 ribosome-inactivating proteins from summer leaves of Phytolacca dioica L.

PubMed

Di Maro, Antimo; Chambery, Angela; Carafa, Vincenzo; Costantini, Susan; Colonna, Giovanni; Parente, Augusto

2009-03-01

The amino acid sequence and glycan structure of PD-L1, PD-L2 and PD-L3, type 1 ribosome-inactivating proteins isolated from Phytolacca dioica L. leaves, were determined using a combined approach based on peptide mapping, Edman degradation and ESI-Q-TOF MS in precursor ion discovery mode. The comparative analysis of the 261 amino acid residue sequences showed that PD-L1 and PD-L2 have identical primary structure, as it is the case of PD-L3 and PD-L4. Furthermore, the primary structure of PD-Ls 1-2 and PD-Ls 3-4 have 81.6% identity (85.1% similarity). The ESI-Q-TOF MS analysis confirmed that PD-Ls 1-3 were glycosylated at different sites. In particular, PD-L1 contained three glycidic chains with the well known paucidomannosidic structure (Man)(3) (GlcNAc)(2) (Fuc)(1) (Xyl)(1) linked to Asn10, Asn43 and Asn255. PD-L2 was glycosylated at Asn10 and Asn43, and PD-L3 was glycosylated only at Asn10. PD-L4 was confirmed to be not glycosylated. Despite an overall high structural similarity, the comparative modeling of PD-L1, PD-L2, PD-L3 and PD-L4 has shown potential influences of the glycidic chains on their adenine polynucleotide glycosylase activity on different substrates.

A Systematic Analysis of the Structures of Heterologously Expressed Proteins and Those from Their Native Hosts in the RCSB PDB Archive.

PubMed

Zhou, Ren-Bin; Lu, Hui-Meng; Liu, Jie; Shi, Jian-Yu; Zhu, Jing; Lu, Qin-Qin; Yin, Da-Chuan

2016-01-01

Recombinant expression of proteins has become an indispensable tool in modern day research. The large yields of recombinantly expressed proteins accelerate the structural and functional characterization of proteins. Nevertheless, there are literature reported that the recombinant proteins show some differences in structure and function as compared with the native ones. Now there have been more than 100,000 structures (from both recombinant and native sources) publicly available in the Protein Data Bank (PDB) archive, which makes it possible to investigate if there exist any proteins in the RCSB PDB archive that have identical sequence but have some difference in structures. In this paper, we present the results of a systematic comparative study of the 3D structures of identical naturally purified versus recombinantly expressed proteins. The structural data and sequence information of the proteins were mined from the RCSB PDB archive. The combinatorial extension (CE), FATCAT-flexible and TM-Align methods were employed to align the protein structures. The root-mean-square distance (RMSD), TM-score, P-value, Z-score, secondary structural elements and hydrogen bonds were used to assess the structure similarity. A thorough analysis of the PDB archive generated five-hundred-seventeen pairs of native and recombinant proteins that have identical sequence. There were no pairs of proteins that had the same sequence and significantly different structural fold, which support the hypothesis that expression in a heterologous host usually could fold correctly into their native forms.

A Systematic Analysis of the Structures of Heterologously Expressed Proteins and Those from Their Native Hosts in the RCSB PDB Archive

PubMed Central

Zhou, Ren-Bin; Lu, Hui-Meng; Liu, Jie; Shi, Jian-Yu; Zhu, Jing; Lu, Qin-Qin; Yin, Da-Chuan

2016-01-01

Recombinant expression of proteins has become an indispensable tool in modern day research. The large yields of recombinantly expressed proteins accelerate the structural and functional characterization of proteins. Nevertheless, there are literature reported that the recombinant proteins show some differences in structure and function as compared with the native ones. Now there have been more than 100,000 structures (from both recombinant and native sources) publicly available in the Protein Data Bank (PDB) archive, which makes it possible to investigate if there exist any proteins in the RCSB PDB archive that have identical sequence but have some difference in structures. In this paper, we present the results of a systematic comparative study of the 3D structures of identical naturally purified versus recombinantly expressed proteins. The structural data and sequence information of the proteins were mined from the RCSB PDB archive. The combinatorial extension (CE), FATCAT-flexible and TM-Align methods were employed to align the protein structures. The root-mean-square distance (RMSD), TM-score, P-value, Z-score, secondary structural elements and hydrogen bonds were used to assess the structure similarity. A thorough analysis of the PDB archive generated five-hundred-seventeen pairs of native and recombinant proteins that have identical sequence. There were no pairs of proteins that had the same sequence and significantly different structural fold, which support the hypothesis that expression in a heterologous host usually could fold correctly into their native forms. PMID:27517583

Analysis of SMA Hybrid Composite Structures in MSC.Nastran and ABAQUS

NASA Technical Reports Server (NTRS)

Turner, Travis L.; Patel, Hemant D.

2005-01-01

A thermoelastic constitutive model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures was recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilever beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilever beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

Comparative structural analysis of human DEAD-box RNA helicases.

PubMed

Schütz, Patrick; Karlberg, Tobias; van den Berg, Susanne; Collins, Ruairi; Lehtiö, Lari; Högbom, Martin; Holmberg-Schiavone, Lovisa; Tempel, Wolfram; Park, Hee-Won; Hammarström, Martin; Moche, Martin; Thorsell, Ann-Gerd; Schüler, Herwig

2010-09-30

DEAD-box RNA helicases play various, often critical, roles in all processes where RNAs are involved. Members of this family of proteins are linked to human disease, including cancer and viral infections. DEAD-box proteins contain two conserved domains that both contribute to RNA and ATP binding. Despite recent advances the molecular details of how these enzymes convert chemical energy into RNA remodeling is unknown. We present crystal structures of the isolated DEAD-domains of human DDX2A/eIF4A1, DDX2B/eIF4A2, DDX5, DDX10/DBP4, DDX18/myc-regulated DEAD-box protein, DDX20, DDX47, DDX52/ROK1, and DDX53/CAGE, and of the helicase domains of DDX25 and DDX41. Together with prior knowledge this enables a family-wide comparative structural analysis. We propose a general mechanism for opening of the RNA binding site. This analysis also provides insights into the diversity of DExD/H- proteins, with implications for understanding the functions of individual family members.

Comparative Structural Analysis of Human DEAD-Box RNA Helicases

PubMed Central

Schütz, Patrick; Karlberg, Tobias; van den Berg, Susanne; Collins, Ruairi; Lehtiö, Lari; Högbom, Martin; Holmberg-Schiavone, Lovisa; Tempel, Wolfram; Park, Hee-Won; Hammarström, Martin; Moche, Martin; Thorsell, Ann-Gerd; Schüler, Herwig

2010-01-01

DEAD-box RNA helicases play various, often critical, roles in all processes where RNAs are involved. Members of this family of proteins are linked to human disease, including cancer and viral infections. DEAD-box proteins contain two conserved domains that both contribute to RNA and ATP binding. Despite recent advances the molecular details of how these enzymes convert chemical energy into RNA remodeling is unknown. We present crystal structures of the isolated DEAD-domains of human DDX2A/eIF4A1, DDX2B/eIF4A2, DDX5, DDX10/DBP4, DDX18/myc-regulated DEAD-box protein, DDX20, DDX47, DDX52/ROK1, and DDX53/CAGE, and of the helicase domains of DDX25 and DDX41. Together with prior knowledge this enables a family-wide comparative structural analysis. We propose a general mechanism for opening of the RNA binding site. This analysis also provides insights into the diversity of DExD/H- proteins, with implications for understanding the functions of individual family members. PMID:20941364

Analysis of SMA Hybrid Composite Structures using Commercial Codes

NASA Technical Reports Server (NTRS)

Turner, Travis L.; Patel, Hemant D.

2004-01-01

A thermomechanical model for shape memory alloy (SMA) actuators and SMA hybrid composite (SMAHC) structures has been recently implemented in the commercial finite element codes MSC.Nastran and ABAQUS. The model may be easily implemented in any code that has the capability for analysis of laminated composite structures with temperature dependent material properties. The model is also relatively easy to use and requires input of only fundamental engineering properties. A brief description of the model is presented, followed by discussion of implementation and usage in the commercial codes. Results are presented from static and dynamic analysis of SMAHC beams of two types; a beam clamped at each end and a cantilevered beam. Nonlinear static (post-buckling) and random response analyses are demonstrated for the first specimen. Static deflection (shape) control is demonstrated for the cantilevered beam. Approaches for modeling SMAHC material systems with embedded SMA in ribbon and small round wire product forms are demonstrated and compared. The results from the commercial codes are compared to those from a research code as validation of the commercial implementations; excellent correlation is achieved in all cases.

Structural Analysis of Biodiversity

PubMed Central

Sirovich, Lawrence; Stoeckle, Mark Y.; Zhang, Yu

2010-01-01

Large, recently-available genomic databases cover a wide range of life forms, suggesting opportunity for insights into genetic structure of biodiversity. In this study we refine our recently-described technique using indicator vectors to analyze and visualize nucleotide sequences. The indicator vector approach generates correlation matrices, dubbed Klee diagrams, which represent a novel way of assembling and viewing large genomic datasets. To explore its potential utility, here we apply the improved algorithm to a collection of almost 17000 DNA barcode sequences covering 12 widely-separated animal taxa, demonstrating that indicator vectors for classification gave correct assignment in all 11000 test cases. Indicator vector analysis revealed discontinuities corresponding to species- and higher-level taxonomic divisions, suggesting an efficient approach to classification of organisms from poorly-studied groups. As compared to standard distance metrics, indicator vectors preserve diagnostic character probabilities, enable automated classification of test sequences, and generate high-information density single-page displays. These results support application of indicator vectors for comparative analysis of large nucleotide data sets and raise prospect of gaining insight into broad-scale patterns in the genetic structure of biodiversity. PMID:20195371

Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

PubMed

Ma, Xiao H; Jia, Jia; Zhu, Feng; Xue, Ying; Li, Ze R; Chen, Yu Z

2009-05-01

Machine learning methods have been explored as ligand-based virtual screening tools for facilitating drug lead discovery. These methods predict compounds of specific pharmacodynamic, pharmacokinetic or toxicological properties based on their structure-derived structural and physicochemical properties. Increasing attention has been directed at these methods because of their capability in predicting compounds of diverse structures and complex structure-activity relationships without requiring the knowledge of target 3D structure. This article reviews current progresses in using machine learning methods for virtual screening of pharmacodynamically active compounds from large compound libraries, and analyzes and compares the reported performances of machine learning tools with those of structure-based and other ligand-based (such as pharmacophore and clustering) virtual screening methods. The feasibility to improve the performance of machine learning methods in screening large libraries is discussed.

Analysis of composite plates by using mechanics of structure genome and comparison with ANSYS

NASA Astrophysics Data System (ADS)

Zhao, Banghua

Motivated by a recently discovered concept, Structure Genome (SG) which is defined as the smallest mathematical building block of a structure, a new approach named Mechanics of Structure Genome (MSG) to model and analyze composite plates is introduced. MSG is implemented in a general-purpose code named SwiftComp(TM), which provides the constitutive models needed in structural analysis by homogenization and pointwise local fields by dehomogenization. To improve the user friendliness of SwiftComp(TM), a simple graphic user interface (GUI) based on ANSYS Mechanical APDL platform, called ANSYS-SwiftComp GUI is developed, which provides a convenient way to create some common SG models or arbitrary customized SG models in ANSYS and invoke SwiftComp(TM) to perform homogenization and dehomogenization. The global structural analysis can also be handled in ANSYS after homogenization, which could predict the global behavior and provide needed inputs for dehomogenization. To demonstrate the accuracy and efficiency of the MSG approach, several numerical cases are studied and compared using both MSG and ANSYS. In the ANSYS approach, 3D solid element models (ANSYS 3D approach) are used as reference models and the 2D shell element models created by ANSYS Composite PrepPost (ACP approach) are compared with the MSG approach. The results of the MSG approach agree well with the ANSYS 3D approach while being as efficient as the ACP approach. Therefore, the MSG approach provides an efficient and accurate new way to model composite plates.

Evaluation of structural connectivity changes in betel-quid chewers using generalized q-sampling MRI.

PubMed

Weng, Jun-Cheng; Kao, Te-Wei; Huang, Guo-Joe; Tyan, Yeu-Sheng; Tseng, Hsien-Chun; Ho, Ming-Chou

2017-07-01

Betel quid (BQ) is a common addictive substance in many Asian countries. However, few studies have focused on the influences of BQ on the brain. It remains unclear how BQ can affect structural brain abnormalities in BQ chewers. We aimed to use generalized q-sampling imaging (GQI) to evaluate the impact of the neurological structure of white matter caused by BQ. The study population comprised 16 BQ chewers, 15 tobacco and alcohol controls, and 17 healthy controls. We used GQI with voxel-based statistical analysis (VBA) to evaluate structural brain and connectivity abnormalities in the BQ chewers compared to the tobacco and alcohol controls and the healthy controls. Graph theoretical analysis (GTA) and network-based statistical (NBS) analysis were also performed to identify the structural network differences among the three groups. Using GQI, we found increases in diffusion anisotropy in the right anterior cingulate cortex (ACC), the midbrain, the bilateral angular gyrus, the right superior temporal gyrus (rSTG), the bilateral superior occipital gyrus, the left middle occipital gyrus, the bilateral superior and inferior parietal lobule, and the bilateral postcentral and precentral gyrus in the BQ chewers when compared to the tobacco and alcohol controls and the healthy controls. In GTA and NBS analyses, we found more connections in connectivity among the BQ chewers, particularly in the bilateral anterior cingulum. Our results provided further evidence indicating that BQ chewing may lead to brain structure and connectivity changes in BQ chewers.

Functional and structural analysis of a highly-expressed Yersinia pestis small RNA following infection of cultured macrophages

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

Li, Nan; Hennelly, Scott P.; Stubben, Chris J.

Non-coding small RNAs (sRNAs) are found in practically all bacterial genomes and play important roles in regulating gene expression to impact bacterial metabolism, growth, and virulence. We performed transcriptomics analysis to identify sRNAs that are differentially expressed in Yersinia pestis that invaded the human macrophage cell line THP-1, compared to pathogens that remained extracellular in the presence of host. Using ultra high-throughput sequencing, we identified 37 novel and 143 previously known sRNAs in Y. pestis. In particular, the sRNA Ysr170 was highly expressed in intracellular Yersinia and exhibited a log2 fold change ~3.6 higher levels compared to extracellular bacteria. Wemore » found that knock-down of Ysr170 expression attenuated infection efficiency in cell culture and growth rate in response to different stressors. In addition, we applied selective 2’-hydroxyl acylation analyzed by primer extension (SHAPE) analysis to determine the secondary structure of Ysr170 and observed structural changes resulting from interactions with the aminoglycoside antibiotic gentamycin and the RNA chaperone Hfq. Interestingly, gentamicin stabilized helix 4 of Ysr170, which structurally resembles the native gentamicin 16S ribosomal binding site. Lastly, we modeled the tertiary structure of Ysr170 binding to gentamycin using RNA motif modeling. Integration of these experimental and structural methods can provide further insight into the design of small molecules that can inhibit function of sRNAs required for pathogen virulence.« less

Functional and structural analysis of a highly-expressed Yersinia pestis small RNA following infection of cultured macrophages

DOE PAGES

Li, Nan; Hennelly, Scott P.; Stubben, Chris J.; ...

2016-12-28

Non-coding small RNAs (sRNAs) are found in practically all bacterial genomes and play important roles in regulating gene expression to impact bacterial metabolism, growth, and virulence. We performed transcriptomics analysis to identify sRNAs that are differentially expressed in Yersinia pestis that invaded the human macrophage cell line THP-1, compared to pathogens that remained extracellular in the presence of host. Using ultra high-throughput sequencing, we identified 37 novel and 143 previously known sRNAs in Y. pestis. In particular, the sRNA Ysr170 was highly expressed in intracellular Yersinia and exhibited a log2 fold change ~3.6 higher levels compared to extracellular bacteria. Wemore » found that knock-down of Ysr170 expression attenuated infection efficiency in cell culture and growth rate in response to different stressors. In addition, we applied selective 2’-hydroxyl acylation analyzed by primer extension (SHAPE) analysis to determine the secondary structure of Ysr170 and observed structural changes resulting from interactions with the aminoglycoside antibiotic gentamycin and the RNA chaperone Hfq. Interestingly, gentamicin stabilized helix 4 of Ysr170, which structurally resembles the native gentamicin 16S ribosomal binding site. Lastly, we modeled the tertiary structure of Ysr170 binding to gentamycin using RNA motif modeling. Integration of these experimental and structural methods can provide further insight into the design of small molecules that can inhibit function of sRNAs required for pathogen virulence.« less

Ole e 13 is the unique food allergen in olive: Structure-functional, substrates docking, and molecular allergenicity comparative analysis.

PubMed

Jimenez-Lopez, J C; Robles-Bolivar, P; Lopez-Valverde, F J; Lima-Cabello, E; Kotchoni, S O; Alché, J D

2016-05-01

Thaumatin-like proteins (TLPs) are enzymes with important functions in pathogens defense and in the response to biotic and abiotic stresses. Last identified olive allergen (Ole e 13) is a TLP, which may also importantly contribute to food allergy and cross-allergenicity to pollen allergen proteins. The goals of this study are the characterization of the structural-functionality of Ole e 13 with a focus in its catalytic mechanism, and its molecular allergenicity by extensive analysis using different molecular computer-aided approaches covering a) functional-regulatory motifs, b) comparative study of linear sequence, 2-D and 3D structural homology modeling, c) molecular docking with two different β-D-glucans, d) conservational and evolutionary analysis, e) catalytic mechanism modeling, and f) IgE-binding, B- and T-cell epitopes identification and comparison to other allergenic TLPs. Sequence comparison, structure-based features, and phylogenetic analysis identified Ole e 13 as a thaumatin-like protein. 3D structural characterization revealed a conserved overall folding among plants TLPs, with mayor differences in the acidic (catalytic) cleft. Molecular docking analysis using two β-(1,3)-glucans allowed to identify fundamental residues involved in the endo-1,3-β-glucanase activity, and defining E84 as one of the conserved residues of the TLPs responsible of the nucleophilic attack to initiate the enzymatic reaction and D107 as proton donor, thus proposing a catalytic mechanism for Ole e 13. Identification of IgE-binding, B- and T-cell epitopes may help designing strategies to improve diagnosis and immunotherapy to food allergy and cross-allergenic pollen TLPs. Copyright © 2016 Elsevier Inc. All rights reserved.

Christopher Chang | NREL

Science.gov Websites

transition metal systems, macromolecular dynamics, comparative chemical bonding analysis, electron transfer . Research Interests Dynamics and control on discrete structures, including excited-state transition metal

Current Progress of a Finite Element Computational Fluid Dynamics Prediction of Flutter for the AeroStructures Test Wing

NASA Technical Reports Server (NTRS)

Arena, Andrew S., Jr.

2002-01-01

This progress report focuses on the use of the STructural Analysis RoutineS suite program, SOLIDS, input for the AeroStructures Test Wing. The AeroStructures Test Wing project as a whole is described. The use of the SOLIDS code to find the mode shapes of a structure is discussed. The frequencies, and the structural dynamics to which they relate are examined. The results of the CFD predictions are compared to experimental data from a Ground Vibration Test.

A comparative study of theoretical graph models for characterizing structural networks of human brain.

PubMed

Li, Xiaojin; Hu, Xintao; Jin, Changfeng; Han, Junwei; Liu, Tianming; Guo, Lei; Hao, Wei; Li, Lingjiang

2013-01-01

Previous studies have investigated both structural and functional brain networks via graph-theoretical methods. However, there is an important issue that has not been adequately discussed before: what is the optimal theoretical graph model for describing the structural networks of human brain? In this paper, we perform a comparative study to address this problem. Firstly, large-scale cortical regions of interest (ROIs) are localized by recently developed and validated brain reference system named Dense Individualized Common Connectivity-based Cortical Landmarks (DICCCOL) to address the limitations in the identification of the brain network ROIs in previous studies. Then, we construct structural brain networks based on diffusion tensor imaging (DTI) data. Afterwards, the global and local graph properties of the constructed structural brain networks are measured using the state-of-the-art graph analysis algorithms and tools and are further compared with seven popular theoretical graph models. In addition, we compare the topological properties between two graph models, namely, stickiness-index-based model (STICKY) and scale-free gene duplication model (SF-GD), that have higher similarity with the real structural brain networks in terms of global and local graph properties. Our experimental results suggest that among the seven theoretical graph models compared in this study, STICKY and SF-GD models have better performances in characterizing the structural human brain network.

Bond slip detection of concrete-encased composite structure using shear wave based active sensing approach

NASA Astrophysics Data System (ADS)

Zeng, Lei; Parvasi, Seyed Mohammad; Kong, Qingzhao; Huo, Linsheng; Lim, Ing; Li, Mo; Song, Gangbing

2015-12-01

Concrete-encased composite structure exhibits improved strength, ductility and fire resistance compared to traditional reinforced concrete, by incorporating the advantages of both steel and concrete materials. A major drawback of this type of structure is the bond slip introduced between steel and concrete, which directly reduces the load capacity of the structure. In this paper, an active sensing approach using shear waves to provide monitoring and early warning of the development of bond slip in the concrete-encased composite structure is proposed. A specimen of concrete-encased composite structure was investigated. In this active sensing approach, shear mode smart aggregates (SAs) embedded in the concrete act as actuators and generate desired shear stress waves. Distributed piezoceramic transducers installed in the cavities of steel plates act as sensors and detect the wave response from shear mode SAs. Bond slip acts as a form of stress relief and attenuates the wave propagation energy. Experimental results from the time domain analysis clearly indicate that the amplitudes of received signal by lead zirconate titanate sensors decreased when bond slip occurred. In addition, a wavelet packet-based analysis was developed to compute the received signal energy values, which can be used to determine the initiation and development of bond slip in concrete-encased composite structure. In order to establish the validity of the proposed method, a 3D finite element analysis of the concrete-steel bond model is further performed with the aid of the commercial finite element package, Abaqus, and the numerical results are compared with the results obtained in experimental study.

Longitudinal structure function from logarithmic slopes of F2 at low x

NASA Astrophysics Data System (ADS)

Boroun, G. R.

2018-01-01

Using Laplace transform techniques, I calculate the longitudinal structure function FL(x ,Q2) from the scaling violations of the proton structure function F2(x ,Q2) and make a critical study of this relationship between the structure functions at leading order (LO) up to next-to-next-to leading order (NNLO) analysis at small x . Furthermore, I consider heavy quark contributions to the relation between the structure functions, which leads to compact formula for Nf=3 +Heavy . The nonlinear corrections to the longitudinal structure function at LO up to NNLO analysis are shown in the Nf=4 (light quark flavor) based on the nonlinear corrections at R =2 and R =4 GeV-1 . The results are compared with experimental data of the longitudinal proton structure function FL in the range of 6.5 ≤Q2≤800 GeV2 .

Reliability Analysis of Sealing Structure of Electromechanical System Based on Kriging Model

NASA Astrophysics Data System (ADS)

Zhang, F.; Wang, Y. M.; Chen, R. W.; Deng, W. W.; Gao, Y.

2018-05-01

The sealing performance of aircraft electromechanical system has a great influence on flight safety, and the reliability of its typical seal structure is analyzed by researcher. In this paper, we regard reciprocating seal structure as a research object to study structural reliability. Having been based on the finite element numerical simulation method, the contact stress between the rubber sealing ring and the cylinder wall is calculated, and the relationship between the contact stress and the pressure of the hydraulic medium is built, and the friction force on different working conditions are compared. Through the co-simulation, the adaptive Kriging model obtained by EFF learning mechanism is used to describe the failure probability of the seal ring, so as to evaluate the reliability of the sealing structure. This article proposes a new idea of numerical evaluation for the reliability analysis of sealing structure, and also provides a theoretical basis for the optimal design of sealing structure.

Conserved nucleation sites reinforce the significance of Phi value analysis in protein-folding studies.

PubMed

Gianni, Stefano; Jemth, Per

2014-07-01

The only experimental strategy to address the structure of folding transition states, the so-called Φ value analysis, relies on the synergy between site directed mutagenesis and the measurement of reaction kinetics. Despite its importance, the Φ value analysis has been often criticized and its power to pinpoint structural information has been questioned. In this hypothesis, we demonstrate that comparing the Φ values between proteins not only allows highlighting the robustness of folding pathways but also provides per se a strong validation of the method. © 2014 International Union of Biochemistry and Molecular Biology.

Comprehensive DFT study on molecular structures of Lewisites in support of the Chemical Weapons Convention

NASA Astrophysics Data System (ADS)

Saeidian, Hamid; Sahandi, Morteza

2015-11-01

The structure of all of Lewisite's stereoisomers has been examined by B3LYP/6-311++G(3df,3pd) calculations. The geometry analysis for trans Lewisite L1-1 shows that the calculated bond angles, bond distances and dipole moment have a satisfactory relation compared with experimental values. HOMO-LUMO analysis of Lewisites reveals that L1-2 and L3-7 have the maximum and minimum electrophilicity index, respectively. The calculated chemical shifts were compared with experimental data, showing a very good agreement both for 1H and 13C. The vibrational and Raman frequencies of Lewisites have been precisely assigned and theoretical data were compared with the experimental vibrations. The bonding trends and Mulliken and atomic polar tensor charge distribution in Lewisites can be explained by the Bent's rule and the donor-acceptor interaction, respectively.

Comparative study on predicting Young's modulus of graphene sheets using nano-scale continuum mechanics approach

NASA Astrophysics Data System (ADS)

Rafiee, Roham; Eskandariyun, Amirali

2017-06-01

In this research, nano-scale continuum modeling is employed to predict Young's modulus of graphene sheet. The lattice nano-structure of a graphene sheet is replaced with a discrete space-frame structure simulating carbon-carbon bonds with either beam or spring elements. A comparative study is carried out to check the influence of employed elements on estimated Young's moduli of graphene sheets in both horizontal and vertical directions. A detailed analysis is also conducted to investigate the influence of graphene sheet sizes on its Young's modulus and corresponding aspect ratios that unwelcomed end effects disappear on the results are extracted. At the final stage, defected graphene sheets suffering from vacancy defects are investigated through a stochastic analysis taking into account both number of defects and their locations as random parameters. The reduction level in the Young's moduli of defected graphene sheets compared with non-defected ones is analyzed and reported.

Common and distinct neural correlates of personal and vicarious reward: A quantitative meta-analysis

PubMed Central

Morelli, Sylvia A.; Sacchet, Matthew D.; Zaki, Jamil

2015-01-01

Individuals experience reward not only when directly receiving positive outcomes (e.g., food or money), but also when observing others receive such outcomes. This latter phenomenon, known as vicarious reward, is a perennial topic of interest among psychologists and economists. More recently, neuroscientists have begun exploring the neuroanatomy underlying vicarious reward. Here we present a quantitative whole-brain meta-analysis of this emerging literature. We identified 25 functional neuroimaging studies that included contrasts between vicarious reward and a neutral control, and subjected these contrasts to an activation likelihood estimate (ALE) meta-analysis. This analysis revealed a consistent pattern of activation across studies, spanning structures typically associated with the computation of value (especially ventromedial prefrontal cortex) and mentalizing (including dorsomedial prefrontal cortex and superior temporal sulcus). We further quantitatively compared this activation pattern to activation foci from a previous meta-analysis of personal reward. Conjunction analyses yielded overlapping VMPFC activity in response to personal and vicarious reward. Contrast analyses identified preferential engagement of the nucleus accumbens in response to personal as compared to vicarious reward, and in mentalizing-related structures in response to vicarious as compared to personal reward. These data shed light on the common and unique components of the reward that individuals experience directly and through their social connections. PMID:25554428

Analysis of copy number variations reveals differences among cattle breeds

USDA-ARS?s Scientific Manuscript database

Genomic structural variation is an important and abundant source of genetic and phenotypic variation. Here we describe the first systematic and genome-wide analysis of copy number variations (CNVs) in the modern domesticated cattle using array comparative genomic hybridization (array CGH) and quanti...

[Comparation on Haversian system between human and animal bones by imaging analysis].

PubMed

Lu, Hui-Ling; Zheng, Jing; Yao, Ya-Nan; Chen, Sen; Wang, Hui-Pin; Chen, Li-Xian; Guo, Jing-Yuan

2006-04-01

To explore the differences in Haversian system between human and animal bones through imaging analysis and morphology description. Thirty-five slices grinding from human being as well as dog, pig, cow and sheep bones were observed to compare their structure, then were analysed with the researchful microscope. Plexiform bone or oeston band was not found in human bones; There were significant differences in the shape, size, location, density of Haversian system, between human and animal bones. The amount of Haversian lamella and diameter of central canal in human were the biggest; Significant differences in the central canal diameter and total area percentage between human and animal bones were shown by imaging analysis. (1) Plexiform bone and osteon band could be the exclusive index in human bone; (2) There were significant differences in the structure of Haversian system between human and animal bones; (3) The percentage of central canals total area was valuable in species identification through imaging analysis.

Gene-Transformation-Induced Changes in Chemical Functional Group Features and Molecular Structure Conformation in Alfalfa Plants Co-Expressing Lc-bHLH and C1-MYB Transcriptive Flavanoid Regulatory Genes: Effects of Single-Gene and Two-Gene Insertion.

PubMed

Heendeniya, Ravindra G; Yu, Peiqiang

2017-03-20

Alfalfa ( Medicago sativa L.) genotypes transformed with Lc-bHLH and Lc transcription genes were developed with the intention of stimulating proanthocyanidin synthesis in the aerial parts of the plant. To our knowledge, there are no studies on the effect of single-gene and two-gene transformation on chemical functional groups and molecular structure changes in these plants. The objective of this study was to use advanced molecular spectroscopy with multivariate chemometrics to determine chemical functional group intensity and molecular structure changes in alfalfa plants when co-expressing Lc-bHLH and C1-MYB transcriptive flavanoid regulatory genes in comparison with non-transgenic (NT) and AC Grazeland (ACGL) genotypes. The results showed that compared to NT genotype, the presence of double genes ( Lc and C1 ) increased ratios of both the area and peak height of protein structural Amide I/II and the height ratio of α-helix to β-sheet. In carbohydrate-related spectral analysis, the double gene-transformed alfalfa genotypes exhibited lower peak heights at 1370, 1240, 1153, and 1020 cm -1 compared to the NT genotype. Furthermore, the effect of double gene transformation on carbohydrate molecular structure was clearly revealed in the principal component analysis of the spectra. In conclusion, single or double transformation of Lc and C1 genes resulted in changing functional groups and molecular structure related to proteins and carbohydrates compared to the NT alfalfa genotype. The current study provided molecular structural information on the transgenic alfalfa plants and provided an insight into the impact of transgenes on protein and carbohydrate properties and their molecular structure's changes.

Finite Element Analysis of Doorframe Structure of Single Oblique Pole Type in Container Crane

NASA Astrophysics Data System (ADS)

Cheng, X. F.; Wu, F. Q.; Tang, G.; Hu, X.

2017-07-01

Compared with the composite type, the single oblique pole type has more advantages, such as simple structure, thrift steel and high safe overhead clearance. The finite element model of the single oblique pole type is established in nodes by ANSYS, and more details are considered when the model is simplified, such as the section of Girder and Boom, torque in Girder and Boom occurred by Machinery house and Trolley, density according to the way of simplification etc. The stress and deformation of ten observation points are compared and analyzed, when the trolley is in nine dangerous positions. Based on the result of analysis, six dangerous points are selected to provide reference for the detection and evaluation of container crane.

A Simple and Accurate Analysis of Conductivity Loss in Millimeter-Wave Helical Slow-Wave Structures

NASA Astrophysics Data System (ADS)

Datta, S. K.; Kumar, Lalit; Basu, B. N.

2009-04-01

Electromagnetic field analysis of a helix slow-wave structure was carried out and a closed form expression was derived for the inductance per unit length of the transmission-line equivalent circuit of the structure, taking into account the actual helix tape dimensions and surface current on the helix over the actual metallic area of the tape. The expression of the inductance per unit length, thus obtained, was used for estimating the increment in the inductance per unit length caused due to penetration of the magnetic flux into the conducting surfaces following Wheeler’s incremental inductance rule, which was subsequently interpreted for the attenuation constant of the propagating structure. The analysis was computationally simple and accurate, and accrues the accuracy of 3D electromagnetic analysis by allowing the use of dispersion characteristics obtainable from any standard electromagnetic modeling. The approach was benchmarked against measurement for two practical structures, and excellent agreement was observed. The analysis was subsequently applied to demonstrate the effects of conductivity on the attenuation constant of a typical broadband millimeter-wave helical slow-wave structure with respect to helix materials and copper plating on the helix, surface finish of the helix, dielectric loading effect and effect of high temperature operation - a comparative study of various such aspects are covered.

Substructure Versus Property-Level Dispersed Modes Calculation

NASA Technical Reports Server (NTRS)

Stewart, Eric C.; Peck, Jeff A.; Bush, T. Jason; Fulcher, Clay W.

2016-01-01

This paper calculates the effect of perturbed finite element mass and stiffness values on the eigenvectors and eigenvalues of the finite element model. The structure is perturbed in two ways: at the "subelement" level and at the material property level. In the subelement eigenvalue uncertainty analysis the mass and stiffness of each subelement is perturbed by a factor before being assembled into the global matrices. In the property-level eigenvalue uncertainty analysis all material density and stiffness parameters of the structure are perturbed modified prior to the eigenvalue analysis. The eigenvalue and eigenvector dispersions of each analysis (subelement and property-level) are also calculated using an analytical sensitivity approximation. Two structural models are used to compare these methods: a cantilevered beam model, and a model of the Space Launch System. For each structural model it is shown how well the analytical sensitivity modes approximate the exact modes when the uncertainties are applied at the subelement level and at the property level.

Singular boundary method for wave propagation analysis in periodic structures

NASA Astrophysics Data System (ADS)

Fu, Zhuojia; Chen, Wen; Wen, Pihua; Zhang, Chuanzeng

2018-07-01

A strong-form boundary collocation method, the singular boundary method (SBM), is developed in this paper for the wave propagation analysis at low and moderate wavenumbers in periodic structures. The SBM is of several advantages including mathematically simple, easy-to-program, meshless with the application of the concept of origin intensity factors in order to eliminate the singularity of the fundamental solutions and avoid the numerical evaluation of the singular integrals in the boundary element method. Due to the periodic behaviors of the structures, the SBM coefficient matrix can be represented as a block Toeplitz matrix. By employing three different fast Toeplitz-matrix solvers, the computational time and storage requirements are significantly reduced in the proposed SBM analysis. To demonstrate the effectiveness of the proposed SBM formulation for wave propagation analysis in periodic structures, several benchmark examples are presented and discussed The proposed SBM results are compared with the analytical solutions, the reference results and the COMSOL software.

Determination of Elevator and Rudder Hinge Forces on the Learjet Model 55 Aircraft

NASA Technical Reports Server (NTRS)

Boroughs, R. R.; Padmanabhan, V.

1983-01-01

The empennage structure on the Learjet 55 aircraft was quite similar to the empennage structure on earlier Learjet models. However, due to an important structural change in the vertical fin along with the new loads environment on the 50 series aircraft, a structural test was required on the vertical fin, but the horizontal tail was substantiated by a comparative analysis with previous tests. NASTRAN analysis was used to investigate empennage deflections, stress levels, and control surface hinge forces. The hinge force calculations were made with the control surfaces in the deflected as well as undeflected configurations. A skin panel buckling analysis was also performed, and the non-linear effects of buckling were simulated in the NASTRAN model to more accurately define internal loads and stress levels. Comparisons were then made between the Model 55 and the Model 35/36 stresses and internal forces to determine which components were qualified by previous tests. Some of the methods and techniques used in this analysis are described.

Numerical Estimation of Sound Transmission Loss in Launch Vehicle Payload Fairing

NASA Astrophysics Data System (ADS)

Chandana, Pawan Kumar; Tiwari, Shashi Bhushan; Vukkadala, Kishore Nath

2017-08-01

Coupled acoustic-structural analysis of a typical launch vehicle composite payload faring is carried out, and results are validated with experimental data. Depending on the frequency range of interest, prediction of vibro-acoustic behavior of a structure is usually done using the finite element method, boundary element method or through statistical energy analysis. The present study focuses on low frequency dynamic behavior of a composite payload fairing structure using both coupled and uncoupled vibro-acoustic finite element models up to 710 Hz. A vibro-acoustic model, characterizing the interaction between the fairing structure, air cavity, and satellite, is developed. The external sound pressure levels specified for the payload fairing's acoustic test are considered as external loads for the analysis. Analysis methodology is validated by comparing the interior noise levels with those obtained from full scale Acoustic tests conducted in a reverberation chamber. The present approach has application in the design and optimization of acoustic control mechanisms at lower frequencies.

The Dynairship. [structural design criteria and feasibility analysis of an airplane - airship

NASA Technical Reports Server (NTRS)

Miller, W. M., Jr.

1975-01-01

A feasibility analysis for the construction and use of a combination airplane-airship named 'Dynairship' is undertaken. Payload capacities, fuel consumption, and the structural design of the craft are discussed and compared to a conventional commercial aircraft (a Boeing 747). Cost estimates of construction and operation of the craft are also discussed. The various uses of the craft are examined (i.e, in police work, materials handling, and ocean surveillance), and aerodynamic configurations and photographs are shown.

Analysis of Piezoelectric Actuator for Vibration Control of Composite plate

NASA Astrophysics Data System (ADS)

Gomaa, Ahmed R.; Hai, Huang

2017-07-01

Vibration analysis is studied numerically in this paper for a simply supported composite plate subjected to external loadings. Vibrations are controlled by using piezoelectric patches. Finite element method (ANSYS) is used for obtaining finite element model of the smart plate structure, a layered composite plate is manufactured experimentally and tested to obtain the structure mechanical properties. Different piezoelectric patch areas and different applied gain voltage effects on vibration attenuation is studied. The numerical solution is compared with the experimental work, a good agreement achieved.

[Structural analysis of the functional status of the brain as affected by bemethyl using pattern recognition theory].

PubMed

Bobkov, Iu G; Machula, A I; Morozov, Iu I; Dvalishvili, E G

1987-11-01

Evoked visual potentials in associated, parietal and second somatosensory zones of the neocortex were analysed in trained cats using implanted electrodes. The influence of bemethyl on the structure of behavioral reactions was analysed using theoretical methods of perceptual images, particularly the method of cluster analysis. Bemethyl was shown to increase the level of interaction between the functional elements of the system, leading to a more stable resolution of problems facing the system, as compared to the initial state.

Modelling and Testing of Blast Effect On the Structures

NASA Astrophysics Data System (ADS)

Figuli, Lucia; Jangl, Štefan; Papán, Daniel

2016-10-01

As a blasting agent in the blasting and mining engineering, has been using one of so called new generation of explosives which offer greater flexibility in their range and application, and such explosive is ANFO. It is type of explosive consists of an oxidiser and a fuel (ammonium nitrate and fuel oil). One of such ANFO explosives which are industrially made in Slovakia is POLONIT. The explosive is a mixture of ammonium nitrate, methyl esters of higher fatty acids, vegetable oil and red dye. The paper deals with the analysis of structure subjected to the blast load created by the explosion of POLONIT charge. First part of paper is describing behaviour and characteristic of blast wave generated from the blast (detonation characteristics, physical characteristics, time-history diagram etc.) and the second part presents the behaviour of such loaded structures, because of the analysis of such dynamical loaded structure is required knowing the parameters of blast wave, its effect on structure and the tools for the solution of dynamic analysis. The real field tests of three different weight of charges and two different structures were done. The explosive POLONIT was used together with 25 g of ignition explosive PLNp10. Analytical and numerical model of blast loaded structure is compared with the results obtained from the field tests (is compared with the corresponding experimental accelerations). For the modelling structures were approximated as a one-degree system of freedom (SDOF), where the blast wave was estimated with linear decay and exponential decay using positive and negative phase of blast wave. Numerical solution of the steel beam dynamic response was performed via FEM (Finite Element Method) using standard software Visual FEA.

Effect of microwave treatment on structure of binders based on sodium carboxymethyl starch: FT-IR, FT-Raman and XRD investigations

NASA Astrophysics Data System (ADS)

Kaczmarska, Karolina; Grabowska, Beata; Spychaj, Tadeusz; Zdanowicz, Magdalena; Sitarz, Maciej; Bobrowski, Artur; Cukrowicz, Sylwia

2018-06-01

The paper deals with the influence of the microwave treatment on sodium carboxymethyl starch (CMS-Na) applied as a binder for moulding sands. The Fourier transformation infrared spectrometry (FT-IR), Raman spectroscopy (FT-Raman) and XRD analysis data of native potato starch and three different carboxymethyl starches (CMS-Na) with various degree of substitution (DS) before and after exposition to microwave radiation have been compared. FT-IR studies showed that polar groups present in CMS-Na structure take part in the formation of new hydrogen bonds network after water evaporation. However, these changes depend on DS value of the modified starch. The FT-Raman study confirmed that due to the impact on the samples by microwave, the changes of intensity in the characteristic bands associated with the crystalline regions in the sample were noticed. The X-ray diffraction data for microwave treated CMS-Na samples have been compared with the diffractograms of initial materials and analysis of XRD patterns confirmed that microwave-treated samples exhibit completely amorphous structure. Analysis of structural changes allows to state that the binding of sand grains in moulding sand with CMS-Na polymeric binder consists in the formation of hydrogen bonds networks (physical cross-linking).

Structural analysis of an HLA-B27 functional variant, B27d detected in American blacks

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

Rojo, S.; Aparicio, P.; Hansen, J.A.

1987-11-15

The structure of a new functional variant B27d has been established by comparative peptide mapping and radiochemical sequencing. This analysis complete the structural characterization of the six know histocompatibility leukocyte antigen (HLA)-B27 subtypes. The only detected amino acid change between the main HLA-B27.1 subtype and B27d is that of Try/sub 59/ to His/sub 59/. Position 59 has not been previously found to vary among class I HLA or H-2 antigens. Such substitution accounts for the reported isoelectric focusing pattern of this variant. HLA-B27d is the only B27 variant found to differ from other subtypes by a single amino acid replacement.more » The nature of the change is compatible with its origin by a point mutation from HLB-B27.1. Because B27d was found only American blacks and in no other ethnic groups, it is suggested that this variant originated as a result of a mutation of the B27.1 gene that occurred within the black population. Structural analysis of B27d was done by comparative mapping. Radiochemical sequencing was carried out with /sup 14/C-labeled and /sup 3/H-labeled amino acids.« less

Effect of microwave treatment on structure of binders based on sodium carboxymethyl starch: FT-IR, FT-Raman and XRD investigations.

PubMed

Kaczmarska, Karolina; Grabowska, Beata; Spychaj, Tadeusz; Zdanowicz, Magdalena; Sitarz, Maciej; Bobrowski, Artur; Cukrowicz, Sylwia

2018-06-15

The paper deals with the influence of the microwave treatment on sodium carboxymethyl starch (CMS-Na) applied as a binder for moulding sands. The Fourier transformation infrared spectrometry (FT-IR), Raman spectroscopy (FT-Raman) and XRD analysis data of native potato starch and three different carboxymethyl starches (CMS-Na) with various degree of substitution (DS) before and after exposition to microwave radiation have been compared. FT-IR studies showed that polar groups present in CMS-Na structure take part in the formation of new hydrogen bonds network after water evaporation. However, these changes depend on DS value of the modified starch. The FT-Raman study confirmed that due to the impact on the samples by microwave, the changes of intensity in the characteristic bands associated with the crystalline regions in the sample were noticed. The X-ray diffraction data for microwave treated CMS-Na samples have been compared with the diffractograms of initial materials and analysis of XRD patterns confirmed that microwave-treated samples exhibit completely amorphous structure. Analysis of structural changes allows to state that the binding of sand grains in moulding sand with CMS-Na polymeric binder consists in the formation of hydrogen bonds networks (physical cross-linking). Copyright © 2018 Elsevier B.V. All rights reserved.

Three-dimensional quantitative structure-activity relationship analysis for human pregnane X receptor for the prediction of CYP3A4 induction in human hepatocytes: structure-based comparative molecular field analysis.

PubMed

Handa, Koichi; Nakagome, Izumi; Yamaotsu, Noriyuki; Gouda, Hiroaki; Hirono, Shuichi

2015-01-01

The pregnane X receptor [PXR (NR1I2)] induces the expression of xenobiotic metabolic genes and transporter genes. In this study, we aimed to establish a computational method for quantifying the enzyme-inducing potencies of different compounds via their ability to activate PXR, for the application in drug discovery and development. To achieve this purpose, we developed a three-dimensional quantitative structure-activity relationship (3D-QSAR) model using comparative molecular field analysis (CoMFA) for predicting enzyme-inducing potencies, based on computer-ligand docking to multiple PXR protein structures sampled from the trajectory of a molecular dynamics simulation. Molecular mechanics-generalized born/surface area scores representing the ligand-protein-binding free energies were calculated for each ligand. As a result, the predicted enzyme-inducing potencies for compounds generated by the CoMFA model were in good agreement with the experimental values. Finally, we concluded that this 3D-QSAR model has the potential to predict the enzyme-inducing potencies of novel compounds with high precision and therefore has valuable applications in the early stages of the drug discovery process. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Hydrogen bonding interactions and supramolecular assemblies in 2-amino guanidinium 4-methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations

NASA Astrophysics Data System (ADS)

Muthuraja, P.; Joselin Beaula, T.; Balachandar, S.; Bena Jothy, V.; Dhandapani, M.

2017-10-01

2-aminoguanidinium 4-methyl benzene sulphonate (AGMS), an organic compound with big assembly of hydrogen bonding interactions was crystallized at room temperature. The structure of the compound was confirmed by FT-IR, NMR and single crystal X-ray diffraction analysis. Numerous hydrogen bonded interactions were found to form supramolecular assemblies in the molecular structure. Fingerprint plots of Hirshfeld surface analysis spells out the interactions in various directions. The molecular structure of AGMS was optimised by HF, MP2 and DFT (B3LYP and CAM-B3LYP) methods at 6-311G (d,p) basis set and the geometrical parameters were compared. Electrostatic potential calculations of the reactants and product confirm the transfer of proton. Optical properties of AGMS were ascertained by UV-Vis absorbance and reflectance spectra. The band gap of AGMS is found to be 2.689 eV. Due to numerous hydrogen bonds, the crystal is thermally stable up to 200 °C. Hyperconjugative interactions which are responsible for the second hyperpolarizabilities were accounted by NBO analysis. Static and frequency dependent optical properties were calculated at HF and DFT methods. The hyperpolarizabilities of AGMS increase rapidly at frequencies 0.0428 and 0.08 a.u. compared to static one. The compound exhibits violet and blue emission.

Study on evaluation methods for Rayleigh wave dispersion characteristic

USGS Publications Warehouse

Shi, L.; Tao, X.; Kayen, R.; Shi, H.; Yan, S.

2005-01-01

The evaluation of Rayleigh wave dispersion characteristic is the key step for detecting S-wave velocity structure. By comparing the dispersion curves directly with the spectra analysis of surface waves (SASW) method, rather than comparing the S-wave velocity structure, the validity and precision of microtremor-array method (MAM) can be evaluated more objectively. The results from the China - US joint surface wave investigation in 26 sites in Tangshan, China, show that the MAM has the same precision with SASW method in 83% of the 26 sites. The MAM is valid for Rayleigh wave dispersion characteristic testing and has great application potentiality for site S-wave velocity structure detection.

Comparing HE Policies in Europe

ERIC Educational Resources Information Center

Bleiklie, Ivar; Michelsen, Svein

2013-01-01

The purpose of this paper is to develop a conceptual framework for a comparative analysis of Higher Education policies that enables us to investigate the explanatory power of structural characteristics of politico-administrative systems. The policies that are studied aim at improving the efficiency and quality of institutional performance. The…

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, microstructural and thermal analysis of U-(6-x)Zr-xNb alloys (x = 0, 2, 4, 6)

NASA Astrophysics Data System (ADS)

Kaity, Santu; Banerjee, Joydipta; Parida, S. C.; Bhasin, Vivek

2018-06-01

Uranium-rich U-Zr-Nb alloy is considered as a good alternative fuel for fast reactors from the perspective of excellent dimensional stability and desired thermo-physical properties to achieve higher burnup. Detailed investigations related to the structural and microstructural characterization, thermal expansion, phase transformation, microhardness were carried out on U-6Zr, U-4Zr-2Nb, U-2Zr-4Nb and U-6Nb alloys (composition in wt%) where the total amount of alloying elements was restricted to 6 wt%. Structural, microstructural and thermal analysis studies revealed that these alloys undergo a series of transformations from high temperature bcc γ-phase to a variety of equilibrium and intermediate phases depending upon alloy composition, cooling rate and quenching. The structural analysis was carried out by Rietveld refinement. The data of U-Nb and U-Zr-Nb alloys have been highlighted and compared with binary U-Zr alloy.

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

NASA Technical Reports Server (NTRS)

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

2000-01-01

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

Baccharis dracunculifolia-based mouthrinse alters the exopolysaccharide structure in cariogenic biofilms.

PubMed

Aires, Carolina P; Sassaki, Guilherme L; Santana-Filho, Arquimedes P; Spadaro, Augusto C C; Cury, Jaime A

2016-03-01

Baccharis dracunculifolia is a native plant from Brazil with antimicrobial activity. The purpose of this study was to investigate whether a B. dracunculifolia-based mouthrinse (Bd) changes the structure of insoluble exopolysaccharides (IEPS) in Streptococcus mutans UA159 cariogenic biofilm. Biofilms were grown on glass slides and treated with Bd, its vehicle (VC), chlorhexidine digluconate (CHX), or saline solution (NaCl). Among the treatments, only CHX significantly reduced the biofilm biomass and bacterial viability (p<0.05). Gas chromatography-mass spectrometry and nuclear magnetic resonance analyses revealed that IEPS from the four biofilm samples were α- glucans containing different proportions of (1→6) and (1→3) glycosidic linkages. The structural differences among the four IEPS were compared by principal component analysis (PCA). PCA analysis indicated that IEPS from VC- and NaCl-treated biofilms were structurally similar to each other. Compared with the control, IEPS from Bd- and CHX-treated biofilms were structurally different and had distinct chemical profiles. In summary, the fact that Bd changed the IEPS chemical composition indicates that this mouthrinse may affect the cariogenic properties of the S. mutans biofilm formed. Copyright © 2015. Published by Elsevier B.V.

Evaluation of Road Performance Based on International Roughness Index and Falling Weight Deflectometer

NASA Astrophysics Data System (ADS)

Hasanuddin; Setyawan, A.; Yulianto, B.

2018-03-01

Assessment to the performance of road pavement is deemed necessary to improve the management quality of road maintenance and rehabilitation. This research to evaluate the road base on functional and structural and recommendations handling done. Assessing the pavement performance is conducted with functional and structural evaluation. Functional evaluation of pavement is based on the value of IRI (International Roughness Index) which among others is derived from reading NAASRA for analysis and recommended road handling. Meanwhile, structural evaluation of pavement is done by analyzing deflection value based on FWD (Falling Weight Deflectometer) data resulting in SN (Structural Number) value. The analysis will result in SN eff (Structural Number Effective) and SN f (Structural Number Future) value obtained from comparing SN eff to SN f value that leads to SCI (Structural Condition Index) value. SCI value implies the possible recommendation for handling pavement. The study done to Simpang Tuan-Batas Kota Jambi road segment was based on functional analysis. The study indicated that the road segment split into 12 segments in which segment 1, 3, 5, 7, 9, and 11 were of regular maintenance, segment 2, 4, 8, 10, 12 belonged to periodic maintenance, and segment 6 was of rehabilitation. The structural analysis resulted in 8 segments consisting of segment 1 and 2 recommended for regular maintenance, segment 3, 4, 5, and 7 for functional overlay, and 6 and 8 were of structural overlay.

DMS-MaPseq for genome-wide or targeted RNA structure probing in vivo.

PubMed

Zubradt, Meghan; Gupta, Paromita; Persad, Sitara; Lambowitz, Alan M; Weissman, Jonathan S; Rouskin, Silvi

2017-01-01

Coupling of structure-specific in vivo chemical modification to next-generation sequencing is transforming RNA secondary structure studies in living cells. The dominant strategy for detecting in vivo chemical modifications uses reverse transcriptase truncation products, which introduce biases and necessitate population-average assessments of RNA structure. Here we present dimethyl sulfate (DMS) mutational profiling with sequencing (DMS-MaPseq), which encodes DMS modifications as mismatches using a thermostable group II intron reverse transcriptase. DMS-MaPseq yields a high signal-to-noise ratio, can report multiple structural features per molecule, and allows both genome-wide studies and focused in vivo investigations of even low-abundance RNAs. We apply DMS-MaPseq for the first analysis of RNA structure within an animal tissue and to identify a functional structure involved in noncanonical translation initiation. Additionally, we use DMS-MaPseq to compare the in vivo structure of pre-mRNAs with their mature isoforms. These applications illustrate DMS-MaPseq's capacity to dramatically expand in vivo analysis of RNA structure.

Probing the pH sensitivity of R-phycoerythrin: investigations of active conformational and functional variation.

PubMed

Liu, Lu-Ning; Su, Hai-Nan; Yan, Shi-Gan; Shao, Si-Mi; Xie, Bin-Bin; Chen, Xiu-Lan; Zhang, Xi-Ying; Zhou, Bai-Cheng; Zhang, Yu-Zhong

2009-07-01

Crystal structures of phycobiliproteins have provided valuable information regarding the conformations and amino acid organizations of peptides and chromophores, and enable us to investigate their structural and functional relationships with respect to environmental variations. In this work, we explored the pH-induced conformational and functional dynamics of R-phycoerythrin (R-PE) by means of absorption, fluorescence and circular dichroism spectra, together with analysis of its crystal structure. R-PE presents stronger functional stability in the pH range of 3.5-10 compared to the structural stability. Beyond this range, pronounced functional and structural changes occur. Crystal structure analysis shows that the tertiary structure of R-PE is fixed by several key anchoring points of the protein. With this specific association, the fundamental structure of R-PE is stabilized to present physiological spectroscopic properties, while local variations in protein peptides are also allowed in response to environmental disturbances. The functional stability and relative structural sensitivity of R-PE allow environmental adaptation.

a Study of the Synchrotron Laue Method for Quantitative Crystal Structure Analysis.

NASA Astrophysics Data System (ADS)

Gomez de Anderez, Dora M.

1990-01-01

Available from UMI in association with The British Library. Quantitative crystal structure analyses have been carried out on small molecule crystals using synchrotron radiation and the Laue method. A variety of single crystal structure determinations and associated refinements are used and compared with the monochromatic analyses. The new molecular structure of 7-amino-5-bromo -4-methyl-2-oxo-1,2,3,4-tetrahidro-1, 6 -naphthyridine-8-carbonitrile (C_{10 }H_9ON_4 Br.H_2O) has been determined, first using monochromatic Mo Kalpha radiation and a four-circle diffractometer, then using synchrotron Laue diffraction photography. The structure refinements showed a R-factor of 4.97 and 14.0% for the Mo Kalpha and Laue data respectively. The molecular structure of (S)-2-chloro-2-fluoro-N-((S)-1-phenylethyl) ethanamide, (C_{10}H _{11}ClFNO), has been determined using the same crystal throughout for X-ray monochromatic analyses (Mo Kalpha and Cu K alpha) followed by synchrotron Laue data collection. The Laue and monochromatic data compare favourably. The R -factors (on F) were 6.23, 6.45 and 8.19% for the Mo K alpha, Cu Kalpha and Laue data sets respectively. The molecular structure of 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1,3-diphenyl -prop- 2-en-1-one, (C_{25 }H_{20}N _2O_2) has been determined using the synchrotron Laue method. The results compare very well with Mo Kalpha monochromatic data. The R-factors (on F) were 4.60 and 5.29% for Mo Kalpha and Laue analysis respectively. The Laue method is assessed in locating the 20 hydrogen atoms in this structure. The structure analysis of the benzil compound ((C_6H_5 O.CO_2)) is carried out using the synchrotron Laue method firstly at room temperature and secondly at low temperature -114 ^circC. The structure shows an R-factor (on F) of 13.06% and 6.85% for each data set respectively. The synchrotron Laue method was used to collect data for ergocalciferol (Vitamin D_2). The same crystal was also used to record oscillation data with the synchrotron radiation monochromatic beam. A new molecular structure of (Dinitrato-(N,N ^'-dimethylethylene-diamine)copper(II)) has been determined using Mo Kalpha radiation on a four circle diffractometer. The refinement resulted in an R-factor (on F) of 4.06%.

Structural, spectral, NLO and MEP analysis of the [MgO2Ti2(OPri)6], [MgO2Ti2(OPri)2(acac)4] and [MgO2Ti2(OPri)2(bzac)4] by DFT method

NASA Astrophysics Data System (ADS)

Sayin, Koray; Karakaş, Duran

2015-06-01

Quantum chemical calculations are performed on [MgO2Ti2(OPri)6] and [MgO2Ti2(OPri)2(L)4] complexes. L is acetylacetonate (acac) and benzoylacetonate (bzac) anion. The crystal structures of these complexes have not been obtained as experimentally but optimized structures of these complexes are obtained as theoretically in this study. Universal force field (UFF) and DFT/B3LYP method are used to obtain optimized structures. Theoretical spectral analysis (IR, 1H and 13C NMR) is compared with their experimental values. A good agreement is found between experimental and theoretical spectral analysis. These results mean that the optimized structures of mentioned complexes are appropriate. Additionally, the active sites of mentioned complexes are determined by molecular electrostatic potential (MEP) diagrams and non-linear optical (NLO) properties are investigated.

Loading tests of a wing structure for a hypersonic aircraft

NASA Technical Reports Server (NTRS)

Fields, R. A.; Reardon, L. F.; Siegel, W. H.

1980-01-01

Room-temperature loading tests were conducted on a wing structure designed with a beaded panel concept for a Mach 8 hypersonic research airplane. Strain, stress, and deflection data were compared with the results of three finite-element structural analysis computer programs and with design data. The test program data were used to evaluate the structural concept and the methods of analysis used in the design. A force stiffness technique was utilized in conjunction with load conditions which produced various combinations of panel shear and compression loading to determine the failure envelope of the buckling critical beaded panels The force-stiffness data did not result in any predictions of buckling failure. It was, therefore, concluded that the panels were conservatively designed as a result of design constraints and assumptions of panel eccentricities. The analysis programs calculated strains and stresses competently. Comparisons between calculated and measured structural deflections showed good agreement. The test program offered a positive demonstration of the beaded panel concept subjected to room-temperature load conditions.

Structure and variation of the mitochondrial genome of fishes.

PubMed

Satoh, Takashi P; Miya, Masaki; Mabuchi, Kohji; Nishida, Mutsumi

2016-09-07

The mitochondrial (mt) genome has been used as an effective tool for phylogenetic and population genetic analyses in vertebrates. However, the structure and variability of the vertebrate mt genome are not well understood. A potential strategy for improving our understanding is to conduct a comprehensive comparative study of large mt genome data. The aim of this study was to characterize the structure and variability of the fish mt genome through comparative analysis of large datasets. An analysis of the secondary structure of proteins for 250 fish species (248 ray-finned and 2 cartilaginous fishes) illustrated that cytochrome c oxidase subunits (COI, COII, and COIII) and a cytochrome bc1 complex subunit (Cyt b) had substantial amino acid conservation. Among the four proteins, COI was the most conserved, as more than half of all amino acid sites were invariable among the 250 species. Our models identified 43 and 58 stems within 12S rRNA and 16S rRNA, respectively, with larger numbers than proposed previously for vertebrates. The models also identified 149 and 319 invariable sites in 12S rRNA and 16S rRNA, respectively, in all fishes. In particular, the present result verified that a region corresponding to the peptidyl transferase center in prokaryotic 23S rRNA, which is homologous to mt 16S rRNA, is also conserved in fish mt 16S rRNA. Concerning the gene order, we found 35 variations (in 32 families) that deviated from the common gene order in vertebrates. These gene rearrangements were mostly observed in the area spanning the ND5 gene to the control region as well as two tRNA gene cluster regions (IQM and WANCY regions). Although many of such gene rearrangements were unique to a specific taxon, some were shared polyphyletically between distantly related species. Through a large-scale comparative analysis of 250 fish species mt genomes, we elucidated various structural aspects of the fish mt genome and the encoded genes. The present results will be important for understanding functions of the mt genome and developing programs for nucleotide sequence analysis. This study demonstrated the significance of extensive comparisons for understanding the structure of the mt genome.

Radiographic analysis of sedimentary structures and depositional histories in Apollo 15 cores

NASA Technical Reports Server (NTRS)

Coch, N. K.

1977-01-01

Radiographs of the Apollo 15 deepdrill drive tubes were analyzed on an SDS electronic enhancer to determine sedimentary structures in the core samples. The data obtained were compared with all other Apollo mission radiographs and used to make inferences on the character of sedimentary depositional processes on the lunar surface.

Shared Teaching Culture in Different Forms: A Comparison of Expert and Novice Teachers' Practices

ERIC Educational Resources Information Center

Arani, Mohammad Reza Sarkar

2017-01-01

This study aims to reveal the teaching script and structure of lesson practice of two seventh-grade Japanese mathematics teachers--a "novice" and "expert"--through comparative analysis of mathematics lessons. Specifically, it aims to clarify how the teachers' views of teaching as tacit knowledge determine lesson structure and…

Ability Structure and Loss of Vision. Research Series, Number 18.

ERIC Educational Resources Information Center

Juurmaa, Jyrki

In the analysis of ability structure and loss of vision, 228 blind persons (153 male, 75 female) heterogenous in respect to chronological age, sex, degree of blindness, age at onset, and duration, were compared to sighted controls. A test battery was administered which included tests for verbal comprehension, mental arithmetic, spatial ability,…

Legislative Provisions Underlying Trade Unions' Right to Define Their Organizational Structure

ERIC Educational Resources Information Center

Korobchenko, Victoria V.; Penov, Yury V.; Safonov, Valery A.

2016-01-01

The article contains a comparative analysis of constitutional and other legislative provisions that ensure a trade union's right to define its own administrative structure in European states. The aim of the study is to reveal the management's problems of European trade unions, declarative and empirical mass-character legislative provisions, which…

APPLICATION OF COMPUTER-AIDED TOMOGRAPHY TO VISUALIZE AND QUANTIFY BIOGENIC STRUCTURES IN MARINE SEDIMENTS

EPA Science Inventory

We used computer-aided tomography (CT) for 3D visualization and 2D analysis of

marine sediment cores from 3 stations (at 10, 75 and 118 m depths) with different environmental

impact. Biogenic structures such as tubes and burrows were quantified and compared among st...

Chinese American Post-Secondary Achievement and Attainment: A Cultural and Structural Analysis

ERIC Educational Resources Information Center

Pearce, Richard R.; Lin, Zeng

2007-01-01

In this article, the authors compare Chinese American post-secondary educational attainment with that of White Americans and, in identifying those factors that most strongly account for success, argue that commonalities exist among social structural factors, while distinct differences are evident among cultural capital factors. The article rejects…

Parent Participation in School Governance: A Legal Analysis of Experiences in South Africa and Kentucky

ERIC Educational Resources Information Center

Bathon, Justin; Beckmann, Johan; Bjork, Lars G.

2011-01-01

This comparative study on the educational governance systems of South Africa and the Commonwealth of Kentucky examines legal evidence from judicial decisions and administrative law to understand similarities in how school-based governance structures have been developed. We found that although school-level governance structures may provide greater…

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

Faulds, James

We conducted a comprehensive analysis of the structural controls of geothermal systems within the Great Basin and adjacent regions. Our main objectives were to: 1) Produce a catalogue of favorable structural environments and models for geothermal systems. 2) Improve site-specific targeting of geothermal resources through detailed studies of representative sites, which included innovative techniques of slip tendency analysis of faults and 3D modeling. 3) Compare and contrast the structural controls and models in different tectonic settings. 4) Synthesize data and develop methodologies for enhancement of exploration strategies for conventional and EGS systems, reduction in the risk of drilling non-productive wells,more » and selecting the best EGS sites.« less

Analysis and characterizations of planar transmission structures and components for superconducting and monolithic integrated circuits

NASA Technical Reports Server (NTRS)

Itoh, Tatsuo

1991-01-01

The analysis and modeling of superconducting planar transmission lines were performed. Theoretically, the highest possible Q values of superconducting microstrip line was calculated and, as a result, it provided the Q value that the experiment can aim for. As an effort to search for a proper superconducting transmission line structure, the superconducting microstrip line and coplanar waveguide were compared in terms of loss characteristics and their design aspects. Also, the research was expanded to a superconducting coplanar waveguide family in the microwave packaging environment. Theoretically, it was pointed out that the substrate loss is critical in the superconducting transmission line structures.

Grassland vegetation and bird communities in the southern Great Plains of North America

USGS Publications Warehouse

Chapman, R.N.; Engle, David M.; Masters, R.E.; Leslie, David M.

2004-01-01

Structure and composition of vegetation and abundance of breeding birds in grasslands seeded to Old World bluestem (Bothriochloa ischmaeum) were compared to native mixed prairie in the southern Great Plains of North America. Abundance of birds was determined using fixed-radius point counts. Detrended correspondence analysis was used to compare plant community composition and canonical correspondence analysis was used to examine the relationships between plant species composition and vegetation structure with the bird community. Plant species composition differed distinctly between seeded grassland and native mixed prairie, but the differences were not reflected in habitat structure, bird community composition, or abundance of bird species. Seeded grassland was inferior to native mixed prairie in terms of diversity of plant species, but that difference did not translate into meaningful differences in structure that drove habitat selection by breeding birds. Conservation programs that promote establishment of seeded grassland and do not allow for suitable disturbance regimes will selectively benefit a narrow suite of birds regardless of plant species composition. ?? 2004 Elsevier B.V. All rights reserved.

Comparison of Requirements for Composite Structures for Aircraft and Space Applications

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Elliot, Kenny B.; Hampton, Roy W.; Knight, Norman F., Jr.; Aggarwal, Pravin; Engelstad, Stephen P.; Chang, James B.

2010-01-01

In this report, the aircraft and space vehicle requirements for composite structures are compared. It is a valuable exercise to study composite structural design approaches used in the airframe industry and to adopt methodology that is applicable for space vehicles. The missions, environments, analysis methods, analysis validation approaches, testing programs, build quantities, inspection, and maintenance procedures used by the airframe industry, in general, are not transferable to spaceflight hardware. Therefore, while the application of composite design approaches from aircraft and other industries is appealing, many aspects cannot be directly utilized. Nevertheless, experiences and research for composite aircraft structures may be of use in unexpected arenas as space exploration technology develops, and so continued technology exchanges are encouraged.

Comparative transcriptomic analysis of key genes involved in flavonoid biosynthetic pathway and identification of a flavonol synthase from Artemisia annua L.

PubMed

Liu, S; Liu, L; Tang, Y; Xiong, S; Long, J; Liu, Z; Tian, N

2017-07-01

The regulatory mechanism of flavonoids, which synergise anti-malarial and anti-cancer compounds in Artemisia annua, is still unclear. In this study, an anthocyanidin-accumulating mutant callus was induced from A. annua and comparative transcriptomic analysis of wild-type and mutant calli performed, based on the next-generation Illumina/Solexa sequencing platform and de novo assembly. A total of 82,393 unigenes were obtained and 34,764 unigenes were annotated in the public database. Among these, 87 unigenes were assigned to 14 structural genes involved in the flavonoid biosynthetic pathway and 37 unigenes were assigned to 17 structural genes related to metabolism of flavonoids. More than 30 unigenes were assigned to regulatory genes, including R2R3-MYB, bHLH and WD40, which might regulate flavonoid biosynthesis. A further 29 unigenes encoding flavonoid biosynthetic enzymes or transcription factors were up-regulated in the mutant, while 19 unigenes were down-regulated, compared with the wild type. Expression levels of nine genes involved in the flavonoid pathway were compared using semi-quantitative RT-PCR, and results were consistent with comparative transcriptomic analysis. Finally, a putative flavonol synthase gene (AaFLS1) was identified from enzyme assay in vitro and in vivo through heterogeneous expression, and confirmed comparative transcriptomic analysis of wild-type and mutant callus. The present work has provided important target genes for the regulation of flavonoid biosynthesis in A. annua. © 2017 German Botanical Society and The Royal Botanical Society of the Netherlands.

Facile synthesis of silicon nanowire-nanopillar superhydrophobic structures

NASA Astrophysics Data System (ADS)

Roy, Abhijit; Satpati, Biswarup

2018-04-01

We have used metal assisted chemical etching (MACE) method to produce silicon (Si) nanowire-nanopillar array. Nanowire-nanopillar combined structures show higher degree of hydrophobicity compared to its nanowire (Si-NW) counterparts. The rate of etching is depended on initial metal deposition. The structural analysis was carried out using scanning electron microscopy (SEM) in combination with transmission electron microscopy (TEM) to determine different parameters like etching direction, crystallinity etc.

Structural pounding of concrete frame structure with masonry infill wall under seismic loading

NASA Astrophysics Data System (ADS)

Ismail, Rozaina; Hasnan, Mohd Hafizudin; Shamsudin, Nurhanis

2017-10-01

Structural pounding is additional problem than the other harmful damage that may occurs due to the earthquake vibrations. A lot of study has been made by past researcher but most of them did not include the walls. The infill masonry walls are rarely involved analysis of structural systems but it does contribute to earthquake response of the structures. In this research, a comparison between adjacent building of 10-storey and 7-storey concrete frame structure without of masonry infill walls and the same dynamic properties of buildings. The diagonal strut approach is adopted for modeling masonry infill walls. This research also focused on finding critical building separation in order to prevent the adjacent structures from pounding. LUSAS FEA v14.03 software has been used for modeling analyzing the behavior of structures due to seismic loading and the displacement each floor of the building has been taken in order to determine the critical separation distance between the buildings. From the analysis that has been done, it is found that masonry infill walls do affect the structures behavior under seismic load. Structures without masonry infill walls needs more distance between the structures to prevent structural pounding due to higher displacement of the buildings when it sways under seismic load compared to structures with masonry infill walls. This shows that contribution of masonry infill walls to the analysis of structures cannot be neglected.

Novel proteases from the genome of the carnivorous plant Drosera capensis: structural prediction and comparative analysis

PubMed Central

Butts, Carter T.; Bierma, Jan C.; Martin, Rachel W.

2016-01-01

In his 1875 monograph on insectivorous plants, Darwin described the feeding reactions of Drosera flypaper traps and predicted that their secretions contained a “ferment” similar to mammalian pepsin, an aspartic protease. Here we report a high-quality draft genome sequence for the cape sundew, Drosera capensis, the first genome of a carnivorous plant from order Caryophyllales, which also includes the Venus flytrap (Dionaea) and the tropical pitcher plants (Nepenthes). This species was selected in part for its hardiness and ease of cultivation, making it an excellent model organism for further investigations of plant carnivory. Analysis of predicted protein sequences yields genes encoding proteases homologous to those found in other plants, some of which display sequence and structural features that suggest novel functionalities. Because the sequence similarity to proteins of known structure is in most cases too low for traditional homology modeling, 3D structures of representative proteases are predicted using comparative modeling with all-atom refinement. Although the overall folds and active residues for these proteins are conserved, we find structural and sequence differences consistent with a diversity of substrate recognition patterns. Finally, we predict differences in substrate specificities using in silico experiments, providing targets for structure/function studies of novel enzymes with biological and technological significance. PMID:27353064

Redesigning of a Canard Control Surface of an Advanced Fighter Aircraft: Effect on Buckling and Aerodynamic Behavior

NASA Astrophysics Data System (ADS)

Shrivastava, Sachin; Mohite, P. M.

2015-01-01

A redesign of canard control-surface of an advanced all-metallic fighter aircraft was carried out by using carbon fibre composite (CFC) for ribs and panels. In this study ply-orientations of CFC structure are optimized using a Genetic-Algorithm (GA) with an objective function to have minimum failure index (FI) according to Tsai-Wu failure criterion. The redesigned CFC structure was sufficiently strong to withstand aerodynamic loads from stress and deflection points of view. Now, in the present work CFC canard structure has been studied for its buckling strength in comparison to existing metallic design. In this study, the existing metallic design was found to be weak in buckling. Upon a detailed investigation, it was revealed that there are reported failures in the vicinity of zones where initial buckling modes are excited as predicted by the finite element based buckling analysis. In view of buckling failures, the redesigned CFC structure is sufficiently reinforced with stringers at specific locations. After providing reinforcements against buckling, the twist and the camber variations of the airfoil are checked and compared with existing structure data. Finally, the modal analysis has been carried out to compare the variation in excitation frequency due to material change. The CFC structure thus redesigned is safe from buckling and aerodynamic aspects as well.

Overcoming complexities: Damage detection using dictionary learning framework

NASA Astrophysics Data System (ADS)

Alguri, K. Supreet; Melville, Joseph; Deemer, Chris; Harley, Joel B.

2018-04-01

For in situ damage detection, guided wave structural health monitoring systems have been widely researched due to their ability to evaluate large areas and their ability detect many types of damage. These systems often evaluate structural health by recording initial baseline measurements from a pristine (i.e., undamaged) test structure and then comparing later measurements with that baseline. Yet, it is not always feasible to have a pristine baseline. As an alternative, substituting the baseline with data from a surrogate (nearly identical and pristine) structure is a logical option. While effective in some circumstance, surrogate data is often still a poor substitute for pristine baseline measurements due to minor differences between the structures. To overcome this challenge, we present a dictionary learning framework to adapt surrogate baseline data to better represent an undamaged test structure. We compare the performance of our framework with two other surrogate-based damage detection strategies: (1) using raw surrogate data for comparison and (2) using sparse wavenumber analysis, a precursor to our framework for improving the surrogate data. We apply our framework to guided wave data from two 108 mm by 108 mm aluminum plates. With 20 measurements, we show that our dictionary learning framework achieves a 98% accuracy, raw surrogate data achieves a 92% accuracy, and sparse wavenumber analysis achieves a 57% accuracy.

The Synthesis of Silicon Carbide in Rhombohedral Form with Different Chemicals

NASA Astrophysics Data System (ADS)

KARİPER, İ. AFŞIN

2017-06-01

This study describes the attempt at producing silicon carbide using a simpler and less costly method. Within the study, XRD, EDX, and FTIR analyses were performed to determine the structural properties of the product, and SEM analyses were used to identify its surface properties. The characteristics such as porosity and surface area were determined through BET analysis. The starting reagents were compared with the product using FTIR analysis, whereas the product was compared with a sample of SiC procured from a supplier who manufactures high-purity products through BET analysis. In EDX analysis, approximately 72 pct Si and 28 pct C were identified. The vibrational peaks of the synthesized product (characteristics Si-C bonds) were observed at around 1076 cm-1 (FTIR analysis). At the same time, the outcomes were compared with major publications in the literature.

An Aeroelastic Analysis of a Thin Flexible Membrane

NASA Technical Reports Server (NTRS)

Scott, Robert C.; Bartels, Robert E.; Kandil, Osama A.

2007-01-01

Studies have shown that significant vehicle mass and cost savings are possible with the use of ballutes for aero-capture. Through NASA's In-Space Propulsion program, a preliminary examination of ballute sensitivity to geometry and Reynolds number was conducted, and a single-pass coupling between an aero code and a finite element solver was used to assess the static aeroelastic effects. There remain, however, a variety of open questions regarding the dynamic aeroelastic stability of membrane structures for aero-capture, with the primary challenge being the prediction of the membrane flutter onset. The purpose of this paper is to describe and begin addressing these issues. The paper includes a review of the literature associated with the structural analysis of membranes and membrane utter. Flow/structure analysis coupling and hypersonic flow solver options are also discussed. An approach is proposed for tackling this problem that starts with a relatively simple geometry and develops and evaluates analysis methods and procedures. This preliminary study considers a computationally manageable 2-dimensional problem. The membrane structural models used in the paper include a nonlinear finite-difference model for static and dynamic analysis and a NASTRAN finite element membrane model for nonlinear static and linear normal modes analysis. Both structural models are coupled with a structured compressible flow solver for static aeroelastic analysis. For dynamic aeroelastic analyses, the NASTRAN normal modes are used in the structured compressible flow solver and 3rd order piston theories were used with the finite difference membrane model to simulate utter onset. Results from the various static and dynamic aeroelastic analyses are compared.

Geometrical analysis of Cys-Cys bridges in proteins and their prediction from incomplete structural information

NASA Technical Reports Server (NTRS)

Goldblum, A.; Rein, R.

1987-01-01

Analysis of C-alpha atom positions from cysteines involved in disulphide bridges in protein crystals shows that their geometric characteristics are unique with respect to other Cys-Cys, non-bridging pairs. They may be used for predicting disulphide connections in incompletely determined protein structures, such as low resolution crystallography or theoretical folding experiments. The basic unit for analysis and prediction is the 3 x 3 distance matrix for Cx positions of residues (i - 1), Cys(i), (i +1) with (j - 1), Cys(j), (j + 1). In each of its columns, row and diagonal vector--outer distances are larger than the central distance. This analysis is compared with some analytical models.

Structural properties of ultrafine Ba-hexaferrite nanoparticles

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

Makovec, Darko, E-mail: Darko.Makovec@ijs.si; Primc, Darinka; Sturm, Saso

2012-12-15

Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was studied using X-ray diffractometry (XRD), high-resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDXS), X-ray absorption fine structure (XAFS), and Moessbauer spectroscopy (MS), to be compared to the structure of larger nanoparticles and the bulk. The nanoparticles were synthesized with hydrothermal treatment of an appropriate suspension of Ba and Fe hydroxides in the presence of a large excess of OH{sup -}. The ultrafine nanoparticles were formed in a discoid shape, {approx}10 nm wide and only {approx}3 nm thick, comparable to the size of the hexagonal unit cell in the c-direction.more » The HRTEM image analysis confirmed the hexaferrite structure, whereas EDXS showed the composition matching the BaFe{sub 12}O{sub 19} formula. XAFS and MS analyses showed considerable disorder of the structure, most probably responsible for the low magnetization. - Graphical abstract: Left: HREM image of an ultrafine Ba-hexaferrite nanoparticle (inset: TEM image of the nanoparticles); Right: the experimental HRTEM image is compared with calculated image and corresponding atomic model. Highlights: Black-Right-Pointing-Pointer Crystal structure of ultrafine Ba-hexaferrite (BaFe{sub 12}O{sub 19}) nanoparticles was compared to the structure of the bulk. Black-Right-Pointing-Pointer Thickness the discoid nanoparticles was comparable to the size of the hexagonal unit cell in the c-direction. Black-Right-Pointing-Pointer Considerable disorder of the nanoparticles' structure is most probably responsible for their low magnetization.« less

Does Compare-Contrast Text Structure Help Students with Autism Spectrum Disorder Comprehend Science Text?

ERIC Educational Resources Information Center

Carnahan, Christina R.; Williamson, Pamela S.

2013-01-01

Using a single-subject reversal design, this study evaluated the use of a compare-contrast strategy on the ability of students with autism spectrum disorder to comprehend science text. Three middle school students with high-functioning autism and their teacher participated in this study. A content analysis comparing the number of meaning units in…

Evaluation of solution procedures for material and/or geometrically nonlinear structural analysis by the direct stiffness method.

NASA Technical Reports Server (NTRS)

Stricklin, J. A.; Haisler, W. E.; Von Riesemann, W. A.

1972-01-01

This paper presents an assessment of the solution procedures available for the analysis of inelastic and/or large deflection structural behavior. A literature survey is given which summarized the contribution of other researchers in the analysis of structural problems exhibiting material nonlinearities and combined geometric-material nonlinearities. Attention is focused at evaluating the available computation and solution techniques. Each of the solution techniques is developed from a common equation of equilibrium in terms of pseudo forces. The solution procedures are applied to circular plates and shells of revolution in an attempt to compare and evaluate each with respect to computational accuracy, economy, and efficiency. Based on the numerical studies, observations and comments are made with regard to the accuracy and economy of each solution technique.

Structured population dynamics: continuous size and discontinuous stage structures.

PubMed

Buffoni, Giuseppe; Pasquali, Sara

2007-04-01

A nonlinear stochastic model for the dynamics of a population with either a continuous size structure or a discontinuous stage structure is formulated in the Eulerian formalism. It takes into account dispersion effects due to stochastic variability of the development process of the individuals. The discrete equations of the numerical approximation are derived, and an analysis of the existence and stability of the equilibrium states is performed. An application to a copepod population is illustrated; numerical results of Eulerian and Lagrangian models are compared.

Structural characterization of Brachypodium genome and its syntenic relationship with rice and wheat

USDA-ARS?s Scientific Manuscript database

Brachypodium distachyon (Brachypodium) has been recently recognized as an emerging model system for both comparative and functional genomics in grass species. In this study, 55,221 repeat masked Brachypodium BAC end sequences (BES) were used for comparative analysis against the 12 rice pseudomolecul...

THE MASS MEDIA AS AN EDUCATIONAL INSTITUTION.

ERIC Educational Resources Information Center

GANS, HERBERT J.

THE TEACHING AND LEARNING PROVIDED BY BOTH THE MASS MEDIA AND THE SCHOOLS SHOULD BE ANALYZED. THIS RESEARCH WOULD CONCENTRATE ON NETWORK TELEVISION AND THE URBAN AND SUBURBAN LOWER MIDDLE CLASS SCHOOLS AND COMPARE THEIR SUCCESS AS EDUCATIONAL INSTITUTIONS. THE ANALYSIS COULD COMPARE THE STRUCTURES OF THESE INSTITUTIONS AND THEIR FUNCTIONS AND…

Human cytosolic glutathione-S-transferases: quantitative analysis of expression, comparative analysis of structures and inhibition strategies of isozymes involved in drug resistance.

PubMed

Mohana, Krishnamoorthy; Achary, Anant

2017-08-01

Glutathione-S-transferase (GST) inhibition is a strategy to overcome drug resistance. Several isoforms of human GSTs are present and they are expressed in almost all the organs. Specific expression levels of GSTs in various organs are collected from the human transcriptome data and analysis of the organ-specific expression of GST isoforms is carried out. The variations in the level of expressions of GST isoforms are statistically significant. The GST expression differs in diseased conditions as reported by many investigators and some of the isoforms of GSTs are disease markers or drug targets. Structure analysis of various isoforms is carried out and literature mining has been performed to identify the differences in the active sites of the GSTs. The xenobiotic binding H site is classified into H1, H2, and H3 and the differences in the amino acid composition, the hydrophobicity and other structural features of H site of GSTs are discussed. The existing inhibition strategies are compared. The advent of rational drug design, mechanism-based inhibition strategies, availability of high-throughput screening, target specific, and selective inhibition of GST isoforms involved in drug resistance could be achieved for the reversal of drug resistance and aid in the treatment of diseases.

Construction of phylogenetic trees by kernel-based comparative analysis of metabolic networks.

PubMed

Oh, S June; Joung, Je-Gun; Chang, Jeong-Ho; Zhang, Byoung-Tak

2006-06-06

To infer the tree of life requires knowledge of the common characteristics of each species descended from a common ancestor as the measuring criteria and a method to calculate the distance between the resulting values of each measure. Conventional phylogenetic analysis based on genomic sequences provides information about the genetic relationships between different organisms. In contrast, comparative analysis of metabolic pathways in different organisms can yield insights into their functional relationships under different physiological conditions. However, evaluating the similarities or differences between metabolic networks is a computationally challenging problem, and systematic methods of doing this are desirable. Here we introduce a graph-kernel method for computing the similarity between metabolic networks in polynomial time, and use it to profile metabolic pathways and to construct phylogenetic trees. To compare the structures of metabolic networks in organisms, we adopted the exponential graph kernel, which is a kernel-based approach with a labeled graph that includes a label matrix and an adjacency matrix. To construct the phylogenetic trees, we used an unweighted pair-group method with arithmetic mean, i.e., a hierarchical clustering algorithm. We applied the kernel-based network profiling method in a comparative analysis of nine carbohydrate metabolic networks from 81 biological species encompassing Archaea, Eukaryota, and Eubacteria. The resulting phylogenetic hierarchies generally support the tripartite scheme of three domains rather than the two domains of prokaryotes and eukaryotes. By combining the kernel machines with metabolic information, the method infers the context of biosphere development that covers physiological events required for adaptation by genetic reconstruction. The results show that one may obtain a global view of the tree of life by comparing the metabolic pathway structures using meta-level information rather than sequence information. This method may yield further information about biological evolution, such as the history of horizontal transfer of each gene, by studying the detailed structure of the phylogenetic tree constructed by the kernel-based method.

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

Towards Effective Clustering Techniques for the Analysis of Electric Power Grids

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

Hogan, Emilie A.; Cotilla Sanchez, Jose E.; Halappanavar, Mahantesh

2013-11-30

Clustering is an important data analysis technique with numerous applications in the analysis of electric power grids. Standard clustering techniques are oblivious to the rich structural and dynamic information available for power grids. Therefore, by exploiting the inherent topological and electrical structure in the power grid data, we propose new methods for clustering with applications to model reduction, locational marginal pricing, phasor measurement unit (PMU or synchrophasor) placement, and power system protection. We focus our attention on model reduction for analysis based on time-series information from synchrophasor measurement devices, and spectral techniques for clustering. By comparing different clustering techniques onmore » two instances of realistic power grids we show that the solutions are related and therefore one could leverage that relationship for a computational advantage. Thus, by contrasting different clustering techniques we make a case for exploiting structure inherent in the data with implications for several domains including power systems.« less

Age-structured mark-recapture analysis: A virtual-population-analysis-based model for analyzing age-structured capture-recapture data

USGS Publications Warehouse

Coggins, L.G.; Pine, William E.; Walters, C.J.; Martell, S.J.D.

2006-01-01

We present a new model to estimate capture probabilities, survival, abundance, and recruitment using traditional Jolly-Seber capture-recapture methods within a standard fisheries virtual population analysis framework. This approach compares the numbers of marked and unmarked fish at age captured in each year of sampling with predictions based on estimated vulnerabilities and abundance in a likelihood function. Recruitment to the earliest age at which fish can be tagged is estimated by using a virtual population analysis method to back-calculate the expected numbers of unmarked fish at risk of capture. By using information from both marked and unmarked animals in a standard fisheries age structure framework, this approach is well suited to the sparse data situations common in long-term capture-recapture programs with variable sampling effort. ?? Copyright by the American Fisheries Society 2006.

High-performance equation solvers and their impact on finite element analysis

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Knight, Norman F., Jr.; Davis, D. Dale, Jr.

1990-01-01

The role of equation solvers in modern structural analysis software is described. Direct and iterative equation solvers which exploit vectorization on modern high-performance computer systems are described and compared. The direct solvers are two Cholesky factorization methods. The first method utilizes a novel variable-band data storage format to achieve very high computation rates and the second method uses a sparse data storage format designed to reduce the number of operations. The iterative solvers are preconditioned conjugate gradient methods. Two different preconditioners are included; the first uses a diagonal matrix storage scheme to achieve high computation rates and the second requires a sparse data storage scheme and converges to the solution in fewer iterations that the first. The impact of using all of the equation solvers in a common structural analysis software system is demonstrated by solving several representative structural analysis problems.

High-performance equation solvers and their impact on finite element analysis

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Knight, Norman F., Jr.; Davis, D. D., Jr.

1992-01-01

The role of equation solvers in modern structural analysis software is described. Direct and iterative equation solvers which exploit vectorization on modern high-performance computer systems are described and compared. The direct solvers are two Cholesky factorization methods. The first method utilizes a novel variable-band data storage format to achieve very high computation rates and the second method uses a sparse data storage format designed to reduce the number od operations. The iterative solvers are preconditioned conjugate gradient methods. Two different preconditioners are included; the first uses a diagonal matrix storage scheme to achieve high computation rates and the second requires a sparse data storage scheme and converges to the solution in fewer iterations that the first. The impact of using all of the equation solvers in a common structural analysis software system is demonstrated by solving several representative structural analysis problems.

COI Structural Analysis Presentation

NASA Technical Reports Server (NTRS)

Cline, Todd; Stahl, H. Philip (Technical Monitor)

2001-01-01

This report discusses the structural analysis of the Next Generation Space Telescope Mirror System Demonstrator (NMSD) developed by Composite Optics Incorporated (COI) in support of the Next Generation Space Telescope (NGST) project. The mirror was submitted to Marshall Space Flight Center (MSFC) for cryogenic testing and evaluation. Once at MSFC, the mirror was lowered to approximately 40 K and the optical surface distortions were measured. Alongside this experiment, an analytical model was developed and used to compare to the test results. A NASTRAN finite element model was provided by COI and a thermal model was developed from it. Using the thermal model, steady state nodal temperatures were calculated based on the predicted environment of the large cryogenic test chamber at MSFC. This temperature distribution was applied in the structural analysis to solve for the deflections of the optical surface. Finally, these deflections were submitted for optical analysis and comparison to the interferometer test data.

Small-angle X-Ray analysis of macromolecular structure: the structure of protein NS2 (NEP) in solution

NASA Astrophysics Data System (ADS)

Shtykova, E. V.; Bogacheva, E. N.; Dadinova, L. A.; Jeffries, C. M.; Fedorova, N. V.; Golovko, A. O.; Baratova, L. A.; Batishchev, O. V.

2017-11-01

A complex structural analysis of nuclear export protein NS2 (NEP) of influenza virus A has been performed using bioinformatics predictive methods and small-angle X-ray scattering data. The behavior of NEP molecules in a solution (their aggregation, oligomerization, and dissociation, depending on the buffer composition) has been investigated. It was shown that stable associates are formed even in a conventional aqueous salt solution at physiological pH value. For the first time we have managed to get NEP dimers in solution, to analyze their structure, and to compare the models obtained using the method of the molecular tectonics with the spatial protein structure predicted by us using the bioinformatics methods. The results of the study provide a new insight into the structural features of nuclear export protein NS2 (NEP) of the influenza virus A, which is very important for viral infection development.

Gravity and thermal deformation of large primary mirror in space telescope

NASA Astrophysics Data System (ADS)

Wang, Xin; Jiang, Shouwang; Wan, Jinlong; Shu, Rong

2016-10-01

The technology of integrating mechanical FEA analysis with optical estimation is essential to simulate the gravity deformation of large main mirror and the thermal deformation such as static or temperature gradient of optical structure. We present the simulation results of FEA analysis, data processing, and image performance. Three kinds of support structure for large primary mirror which have the center holding structure, the edge glue fixation and back support, are designed and compared to get the optimal gravity deformation. Variable mirror materials Zerodur/SiC are chosen and analyzed to obtain the small thermal gradient distortion. The simulation accuracy is dependent on FEA mesh quality, the load definition of structure, the fitting error from discrete data to smooth surface. A main mirror with 1m diameter is designed as an example. The appropriate structure material to match mirror, the central supporting structure, and the key aspects of FEA simulation are optimized for space application.

Structural vibration passive control and economic analysis of a high-rise building in Beijing

NASA Astrophysics Data System (ADS)

Chen, Yongqi; Cao, Tiezhu; Ma, Liangzhe; Luo, Chaoying

2009-12-01

Performance analysis of the Pangu Plaza under earthquake and wind loads is described in this paper. The plaza is a 39-story steel high-rise building, 191 m high, located in Beijing close to the 2008 Olympic main stadium. It has both fluid viscous dampers (FVDs) and buckling restrained braces or unbonded brace (BRB or UBB) installed. A repeated iteration procedure in its design and analysis was adopted for optimization. Results from the seismic response analysis in the horizontal and vertical directions show that the FVDs are highly effective in reducing the response of both the main structure and the secondary system. A comparative analysis of structural seismic performance and economic impact was conducted using traditional methods, i.e., increased size of steel columns and beams and/or use of an increased number of seismic braces versus using FVD. Both the structural response and economic analysis show that using FVD to absorb seismic energy not only satisfies the Chinese seismic design code for a “rare” earthquake, but is also the most economical way to improve seismic performance both for one-time direct investment and long term maintenance.

Nonionic and zwitterionic forms of glycylglycylarginine as a part of spider silk protein: Spectroscopic and theoretical study

NASA Astrophysics Data System (ADS)

Arı, Hatice; Özpozan, Talat

2016-01-01

Glycylglycylarginine as a part of GGX motif of spider silk spidroin in nonionic (non-GGR) and zwitterionic (zwt-GGR) forms have been examined from theoretical and spectroscopic aspects. The most stable conformational isomers of non-GGR and zwt-GGR were obtained through relaxed scan using the DFT/B3LYP with 6-31G(d) basis set. Nonionic and zwitterionic forms of 310-helix structures of GGR have also been calculated and compared with the most stable conformers obtained as a result of conformer analysis of isolated three peptide structures. This comparison should give an idea about the stability contribution of intermolecular interactions between the 310-helix structured peptide chains. O3LYP and B3PW91 hybrid functionals beside B3LYP have also been used for further calculations of geometry optimization, vibrational analysis, Natural Bond Orbital (NBO) analysis, HOMO-LUMO analysis and hydrogen bonding analysis. Normal Mode Analysis was carried through Potential Energy Distribution (PED) calculations by means of VEDA4 program package. IR and Raman spectra of GGR have also been used to relate the spectroscopic data obtained to electronic and structural features.

Nonionic and zwitterionic forms of glycylglycylarginine as a part of spider silk protein: Spectroscopic and theoretical study.

PubMed

Arı, Hatice; Özpozan, Talat

2016-01-05

Glycylglycylarginine as a part of GGX motif of spider silk spidroin in nonionic (non-GGR) and zwitterionic (zwt-GGR) forms have been examined from theoretical and spectroscopic aspects. The most stable conformational isomers of non-GGR and zwt-GGR were obtained through relaxed scan using the DFT/B3LYP with 6-31G(d) basis set. Nonionic and zwitterionic forms of 310-helix structures of GGR have also been calculated and compared with the most stable conformers obtained as a result of conformer analysis of isolated three peptide structures. This comparison should give an idea about the stability contribution of intermolecular interactions between the 310-helix structured peptide chains. O3LYP and B3PW91 hybrid functionals beside B3LYP have also been used for further calculations of geometry optimization, vibrational analysis, Natural Bond Orbital (NBO) analysis, HOMO-LUMO analysis and hydrogen bonding analysis. Normal Mode Analysis was carried through Potential Energy Distribution (PED) calculations by means of VEDA4 program package. IR and Raman spectra of GGR have also been used to relate the spectroscopic data obtained to electronic and structural features. Copyright © 2015 Elsevier B.V. All rights reserved.

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.

Dynamic analysis of a 5-MW tripod offshore wind turbine by considering fluid-structure interaction

NASA Astrophysics Data System (ADS)

Zhang, Li-wei; Li, Xin

2017-10-01

Fixed offshore wind turbines usually have large underwater supporting structures. The fluid influences the dynamic characteristics of the structure system. The dynamic model of a 5-MW tripod offshore wind turbine considering the pile-soil system and fluid structure interaction (FSI) is established, and the structural modes in air and in water are obtained by use of ANSYS. By comparing low-order natural frequencies and mode shapes, the influence of sea water on the free vibration characteristics of offshore wind turbine is analyzed. On basis of the above work, seismic responses under excitation by El-Centro waves are calculated by the time-history analysis method. The results reveal that the dynamic responses such as the lateral displacement of the foundation and the section bending moment of the tubular piles increase substantially under the influence of the added-mass and hydrodynamic pressure of sea water. The method and conclusions presented in this paper can provide a theoretical reference for structure design and analysis of offshore wind turbines fixed in deep seawater.

Comparative Study of the Three-Dimensional Thermodynamical Structure of the Inner Corona of Solar Minimum Carrington Rotations 1915 and 2081

NASA Astrophysics Data System (ADS)

Lloveras, Diego G.; Vásquez, Alberto M.; Nuevo, Federico A.; Frazin, Richard A.

2017-10-01

Using differential emission measure tomography (DEMT) based on time series of EUV images, we carry out a quantitative comparative analysis of the three-dimensional (3D) structure of the electron density and temperature of the inner corona (r<1.25 R_{⊙}) between two specific rotations selected from the last two solar minima, namely Carrington Rotations (CR)1915 and CR-2081. The analysis places error bars on the results because of the systematic uncertainty of the sources. While the results for CR-2081 are characterized by a remarkable north-south symmetry, the southern hemisphere for CR-1915 exhibits higher densities and temperatures than the northern hemisphere. The core region of the streamer belt in both rotations is found to be populated by structures whose temperature decreases with height (called "down loops" in our previous articles). They are characterized by plasma β≳1, and may be the result of the efficient dissipation of Alfvén waves at low coronal heights. The comparative analysis reveals that the low latitudes of the equatorial streamer belt of CR-1915 exhibit higher densities than for CR-2081. This cannot be explained by the systematic uncertainties. In addition, the southern hemisphere of the streamer belt of CR-1915 is characterized by higher temperatures and density scale heights than for CR-2081. On the other hand, the coronal hole region of CR-1915 shows lower temperatures than for CR-2081. The reported differences are in the range ≈ 10 - 25%, depending on the specific physical quantity and region that is compared, as fully detailed in the analysis. For other regions and/or physical quantities, the uncertainties do not allow assessing the thermodynamical differences between the two rotations. Future investigation will involve a DEMT analysis of other Carrington rotations selected from both epochs, and also a comparison of their tomographic reconstructions with magnetohydrodynamical simulations of the inner corona.

A Conjoint Analysis of Voice Over IP Attributes.

ERIC Educational Resources Information Center

Zubey, Michael L.; Wagner, William; Otto, James R.

2002-01-01

Managers need to understand the tradeoffs associated with voice over Internet protocol (VoIP) networks as compared to the Public Switched Telephone Network (PSTN). This article measures the preference structures between IP telephony and PSTN services using conjoint analysis. The purpose is to suggest VoIP technology attributes that best meet…

A Study of Item Bias for Attitudinal Measurement Using Maximum Likelihood Factor Analysis.

ERIC Educational Resources Information Center

Mayberry, Paul W.

A technique for detecting item bias that is responsive to attitudinal measurement considerations is a maximum likelihood factor analysis procedure comparing multivariate factor structures across various subpopulations, often referred to as SIFASP. The SIFASP technique allows for factorial model comparisons in the testing of various hypotheses…

Microhabitat analysis using radiotelemetry locations and polytomous logistic regression

Treesearch

Malcolm P. North; Joel H. Reynolds

1996-01-01

Microhabitat analyses often use discriminant function analysis (DFA) to compare vegetation structures or environmental conditions between sites classified by a study animal's presence or absence. These presence/absence studies make questionable assumptions about the habitat value of the comparison sites and the microhabitat data often violate the DFA's...

Icons as Visual Forum of Knowledge Representation on the World Wide Web: A Semiotic Analysis.

ERIC Educational Resources Information Center

Ma, Yan; Diodato, Virgil

1999-01-01

Compares the indexing structure of icons with principles used for traditional indexing. A sample of 15 library homepages was drawn from the total population of the United States library homepages. Semiotics theory was used to study the icons. Analysis and results are outlined. (AEF)

The Responses of Tenth-Grade Students to Four Novels.

ERIC Educational Resources Information Center

Grindstaff, Faye Louise

To compare structural analysis with experiential reflective analysis as teaching techniques for literature, a study was made of the written responses of three groups of typical 10th-graders after reading four modern novels--Paul Annixter's "Swiftwater," Ray Bradbury's "Fahrenheit 451," Bel Kaufman's "Up the Down Staircase," and John…

A Rational Analysis of Rule-Based Concept Learning

ERIC Educational Resources Information Center

Goodman, Noah D.; Tenenbaum, Joshua B.; Feldman, Jacob; Griffiths, Thomas L.

2008-01-01

This article proposes a new model of human concept learning that provides a rational analysis of learning feature-based concepts. This model is built upon Bayesian inference for a grammatically structured hypothesis space--a concept language of logical rules. This article compares the model predictions to human generalization judgments in several…

Comparative analysis of three-dimensional structures of homodimers of uridine phosphorylase from Salmonella typhimurium in the unligated state and in a complex with potassium ion

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

Lashkov, A. A.; Zhukhlistova, N. E.; Gabdulkhakov, A. G.

2009-03-15

The spatial organization of the homodimer of unligated uridine phosphorylase from Salmonella typhimurium (St UPh) was determined with high accuracy. The structure was refined at 1.80 A resolution to R{sub work} = 16.1% and R{sub free} = 20.0%. The rms deviations for the bond lengths, bond angles, and chiral angles are 0.006 A, 1.042{sup o}, and 0.071{sup o}, respectively. The coordinate error estimated by the Luzzati plot is 0.166 A. The coordinate error based on the maximum likelihood is 0.199 A. A comparative analysis of the spatial organization of the homodimer in two independently refined structures and the structure ofmore » the homodimer St UPh in the complex with a K{sup +} ion was performed. The substrate-binding sites in the homodimers StUPhs in the unligated state were found to act asynchronously. In the presence of a potassium ion, the three-dimensional structures of the subunits in the homodimer are virtually identical, which is apparently of importance for the synchronous action of both substrate-binding sites. The atomic coordinates of the refined structure of the homodimer and structure factors have been deposited in the Protein Data Bank (PDB ID code 3DPS).« less

A Fiscal Analysis of Fixed-Amount Federal Grants-in-Aid: The Case of Vocational Education.

ERIC Educational Resources Information Center

Patterson, Philip D., Jr.

A fiscal analysis of fixed-amount Federal grant programs using the criteria of effectiveness, efficiency, and equity is essential to an evaluation of the Federal grant structure. Measures of program need should be current, comparable over time and among states, and subjected to sensitivity analysis so that future grants can be estimated. Income…

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.

Static aeroelastic analysis of wings using Euler/Navier-Stokes equations coupled with improved wing-box finite element structures

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.; MacMurdy, Dale E.; Kapania, Rakesh K.

1994-01-01

Strong interactions between flow about an aircraft wing and the wing structure can result in aeroelastic phenomena which significantly impact aircraft performance. Time-accurate methods for solving the unsteady Navier-Stokes equations have matured to the point where reliable results can be obtained with reasonable computational costs for complex non-linear flows with shock waves, vortices and separations. The ability to combine such a flow solver with a general finite element structural model is key to an aeroelastic analysis in these flows. Earlier work involved time-accurate integration of modal structural models based on plate elements. A finite element model was developed to handle three-dimensional wing boxes, and incorporated into the flow solver without the need for modal analysis. Static condensation is performed on the structural model to reduce the structural degrees of freedom for the aeroelastic analysis. Direct incorporation of the finite element wing-box structural model with the flow solver requires finding adequate methods for transferring aerodynamic pressures to the structural grid and returning deflections to the aerodynamic grid. Several schemes were explored for handling the grid-to-grid transfer of information. The complex, built-up nature of the wing-box complicated this transfer. Aeroelastic calculations for a sample wing in transonic flow comparing various simple transfer schemes are presented and discussed.

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

PubMed

Shang, Jun; Sun, Huiyong; Liu, Hui; Chen, Fu; Tian, Sheng; Pan, Peichen; Li, Dan; Kong, Dexin; Hou, Tingjun

2017-04-21

Large purchasable screening libraries of small molecules afforded by commercial vendors are indispensable sources for virtual screening (VS). Selecting an optimal screening library for a specific VS campaign is quite important to improve the success rates and avoid wasting resources in later experimental phases. Analysis of the structural features and molecular diversity for different screening libraries can provide valuable information to the decision making process when selecting screening libraries for VS. In this study, the structural features and scaffold diversity of eleven purchasable screening libraries and Traditional Chinese Medicine Compound Database (TCMCD) were analyzed and compared. Their scaffold diversity represented by the Murcko frameworks and Level 1 scaffolds was characterized by the scaffold counts and cumulative scaffold frequency plots, and visualized by Tree Maps and SAR Maps. The analysis demonstrates that, based on the standardized subsets with similar molecular weight distributions, Chembridge, ChemicalBlock, Mucle, TCMCD and VitasM are more structurally diverse than the others. Compared with all purchasable screening libraries, TCMCD has the highest structural complexity indeed but more conservative molecular scaffolds. Moreover, we found that some representative scaffolds were important components of drug candidates against different drug targets, such as kinases and guanosine-binding protein coupled receptors, and therefore the molecules containing pharmacologically important scaffolds found in screening libraries might be potential inhibitors against the relevant targets. This study may provide valuable perspective on which purchasable compound libraries are better for you to screen. Graphical abstract Selecting diverse compound libraries with scaffold analyses.

Creep Damage Analysis of a Lattice Truss Panel Structure

NASA Astrophysics Data System (ADS)

Jiang, Wenchun; Li, Shaohua; Luo, Yun; Xu, Shugen

2017-01-01

The creep failure for a lattice truss sandwich panel structure has been predicted by finite element method (FEM). The creep damage is calculated by three kinds of stresses: as-brazed residual stress, operating thermal stress and mechanical load. The creep damage at tensile and compressive loads have been calculated and compared. The creep rate calculated by FEM, Gibson-Ashby and Hodge-Dunand models have been compared. The results show that the creep failure is located at the fillet at both tensile and creep loads. The damage rate at the fillet at tensile load is 50 times as much as that at compressive load. The lattice truss panel structure has a better creep resistance to compressive load than tensile load, because the creep and stress triaxiality at the fillet has been decreased at compressive load. The maximum creep strain at the fillet and the equivalent creep strain of the panel structure increase with the increase of applied load. Compared with Gibson-Ashby model and Hodge-Dunand models, the modified Gibson-Ashby model has a good prediction result compared with FEM. However, a more accurate model considering the size effect of the structure still needs to be developed.

Data Intensive Analysis of Biomolecular Simulations

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

Straatsma, TP; Soares, Thereza A.

2007-12-01

The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just asmore » in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an efficient analysis framework for very large scale trajectories on massively parallel architectures, (2) the development of novel methodologies that allow automated detection of events in these very large data sets, and (3) the efficient comparative analysis of multiple trajectories. The goal of the presented work is the development of new algorithms that will allow biomolecular simulation studies to become an integral tool to address the challenges of post-genomic biological research. The strategy to deliver the required data intensive computing applications that can effectively deal with the volume of simulation data that will become available is based on taking advantage of the capabilities offered by the use of large globally addressable memory architectures. The first requirement is the design of a flexible underlying data structure for single large trajectories that will form an adaptable framework for a wide range of analysis capabilities. The typical approach to trajectory analysis is to sequentially process trajectories time frame by time frame. This is the implementation found in molecular simulation codes such as NWChem, and has been designed in this way to be able to run on workstation computers and other architectures with an aggregate amount of memory that would not allow entire trajectories to be held in core. The consequence of this approach is an I/O dominated solution that scales very poorly on parallel machines. We are currently using an approach of developing tools specifically intended for use on large scale machines with sufficient main memory that entire trajectories can be held in core. This greatly reduces the cost of I/O as trajectories are read only once during the analysis. In our current Data Intensive Analysis (DIANA) implementation, each processor determines and skips to the entry within the trajectory that typically will be available in multiple files and independently from all other processors read the appropriate frames.« less

Data Intensive Analysis of Biomolecular Simulations

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

Straatsma, TP

2008-03-01

The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just asmore » in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an efficient analysis framework for very large scale trajectories on massively parallel architectures, (2) the development of novel methodologies that allow automated detection of events in these very large data sets, and (3) the efficient comparative analysis of multiple trajectories. The goal of the presented work is the development of new algorithms that will allow biomolecular simulation studies to become an integral tool to address the challenges of post-genomic biological research. The strategy to deliver the required data intensive computing applications that can effectively deal with the volume of simulation data that will become available is based on taking advantage of the capabilities offered by the use of large globally addressable memory architectures. The first requirement is the design of a flexible underlying data structure for single large trajectories that will form an adaptable framework for a wide range of analysis capabilities. The typical approach to trajectory analysis is to sequentially process trajectories time frame by time frame. This is the implementation found in molecular simulation codes such as NWChem, and has been designed in this way to be able to run on workstation computers and other architectures with an aggregate amount of memory that would not allow entire trajectories to be held in core. The consequence of this approach is an I/O dominated solution that scales very poorly on parallel machines. We are currently using an approach of developing tools specifically intended for use on large scale machines with sufficient main memory that entire trajectories can be held in core. This greatly reduces the cost of I/O as trajectories are read only once during the analysis. In our current Data Intensive Analysis (DIANA) implementation, each processor determines and skips to the entry within the trajectory that typically will be available in multiple files and independently from all other processors read the appropriate frames.« less

Micromechanical analysis and design of an integrated thermal protection system for future space vehicles

NASA Astrophysics Data System (ADS)

Martinez, Oscar

Thermal protection systems (TPS) are the key features incorporated into a spacecraft's design to protect it from severe aerodynamic heating during high-speed travel through planetary atmospheres. The thermal protection system is the key technology that enables a spacecraft to be lightweight, fully reusable, and easily maintainable. Add-on TPS concepts have been used since the beginning of the space race. The Apollo space capsule used ablative TPS and the Space Shuttle Orbiter TPS technology consisted of ceramic tiles and blankets. Many problems arose from the add-on concept such as incompatibility, high maintenance costs, non-load bearing, and not being robust and operable. To make the spacecraft's TPS more reliable, robust, and efficient, we investigated Integral Thermal Protection System (ITPS) concept in which the load-bearing structure and the TPS are combined into one single component. The design of an ITPS was a challenging task, because the requirement of a load-bearing structure and a TPS are often conflicting. Finite element (FE) analysis is often the preferred method of choice for a structural analysis problem. However, as the structure becomes complex, the computational time and effort for an FE analysis increases. New structural analytical tools were developed, or available ones were modified, to perform a full structural analysis of the ITPS. With analytical tools, the designer is capable of obtaining quick and accurate results and has a good idea of the response of the structure without having to go to an FE analysis. A MATLABRTM code was developed to analytically determine performance metrics of the ITPS such as stresses, buckling, deflection, and other failure modes. The analytical models provide fast and accurate results that were within 5% difference from the FEM results. The optimization procedure usually performs 100 function evaluations for every design variable. Using the analytical models in the optimization procedure was a time saver, because the optimization time to reach an optimum design was reached in less than an hour, where as an FE optimization study would take hours to reach an optimum design. Corrugated-core structures were designed for ITPS applications with loads and boundary conditions similar to that of a Space Shuttle-like vehicle. Temperature, buckling, deflection and stress constraints were considered for the design and optimization process. An optimized design was achieved with consideration of all the constraints. The ITPS design obtained from the analytical solutions was lighter (4.38 lb/ft2) when compared to the ITPS design obtained from a finite element analysis (4.85 lb/ft 2). The ITPS boundary effects added local stresses and compressive loads to the top facesheet that was not able to be captured by the 2D plate solutions. The inability to fully capture the boundary effects lead to a lighter ITPS when compared to the FE solution. However, the ITPS can withstand substantially large mechanical loads when compared to the previous designs. Truss-core structures were found to be unsuitable as they could not withstand the large thermal gradients frequently encountered in ITPS applications.

Assessment of Material Solutions of Multi-level Garage Structure Within Integrated Life Cycle Design Process

NASA Astrophysics Data System (ADS)

Wałach, Daniel; Sagan, Joanna; Gicala, Magdalena

2017-10-01

The paper presents an environmental and economic analysis of the material solutions of multi-level garage. The construction project approach considered reinforced concrete structure under conditions of use of ordinary concrete and high-performance concrete (HPC). Using of HPC allowed to significant reduction of reinforcement steel, mainly in compression elements (columns) in the construction of the object. The analysis includes elements of the methodology of integrated lice cycle design (ILCD). By making multi-criteria analysis based on established weight of the economic and environmental parameters, three solutions have been evaluated and compared within phase of material production (information modules A1-A3).

Molecular design of anticancer drug leads based on three-dimensional quantitative structure-activity relationship.

PubMed

Huang, Xiao Yan; Shan, Zhi Jie; Zhai, Hong Lin; Li, Li Na; Zhang, Xiao Yun

2011-08-22

Heat shock protein 90 (Hsp90) takes part in the developments of several cancers. Novobiocin, a typically C-terminal inhibitor for Hsp90, will probably used as an important anticancer drug in the future. In this work, we explored the valuable information and designed new novobiocin derivatives based on a three-dimensional quantitative structure-activity relationship (3D QSAR). The comparative molecular field analysis and comparative molecular similarity indices analysis models with high predictive capability were established, and their reliabilities are supported by the statistical parameters. Based on the several important influence factors obtained from these models, six new novobiocin derivatives with higher inhibitory activities were designed and confirmed by the molecular simulation with our models, which provide the potential anticancer drug leads for further research.

Truss topology optimization with simultaneous analysis and design

NASA Technical Reports Server (NTRS)

Sankaranarayanan, S.; Haftka, Raphael T.; Kapania, Rakesh K.

1992-01-01

Strategies for topology optimization of trusses for minimum weight subject to stress and displacement constraints by Simultaneous Analysis and Design (SAND) are considered. The ground structure approach is used. A penalty function formulation of SAND is compared with an augmented Lagrangian formulation. The efficiency of SAND in handling combinations of general constraints is tested. A strategy for obtaining an optimal topology by minimizing the compliance of the truss is compared with a direct weight minimization solution to satisfy stress and displacement constraints. It is shown that for some problems, starting from the ground structure and using SAND is better than starting from a minimum compliance topology design and optimizing only the cross sections for minimum weight under stress and displacement constraints. A member elimination strategy to save CPU time is discussed.

Modeling corrosion inhibition efficacy of small organic molecules as non-toxic chromate alternatives using comparative molecular surface analysis (CoMSA).

PubMed

Fernandez, Michael; Breedon, Michael; Cole, Ivan S; Barnard, Amanda S

2016-10-01

Traditionally many structural alloys are protected by primer coatings loaded with corrosion inhibiting additives. Strontium Chromate (or other chromates) have been shown to be extremely effectively inhibitors, and find extensive use in protective primer formulations. Unfortunately, hexavalent chromium which imbues these coatings with their corrosion inhibiting properties is also highly toxic, and their use is being increasingly restricted by legislation. In this work we explore a novel tridimensional Quantitative-Structure Property Relationship (3D-QSPR) approach, comparative molecular surface analysis (CoMSA), which was developed to recognize "high-performing" corrosion inhibitor candidates from the distributions of electronegativity, polarizability and van der Waals volume on the molecular surfaces of 28 small organic molecules. Multivariate statistical analysis identified five prototypes molecules, which are capable of explaining 71% of the variance within the inhibitor data set; whilst a further five molecules were also identified as archetypes, describing 75% of data variance. All active corrosion inhibitors, at a 80% threshold, were successfully recognized by the CoMSA model with adequate specificity and precision higher than 70% and 60%, respectively. The model was also capable of identifying structural patterns, that revealed reasonable starting points for where structural changes may augment corrosion inhibition efficacy. The presented methodology can be applied to other functional molecules and extended to cover structure-activity studies in a diverse range of areas such as drug design and novel material discovery. Copyright © 2016 Elsevier Ltd. All rights reserved.

Evaluation of Fish Passage at Whitewater Parks Using 2D and 3D Hydraulic Modeling

NASA Astrophysics Data System (ADS)

Hardee, T.; Nelson, P. A.; Kondratieff, M.; Bledsoe, B. P.

2016-12-01

In-stream whitewater parks (WWPs) are increasingly popular recreational amenities that typically create waves by constricting flow through a chute to increase velocities and form a hydraulic jump. However, the hydraulic conditions these structures create can limit longitudinal habitat connectivity and potentially inhibit upstream fish migration, especially of native fishes. An improved understanding of the fundamental hydraulic processes and potential environmental effects of whitewater parks is needed to inform management decisions about Recreational In-Channel Diversions (RICDs). Here, we use hydraulic models to compute a continuous and spatially explicit description of velocity and depth along potential fish swimming paths in the flow field, and the ensemble of potential paths are compared to fish swimming performance data to predict fish passage via logistic regression analysis. While 3d models have been shown to accurately predict trout movement through WWP structures, 2d methods can provide a more cost-effective and manager-friendly approach to assessing the effects of similar hydraulic structures on fish passage when 3d analysis in not feasible. Here, we use 2d models to examine the hydraulics in several WWP structures on the North Fork of the St. Vrain River at Lyons, Colorado, and we compare these model results to fish passage predictions from a 3d model. Our analysis establishes a foundation for a practical, transferable and physically-rigorous 2d modeling approach for mechanistically evaluating the effects of hydraulic structures on fish passage.

Electrochemical performance of a thermally rearranged polybenzoxazole nanocomposite membrane as a separator for lithium-ion batteries at elevated temperature

NASA Astrophysics Data System (ADS)

Lee, Moon Joo; Hwang, Jun-Ki; Kim, Ji Hoon; Lim, Hyung-Seok; Sun, Yang-Kook; Suh, Kyung-Do; Lee, Young Moo

2016-02-01

Shape-tunable hydroxyl copolyimide (HPI) nanoparticles are fabricated by a re-precipitation method and are coated onto electrospun HPI membranes, followed by heat treatment to prepare thermally rearranged polybenzoxazole (TR-PBO) composite membranes. The morphology of HPI nanoparticles consisted of sphere and sea-squirt structures, which is controlled by changing the concentration of the stabilizer. The morphological characteristics of TR-PBO nanoparticles convert from HPI nanoparticles by heat treatment and their composite membranes is confirmed by scanning electron microscopy (SEM), transmission electron microscopy (TEM), infrared spectroscopy (ATR-IR), thermogravimetric analysis (TGA) analysis, and contact angle measurements. TGA and DSC measurements confirm the excellent thermal stability compared to Celgard, a commercial PP separator for lithium-ion batteries (LIBs). Further, TR-PBO nano-composite membranes used in coin-cell type LIBs as a separator show excellent high power density performance as compared to Celgard. This is due to the fact that sea-squirt structured nanoparticles have better electrochemical properties than sphere structured nanoparticles at high temperature.

Technical and Economic Assessment of Span-Loaded Cargo Aircraft Concepts

NASA Technical Reports Server (NTRS)

1976-01-01

The benefits are assessed of span distributed loading concepts as applied to future commercial air cargo operations. A two phased program is used to perform this assessment. The first phase consists of selected parametric studies to define significant configuration, performance, and economic trends. The second phase consists of more detailed engineering design, analysis, and economic evaluations to define the technical and economic feasibility of a selected spanloader design. A conventional all-cargo aircraft of comparable technology and size is used as a comparator system. The technical feasibility is demonstrated of the spanloader concept with no new major technology efforts required to implement the system. However, certain high pay-off technologies such as winglets, airfoil design, and advanced structural materials and manufacturing techniques need refinement and definition prior to application. In addition, further structural design analysis could establish the techniques and criteria necessary to fully capitalize upon the high degree of structural commonality and simplicity inherent in the spanloader concept.

Do neural tube defects lead to structural alterations in the human bladder?

PubMed

Pazos, Helena M F; Lobo, Márcio Luiz de P; Costa, Waldemar S; Sampaio, Francisco J B; Cardoso, Luis Eduardo M; Favorito, Luciano Alves

2011-05-01

Anencephaly is the most severe neural tube defect in human fetuses. The objective of this paper is to analyze the structure of the bladder in anencephalic human fetuses. We studied 40 bladders of normal human fetuses (20 male and 20 female, aged 14 to 23 WPC) and 12 bladders of anencephalic fetuses (5 male and 7 female, aged 18 to 22 WPC). The bladders were removed and processed by routine histological techniques. Stereological analysis of collagen, elastic system fibers and smooth muscle was performed in sections. Data were expressed as volumetric density (Vv-%). The images were captured with Olympus BX51 microscopy and Olympus DP70 camera. The stereological analysis was done using the software Image Pro and Image J. For biochemical analysis, samples were fixed in acetone, and collagen concentrations were expressed as micrograms of hydroxyproline per mg of dry tissue. Means were statistically compared using the unpaired t-test (p<0.05). We observed a significant increase (p<0.0001) in the Vv of collagen in the bladders of anencephalic fetuses (69.71%) when compared to normal fetuses (52.74%), and a significant decrease (p<0.0001) in the Vv of smooth muscle cells in the bladders of anencephalic fetuses (23.96%) when compared to normal fetuses (38.35%). The biochemical analyses showed a higher concentration of total collagen in the bladders of anencephalic fetuses (37354 µg/mg) when compared to normal fetuses (48117 µg/mg, p<0.02). The structural alterations of the bladder found in this study may suggest the existence of functional alterations in the bladder of anencephalic human fetuses.

Mapping healthcare systems: a policy relevant analytic tool

PubMed Central

Sekhri Feachem, Neelam; Afshar, Ariana; Pruett, Cristina; Avanceña, Anton L.V.

2017-01-01

Abstract Background In the past decade, an international consensus on the value of well-functioning systems has driven considerable health systems research. This research falls into two broad categories. The first provides conceptual frameworks that take complex healthcare systems and create simplified constructs of interactions and functions. The second focuses on granular inputs and outputs. This paper presents a novel translational mapping tool – the University of California, San Francisco mapping tool (the Tool) - which bridges the gap between these two areas of research, creating a platform for multi-country comparative analysis. Methods Using the Murray-Frenk framework, we create a macro-level representation of a country's structure, focusing on how it finances and delivers healthcare. The map visually depicts the fundamental policy questions in healthcare system design: funding sources and amount spent through each source, purchasers, populations covered, provider categories; and the relationship between these entities. Results We use the Tool to provide a macro-level comparative analysis of the structure of India's and Thailand's healthcare systems. Conclusions As part of the systems strengthening arsenal, the Tool can stimulate debate about the merits and consequences of different healthcare systems structural designs, using a common framework that fosters multi-country comparative analyses. PMID:28541518

Quantifying the relationship between sequence and three-dimensional structure conservation in RNA

PubMed Central

2010-01-01

Background In recent years, the number of available RNA structures has rapidly grown reflecting the increased interest on RNA biology. Similarly to the studies carried out two decades ago for proteins, which gave the fundamental grounds for developing comparative protein structure prediction methods, we are now able to quantify the relationship between sequence and structure conservation in RNA. Results Here we introduce an all-against-all sequence- and three-dimensional (3D) structure-based comparison of a representative set of RNA structures, which have allowed us to quantitatively confirm that: (i) there is a measurable relationship between sequence and structure conservation that weakens for alignments resulting in below 60% sequence identity, (ii) evolution tends to conserve more RNA structure than sequence, and (iii) there is a twilight zone for RNA homology detection. Discussion The computational analysis here presented quantitatively describes the relationship between sequence and structure for RNA molecules and defines a twilight zone region for detecting RNA homology. Our work could represent the theoretical basis and limitations for future developments in comparative RNA 3D structure prediction. PMID:20550657

Comparison of various decentralised structural and cavity feedback control strategies for transmitted noise reduction through a double panel structure

NASA Astrophysics Data System (ADS)

Ho, Jen-Hsuan; Berkhoff, Arthur

2014-03-01

This paper compares various decentralised control strategies, including structural and acoustic actuator-sensor configuration designs, to reduce noise transmission through a double panel structure. The comparison is based on identical control stability indexes. The double panel structure consists of two panels with air in between and offers the advantages of low sound transmission at high frequencies, low heat transmission, and low weight. The double panel structure is widely used, such as in the aerospace and automotive industries. Nevertheless, the resonance of the cavity and the poor sound transmission loss at low frequencies limit the double panel's noise control performance. Applying active structural acoustic control to the panels or active noise control to the cavity has been discussed in many papers. In this paper, the resonances of the panels and the cavity are considered simultaneously to further reduce the transmitted noise through an existing double panel structure. A structural-acoustic coupled model is developed to investigate and compare various structural control and cavity control methods. Numerical analysis and real-time control results show that structural control should be applied to both panels. Three types of cavity control sources are presented and compared. The results indicate that the largest noise reduction is obtained with cavity control by loudspeakers modified to operate as incident pressure sources.

Basic Snow Pressure Calculation

NASA Astrophysics Data System (ADS)

Hao, Shouzhi; Su, Jian

2018-03-01

As extreme weather rising in recent years, the damage of large steel structures caused by weather is frequent in China. How to consider the effect of wind and snow loads on the structure in structural design has become the focus of attention in engineering field. In this paper, based on the serious snow disasters in recent years and comparative analysis of some scholars, influence factors and the value of the snow load, the probability model are described.

Effect of Isothermal Bainitic Quenching on Rail Steel Impact Strength and Wear Resistance

NASA Astrophysics Data System (ADS)

Çakir, Fatih Hayati; Çelik, Osman Nuri

2017-09-01

The effect of heat treatment regimes on hardness, impact strength, and wear resistance of rail steel for high-speed tracks (rail quality category R350HT) is studied. Analysis of steel properties with a different structure is compared: pearlitic, and upper and lower bainite. It is shown that the steel with bainitic structure has the best impact strength, but wear resistance is better for steel with a lower bainite structure.

The structure of the blue luminescent delta-phase of tris(8-hydroxyquinoline)aluminium(III) (Alq3).

PubMed

Cölle, Michael; Dinnebier, Robert E; Brütting, Wolfgang

2002-12-07

The existence of the facial isomer in the delta-phase of Alq3 is proven by X-ray structural analysis, revealing that both the different molecular structure and the weaker overlap of the pi-orbitals of hydroxyquinoline ligands belonging to neighboring Alq3 molecules as compared to other phases (alpha, beta) are likely to be the origin of the significantly different optical properties of delta-Alq3.

A Comparative Analysis of United States and Chinese Economic Engagement in Sub Saharan Africa

DTIC Science & Technology

2016-03-01

model of conditional aid attached to structural and social reform. The U.S. trade relationships with sub- Saharan Africa are separate from its aid...relationship to the region is fundamentally different, following a Western model of conditional aid attached to structural and social reform. The U.S...demonstrated structural improvement within a given state and Chinese policy forbidding any conditionality beyond the terms of the transaction.8 The

A phylogenetic analysis of normal modes evolution in enzymes and its relationship to enzyme function

PubMed Central

Lai, Jason; Jin, Jing; Kubelka, Jan; Liberles, David A.

2012-01-01

Since the dynamic nature of protein structures is essential for enzymatic function, it is expected that the functional evolution can be inferred from the changes in the protein dynamics. However, dynamics can also diverge neutrally with sequence substitution between enzymes without changes of function. In this study, a phylogenetic approach is implemented to explore the relationship between enzyme dynamics and function through evolutionary history. Protein dynamics are described by normal mode analysis based on a simplified harmonic potential force field applied to the reduced Cα representation of the protein structure while enzymatic function is described by Enzyme Commission (EC) numbers. Similarity of the binding pocket dynamics at each branch of the protein family’s phylogeny was analyzed in two ways: 1) explicitly by quantifying the normal mode overlap calculated for the reconstructed ancestral proteins at each end and 2) implicitly using a diffusion model to obtain the reconstructed lineage-specific changes in the normal modes. Both explicit and implicit ancestral reconstruction identified generally faster rates of change in dynamics compared with the expected change from neutral evolution at the branches of potential functional divergences for the alpha-amylase, D-isomer specific 2-hydroxyacid dehydrogenase, and copper-containing amine oxidase protein families. Normal modes analysis added additional information over just comparing the RMSD of static structures. However, the branch-specific changes were not statistically significant compared to background function-independent neutral rates of change of dynamic properties and blind application of the analysis would not enable prediction of changes in enzyme specificity. PMID:22651983

A phylogenetic analysis of normal modes evolution in enzymes and its relationship to enzyme function.

PubMed

Lai, Jason; Jin, Jing; Kubelka, Jan; Liberles, David A

2012-09-21

Since the dynamic nature of protein structures is essential for enzymatic function, it is expected that functional evolution can be inferred from the changes in protein dynamics. However, dynamics can also diverge neutrally with sequence substitution between enzymes without changes of function. In this study, a phylogenetic approach is implemented to explore the relationship between enzyme dynamics and function through evolutionary history. Protein dynamics are described by normal mode analysis based on a simplified harmonic potential force field applied to the reduced C(α) representation of the protein structure while enzymatic function is described by Enzyme Commission numbers. Similarity of the binding pocket dynamics at each branch of the protein family's phylogeny was analyzed in two ways: (1) explicitly by quantifying the normal mode overlap calculated for the reconstructed ancestral proteins at each end and (2) implicitly using a diffusion model to obtain the reconstructed lineage-specific changes in the normal modes. Both explicit and implicit ancestral reconstruction identified generally faster rates of change in dynamics compared with the expected change from neutral evolution at the branches of potential functional divergences for the α-amylase, D-isomer-specific 2-hydroxyacid dehydrogenase, and copper-containing amine oxidase protein families. Normal mode analysis added additional information over just comparing the RMSD of static structures. However, the branch-specific changes were not statistically significant compared to background function-independent neutral rates of change of dynamic properties and blind application of the analysis would not enable prediction of changes in enzyme specificity. Copyright © 2012 Elsevier Ltd. All rights reserved.

Cognitive Style Index: Further Investigation of the Factor Structure with an American Student Sample

ERIC Educational Resources Information Center

Backhaus, Kristin; Liff, Joshua P.

2007-01-01

The present study investigates the factor structure of the Cognitive Style Index (CSI), comparing the unitary, bipolar continuum of intuition-analysis, the theory upon which the CSI is predicated, with the two-factor theory of cognitive style. We conducted both confirmatory and exploratory factor analyses on data from a sample of 222 American…

Comparative analysis of the structure of temporomandibular joint in human and rabbit.

PubMed

Tomasello, Giovanni; Sorce, Alessandra; Mazzola, Margherita; Barone, Rosario; Lo Piccolo, Chiara; Farina, Felicia; Zummo, Giovanni; Carini, Francesco

2017-01-16

In order to increase knowledge on the morphology and structure of the articular disc of the TMJ for a better understanding of the functional role of the same, it proceeded with an investigation on histological samples in the block of 'TMJ and periarticular tissues of adult rabbits and human fetuses at different stage of development.

The Decline of Industrial Unionism in the Meatpacking Industry: Event-Structure Analyses of Labor Unrest, 1946-1987.

ERIC Educational Resources Information Center

Brueggemann, John; Brown, Cliff

2003-01-01

A study of the United Packinghouse Workers of America compared the postwar years and the Reagan era. Using event-structure analysis, the development of new corporate strategies (new technologies, production reorganization, cheap nonunion labor) fundamentally transformed the capital-labor relationship and led to the collapse of industrial unionism…

A two-generation analysis of pollen pool genetic structure in flowering dogwood Cornus florida (Cornaceae), in the Missouri Ozarks

Treesearch

Victoria L. Sork; Peter E. Smouse; Victoria J. Apsit; Rodney J. Dyer; Robert D. Westfall

2005-01-01

Anthropogenic landscape change can disrupt gene flow. As part of the Missouri Ozark Forest Ecosystem Project, this study examined whether silvicultural practices influence pollen-mediated gene movement in the insect-pollinated species, Cornus florida L., by comparing pollen pool structure (ΦST) among clear-cutting,...

The role of ion mobility spectrometry-mass spectrometry in the analysis of protein reference standards.

PubMed

Pritchard, Caroline; O'Connor, Gavin; Ashcroft, Alison E

2013-08-06

To achieve comparability of measurement results of protein amount of substance content between clinical laboratories, suitable reference materials are required. The impact on measurement comparability of potential differences in the tertiary and quaternary structure of protein reference standards is as yet not well understood. With the use of human growth hormone as a model protein, the potential of ion mobility spectrometry-mass spectrometry as a tool to assess differences in the structure of protein reference materials and their interactions with antibodies has been investigated here.

A comparative study on book shelf structure based on different domain modal analysis

NASA Astrophysics Data System (ADS)

Sabamehr, Ardalan; Roy, Timir Baran; Bagchi, Ashutosh

2017-04-01

Structural Health Monitoring (SHM) based on the vibration of structures has been very attractive topic for researchers in different fields such as: civil, aeronautical and mechanical engineering. The aim of this paper is to compare three most common modal identification techniques such as Frequency Domain Decomposition (FDD), Stochastic Subspace Identification (SSI) and Continuous Wavelet Transform (CWT) to find modal properties (such as natural frequency, mode shape and damping ratio) of three story book shelf steel structure which was built in Concordia University Lab. The modified Complex Morlet wavelet have been selected for wavelet in order to use asymptotic signal rather than real one with variable bandwidth and wavelet central frequency. So, CWT is able to detect instantaneous modulus and phase by use of local maxima ridge detection.

The crustal tectonics and history of Europa: A structural, morphological, and comparative analysis. M.S. Thesis

NASA Technical Reports Server (NTRS)

Schenk, P. M.

1984-01-01

An evaluation of surface features and structures on the Galilean moon Europa is made using the available high resolution Voyager imagery, low resolution support imaging, and what understanding of ice structure and mechanical behavior science has that is applicable to the problem. A general discussion of the history of Europa studies and the fundamental global morphology is undertaken. The visible lineament and terrain patterns are described, and possible origins discussed. Observations of faulting and block rotation previously described are amplified. A comparison of Europa's structures to terrestrial sea ice and lava lake crust features is also included. Finally, an attempt is made at synthesizing a unified model for the evolution of Europa's crust is presented which is compared with models developed by others.

Hydroxycinnamic acid bound arabinoxylans from millet brans-structural features and antioxidant activity.

PubMed

Bijalwan, Vandana; Ali, Usman; Kesarwani, Atul Kumar; Yadav, Kamalendra; Mazumder, Koushik

2016-07-01

Hydroxycinnamic acid bound arabinoxylans (HCA-AXs) were extracted from brans of five Indian millet varieties and response surface methodology was used to optimize the extraction conditions. The optimal condition to obtain highest yield of millet HCA-AXs was determined as follows: time 61min, temperature 66°C, ratio of solvent to sample 12ml/g. Linkage analysis indicated that hydroxycinnamic acid bound arabinoxylan from kodo millet (KM-HCA-AX) contained comparatively low branched arabinoxylan consisting of 14.6% mono-substituted, 1.2% di-substituted and 41.2% un-substituted Xylp residues. The HPLC analysis of millet HCA-AXs showed significant variation in the content of three major bound hydroxycinnamic acids (caffeic, p-coumaric and ferulic acid). The antioxidant activity of millet HCA-AXs were evaluated using three in vitro assay methods (DPPH, FRAP and β-carotene linoleate emulsion assays) which suggested both phenolic acid composition and structural characteristics of arabinoxylans could be correlated to their antioxidant potential, the detailed structural analysis revealed that low substituted KM-HCA-AX exhibited relatively higher antioxidant activity compared to other medium and highly substituted HCA-AXs from finger (FM), proso (PM), barnyard (BM) and foxtail (FOXM) millet. Copyright © 2016. Published by Elsevier B.V.

3D-QSAR studies on the inhibitory activity of trimethoprim analogues against Escherichia coli dihydrofolate reductase.

PubMed

Vijayaraj, Ramadoss; Devi, Mekapothula Lakshmi Vasavi; Subramanian, Venkatesan; Chattaraj, Pratim Kumar

2012-06-01

Three-dimensional quantitative structure activity relationship (3D-QSAR) study has been carried out on the Escherichia coli DHFR inhibitors 2,4-diamino-5-(substituted-benzyl)pyrimidine derivatives to understand the structural features responsible for the improved potency. To construct highly predictive 3D-QSAR models, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods were used. The predicted models show statistically significant cross-validated and non-cross-validated correlation coefficient of r2 CV and r2 nCV, respectively. The final 3D-QSAR models were validated using structurally diverse test set compounds. Analysis of the contour maps generated from CoMFA and CoMSIA methods reveals that the substitution of electronegative groups at the first and second position along with electropositive group at the third position of R2 substitution significantly increases the potency of the derivatives. The results obtained from the CoMFA and CoMSIA study delineate the substituents on the trimethoprim analogues responsible for the enhanced potency and also provide valuable directions for the design of new trimethoprim analogues with improved affinity. © 2012 John Wiley & Sons A/S.

Identification of Historical Veziragasi Aqueduct Using the Operational Modal Analysis

PubMed Central

Ercan, E.; Nuhoglu, A.

2014-01-01

This paper describes the results of a model updating study conducted on a historical aqueduct, called Veziragasi, in Turkey. The output-only modal identification results obtained from ambient vibration measurements of the structure were used to update a finite element model of the structure. For the purposes of developing a solid model of the structure, the dimensions of the structure, defects, and material degradations in the structure were determined in detail by making a measurement survey. For evaluation of the material properties of the structure, nondestructive and destructive testing methods were applied. The modal analysis of the structure was calculated by FEM. Then, a nondestructive dynamic test as well as operational modal analysis was carried out and dynamic properties were extracted. The natural frequencies and corresponding mode shapes were determined from both theoretical and experimental modal analyses and compared with each other. A good harmony was attained between mode shapes, but there were some differences between natural frequencies. The sources of the differences were introduced and the FEM model was updated by changing material parameters and boundary conditions. Finally, the real analytical model of the aqueduct was put forward and the results were discussed. PMID:24511287

Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study

DOE PAGES

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo; ...

2016-02-02

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

PubMed Central

Fancher, Chris M.; Han, Zhen; Levin, Igor; Page, Katharine; Reich, Brian J.; Smith, Ralph C.; Wilson, Alyson G.; Jones, Jacob L.

2016-01-01

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method. PMID:27550221

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.

Heat transfer, thermal stress analysis and the dynamic behaviour of high power RF structures. [MARC and SUPERFISH codes

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

McKeown, J.; Labrie, J.P.

1983-08-01

A general purpose finite element computer code called MARC is used to calculate the temperature distribution and dimensional changes in linear accelerator rf structures. Both steady state and transient behaviour are examined with the computer model. Combining results from MARC with the cavity evaluation computer code SUPERFISH, the static and dynamic behaviour of a structure under power is investigated. Structure cooling is studied to minimize loss in shunt impedance and frequency shifts during high power operation. Results are compared with an experimental test carried out on a cw 805 MHz on-axis coupled structure at an energy gradient of 1.8 MeV/m.more » The model has also been used to compare the performance of on-axis and coaxial structures and has guided the mechanical design of structures suitable for average gradients in excess of 2.0 MeV/m at 2.45 GHz.« less

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

Caliandro, Rocco; Sibillano, Teresa; Belviso, B. Danilo

In this study, we have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO 3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO 3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtlemore » stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO 3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO 3-x NC lattice, rather than a variation in stoichiometry. Finally, the time behavior of such structural change is identified on the basis of multivariate analysis.« less

Damming the genomic data flood using a comprehensive analysis and storage data structure

PubMed Central

Bouffard, Marc; Phillips, Michael S.; Brown, Andrew M.K.; Marsh, Sharon; Tardif, Jean-Claude; van Rooij, Tibor

2010-01-01

Data generation, driven by rapid advances in genomic technologies, is fast outpacing our analysis capabilities. Faced with this flood of data, more hardware and software resources are added to accommodate data sets whose structure has not specifically been designed for analysis. This leads to unnecessarily lengthy processing times and excessive data handling and storage costs. Current efforts to address this have centered on developing new indexing schemas and analysis algorithms, whereas the root of the problem lies in the format of the data itself. We have developed a new data structure for storing and analyzing genotype and phenotype data. By leveraging data normalization techniques, database management system capabilities and the use of a novel multi-table, multidimensional database structure we have eliminated the following: (i) unnecessarily large data set size due to high levels of redundancy, (ii) sequential access to these data sets and (iii) common bottlenecks in analysis times. The resulting novel data structure horizontally divides the data to circumvent traditional problems associated with the use of databases for very large genomic data sets. The resulting data set required 86% less disk space and performed analytical calculations 6248 times faster compared to a standard approach without any loss of information. Database URL: http://castor.pharmacogenomics.ca PMID:21159730

Comparative study on diagonal equivalent methods of masonry infill panel

NASA Astrophysics Data System (ADS)

Amalia, Aniendhita Rizki; Iranata, Data

2017-06-01

Infrastructure construction in earthquake prone area needs good design process, including modeling a structure in a correct way to reduce damages caused by an earthquake. Earthquakes cause many damages e.g. collapsed buildings that are dangerous. An incorrect modeling in design process certainly affects the structure's ability in responding to load, i.e. an earthquake load, and it needs to be paid attention to in order to reduce damages and fatalities. A correct modeling considers every aspect that affects the strength of a building, including stiffness of resisting lateral loads caused by an earthquake. Most of structural analyses still use open frame method that does not consider the effect of stiffness of masonry panel to the stiffness and strength of the whole structure. Effect of masonry panel is usually not included in design process, but the presence of this panel greatly affects behavior of the building in responding to an earthquake. In worst case scenario, it can even cause the building to collapse as what has been reported after great earthquakes worldwide. Modeling a structure with masonry panel as consideration can be performed by designing the panel as compression brace or shell element. In designing masonry panel as a compression brace, there are fourteen methods popular to be used by structure designers formulated by Saneinejad-Hobbs, Holmes, Stafford-Smith, Mainstones, Mainstones-Weeks, Bazan-Meli, Liauw Kwan, Paulay and Priestley, FEMA 356, Durani Luo, Hendry, Al-Chaar, Papia and Chen-Iranata. Every method has its own equation and parameters to use, therefore the model of every method was compared to results of experimental test to see which one gives closer values. Moreover, those methods also need to be compared to the open frame to see if they can result values within limits. Experimental test that was used in comparing all methods was taken from Mehrabi's research (Fig. 1), which was a prototype of a frame in a structure with 0.5 scale and the ratio of height to width of 1 to 1.5. Load used in the experiment was based on Uniform Building Code (UBC) 1991. Every method compared was calculated first to get equivalent diagonal strut width. The second step was modelling method using structure analysis software as a frame with a diagonal in a linear mode. The linear mode was chosen based on structure analysis commonly used by structure designers. The frame was loaded and for every model, its load and deformation values were identified. The values of load - deformation of every method were compared to those of experimental test specimen by Mehrabi and open frame. From comparative study performed, Holmes' and Bazan-Meli's equations gave results the closest to the experimental test specimen by Mehrabi. Other equations that gave close values within the limit (by comparing it to the open frame) are Saneinejad-Hobbs, Stafford-Smith, Bazan-Meli, Liauw Kwan, Paulay and Priestley, FEMA 356, Durani Luo, Hendry, Papia and Chen-Iranata.

Reentry heat transfer analysis of the space shuttle orbiter

NASA Technical Reports Server (NTRS)

Ko, W. L.; Quinn, R. D.; Gong, L.

1982-01-01

A structural performance and resizing finite element thermal analysis computer program was used in the reentry heat transfer analysis of the space shuttle. Two typical wing cross sections and a midfuselage cross section were selected for the analysis. The surface heat inputs to the thermal models were obtained from aerodynamic heating analyses, which assumed a purely turbulent boundary layer, a purely laminar boundary layer, separated flow, and transition from laminar to turbulent flow. The effect of internal radiation was found to be quite significant. With the effect of the internal radiation considered, the wing lower skin temperature became about 39 C (70 F) lower. The results were compared with fight data for space transportation system, trajectory 1. The calculated and measured temperatures compared well for the wing if laminar flow was assumed for the lower surface and bay one upper surface and if separated flow was assumed for the upper surfaces of bays other than bay one. For the fuselage, good agreement between the calculated and measured data was obtained if laminar flow was assumed for the bottom surface. The structural temperatures were found to reach their peak values shortly before touchdown. In addition, the finite element solutions were compared with those obtained from the conventional finite difference solutions.

Characterization of Low-Molecular-Weight Heparins by Strong Anion-Exchange Chromatography.

PubMed

Sadowski, Radosław; Gadzała-Kopciuch, Renata; Kowalkowski, Tomasz; Widomski, Paweł; Jujeczka, Ludwik; Buszewski, Bogusław

2017-11-01

Currently, detailed structural characterization of low-molecular-weight heparin (LMWH) products is an analytical subject of great interest. In this work, we carried out a comprehensive structural analysis of LMWHs and applied a modified pharmacopeial method, as well as methods developed by other researchers, to the analysis of novel biosimilar LMWH products; and, for the first time, compared the qualitative and quantitative composition of commercially available drugs (enoxaparin, nadroparin, and dalteparin). For this purpose, we used strong anion-exchange (SAX) chromatography with spectrophotometric detection because this method is more helpful, easier, and faster than other separation techniques for the detailed disaccharide analysis of new LMWH drugs. In addition, we subjected the obtained results to statistical analysis (factor analysis, t-test, and Newman-Keuls post hoc test).

Regional atrophy of the basal ganglia and thalamus in idiopathic generalized epilepsy.

PubMed

Du, Hanjian; Zhang, Yuanchao; Xie, Bing; Wu, Nan; Wu, Guocai; Wang, Jian; Jiang, Tianzi; Feng, Hua

2011-04-01

To determine the regional changes in the shapes of subcortical structures in idiopathic generalized epilepsy using a vertex-based analysis method. Earlier studies found that gray matter volume in the frontal, parietal, and temporal lobes is significantly altered in idiopathic generalized epilepsy (IGE). Research has indicated that a relationship exists between the brain's subcortical structures and epilepsy. However, little is known about possible changes in the subcortical structures in IGE. This study aims to determine the changes in the shape of subcortical structures in IGE using vertex analysis. Fourteen male patients with IGE and 28 age- and sex-matched healthy controls were included in this study, which used high-resolution magnetic resonance imaging. We performed a vertex-based shape analysis, in which we compared patients with IGE with the controls, on the subcortical structures that we had obtained from the MRI data. Statistical analysis showed significant regional atrophy in the left thalamus, left putamen and bilateral globus pallidus in patients with IGE. These results indicate that regional atrophy of the basal ganglia and the thalamus may be related to seizure disorder. In the future, these findings may prove useful for choosing new therapeutic regimens. Copyright © 2011 Wiley-Liss, Inc.

Hybrid Wing-Body (HWB) Pressurized Fuselage Modeling, Analysis, and Design for Weight Reduction

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

2012-01-01

This paper describes the interim progress for an in-house study that is directed toward innovative structural analysis and design of next-generation advanced aircraft concepts, such as the Hybrid Wing-Body (HWB) and the Advanced Mobility Concept-X flight vehicles, for structural weight reduction and associated performance enhancement. Unlike the conventional, skin-stringer-frame construction for a cylindrical fuselage, the box-type pressurized fuselage panels in the HWB undergo significant deformation of the outer aerodynamic surfaces, which must be minimized without significant structural weight penalty. Simple beam and orthotropic plate theory is first considered for sizing, analytical verification, and possible equivalent-plate analysis with appropriate simplification. By designing advanced composite stiffened-shell configurations, significant weight reduction may be possible compared with the sandwich and ribbed-shell structural concepts that have been studied previously. The study involves independent analysis of the advanced composite structural concepts that are presently being developed by The Boeing Company for pressurized HWB flight vehicles. High-fidelity parametric finite-element models of test coupons, panels, and multibay fuselage sections, were developed for conducting design studies and identifying critical areas of potential failure. Interim results are discussed to assess the overall weight/strength advantages.

Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N 1-protonated salts

NASA Astrophysics Data System (ADS)

Ivanova, B. B.

2005-11-01

A stereo structural characterization of 2,5,6-thrimethylbenzimidazole (MBIZ) and 2-amino-benzimidaziole (2-NH 2-BI) and their N 1 protonation salts was carried out using a polarized solid state linear dichroic infrared spectral (IR-LD) analysis in nematic liquid crystal suspension. All experimental predicted structures were compared with the theoretical ones, obtained by ab initio calculations. The Cs to C2v* symmetry transformation as a result of protonation processes, with a view of its reflection on the infrared spectral characteristics was described.

Synthesis and crystal structure analysis of uranyl triple acetates

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

Klepov, Vladislav V., E-mail: vladislavklepov@gmail.com; Department of Chemistry, Samara National Research University, 443086 Samara; Serezhkina, Larisa B.

2016-12-15

Single crystals of triple acetates NaR[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 3}·6H{sub 2}O (R=Mg, Co, Ni, Zn), well-known for their use as reagents for sodium determination, were grown from aqueous solutions and their structural and spectroscopic properties were studied. Crystal structures of the mentioned phases are based upon (Na[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 3}){sup 2–} clusters and [R(H{sub 2}O){sub 6}]{sup 2+} aqua-complexes. The cooling of a single crystal of NaMg[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 3}·6H{sub 2}O from 300 to 100 K leads to a phase transition from trigonal to monoclinic crystal system. Intermolecular interactions between the structural units and their mutual packing were studiedmore » and compared from the point of view of the stereoatomic model of crystal structures based on Voronoi-Dirichlet tessellation. Using this method we compared the crystal structures of the triple acetates with Na[UO{sub 2}(CH{sub 3}COO){sub 3}] and [R(H{sub 2}O){sub 6}][UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2} and proposed reasons of triple acetates stability. Infrared and Raman spectra were collected and their bands were assigned. - Graphical abstract: Single crystals of uranium based triple acetates, analytical reagents for sodium determination, were synthesized and structurally, spectroscopically and topologically characterized. The structures were compared with the structures of compounds from preceding families [M(H{sub 2}O){sub 6})][UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2} (M = Mg, Co, Ni, Zn) and Na[UO{sub 2}(CH{sub 3}COO){sub 3}]. Analysis was performed with the method of molecular Voronoi-Dirichlet polyhedra to reveal a large contribution of the hydrogen bonds into intermolecular interactions which can be a reason of low solubility of studied complexes.« less

An easily implemented static condensation method for structural sensitivity analysis

NASA Technical Reports Server (NTRS)

Gangadharan, S. N.; Haftka, R. T.; Nikolaidis, E.

1990-01-01

A black-box approach to static condensation for sensitivity analysis is presented with illustrative examples of a cube and a car structure. The sensitivity of the structural response with respect to joint stiffness parameter is calculated using the direct method, forward-difference, and central-difference schemes. The efficiency of the various methods for identifying joint stiffness parameters from measured static deflections of these structures is compared. The results indicate that the use of static condensation can reduce computation times significantly and the black-box approach is only slightly less efficient than the standard implementation of static condensation. The ease of implementation of the black-box approach recommends it for use with general-purpose finite element codes that do not have a built-in facility for static condensation.

Characterization of local complex structures in a recurrence plot to improve nonlinear dynamic discriminant analysis.

PubMed

Ding, Hang

2014-01-01

Structures in recurrence plots (RPs), preserving the rich information of nonlinear invariants and trajectory characteristics, have been increasingly analyzed in dynamic discrimination studies. The conventional analysis of RPs is mainly focused on quantifying the overall diagonal and vertical line structures through a method, called recurrence quantification analysis (RQA). This study extensively explores the information in RPs by quantifying local complex RP structures. To do this, an approach was developed to analyze the combination of three major RQA variables: determinism, laminarity, and recurrence rate (DLR) in a metawindow moving over a RP. It was then evaluated in two experiments discriminating (1) ideal nonlinear dynamic series emulated from the Lorenz system with different control parameters and (2) data sets of human heart rate regulations with normal sinus rhythms (n = 18) and congestive heart failure (n = 29). Finally, the DLR was compared with seven major RQA variables in terms of discriminatory power, measured by standardized mean difference (DSMD). In the two experiments, DLR resulted in the highest discriminatory power with DSMD = 2.53 and 0.98, respectively, which were 7.41 and 2.09 times the best performance from RQA. The study also revealed that the optimal RP structures for the discriminations were neither typical diagonal structures nor vertical structures. These findings indicate that local complex RP structures contain some rich information unexploited by RQA. Therefore, future research to extensively analyze complex RP structures would potentially improve the effectiveness of the RP analysis in dynamic discrimination studies.

Comments on the use of network structures to analyse commercial companies’ evolution and their impact on economic behaviour

NASA Astrophysics Data System (ADS)

Costea, Carmen

2006-10-01

Network analysis studies the development of the social structure of relationships around a group or an institutional body, and how it affects beliefs and behaviours. Causal constraints require a special and deeper attention to the social structure. The purpose of this paper is to give a new approach to the idea that this reality should be primarily conceived and investigated from the perspective of the properties of relations between and within units, instead of the properties of these units themselves. The relationship may refer to the exchange of products, labour, information and money. By mapping these relationships, network analysis can help to uncover the emergent and informal communication patterns of commercial companies that may be compared to the formal communication structures. These emergent patterns can be used to explain institutional and individuals’ behaviours. Network analysis techniques focus on the communication structure of an organization that can be subdivided and handled with different approaches. Structural features that can be analysed through the use of network analysis techniques are, for example, the (formal and informal) communication patterns in an organization or the identification of specific groups within an organization. Special attention may be given to specific aspects of communication patterns.

Investigation of antigen-antibody interactions of sulfonamides with a monoclonal antibody in a fluorescence polarization immunoassay using 3D-QSAR models

USDA-ARS?s Scientific Manuscript database

A three-dimensional quantitative structure-activity relationship (3D-QSAR) model of sulfonamide analogs binding a monoclonal antibody (MAbSMR) produced against sulfamerazine was carried out by Distance Comparison (DISCOtech), comparative molecular field analysis (CoMFA), and comparative molecular si...

Structural Analysis of Character Education: A Crosscultural Investigation

ERIC Educational Resources Information Center

Sivo, Stephen; Karl, Shannon; Fox, Jesse; Taub, Gordon; Robinson, Edward

2017-01-01

The primary objective of this cross-cultural investigation is to compare patterns in student responses to an empirically scrutinized character education measure administered to students in four school districts in Florida with students in a school in Kenya. In this way, the generalizability of findings for scale scores could be compared across…

Comparing Two Theories of Grammatical Knowledge Assessment: A Bifactor-MIRT Analysis

ERIC Educational Resources Information Center

Cai, Yuyang

2014-01-01

This study compares two approaches to grammatical knowledge in language assessment: the structural view that regards grammatical knowledge as vocabulary and syntax (Bachman 1990), and the communicative view that perceives it as the binary combination of grammatical form and meaning (Purpura 2004). 1,491 second-year nursing students from eight…

Comparative Study on the Senior Secondary School Mathematics Curricula Development in Ethiopia and Australia

ERIC Educational Resources Information Center

Meleta, Fufa E.; Zhang, Weizhong

2017-01-01

The main objective of this study is to compare the process of the senior secondary school mathematics curricula development in Ethiopia and Australia. The study was investigated qualitatively with document analysis and semi-structured interview research methods. The documents were collected from Federal Democratic Republic of Ethiopia Ministry of…

COMPARATIVE MUTAGENICITY OF HALOMETHANES AND HALONITROMETHANES IN SALMONELLA TA100: STRUCTURE-ACTIVITY ANALYSIS AND MUTATION SPECTRA. (ERD)

EPA Science Inventory

Halonitromethanes (HNMs) are a recently identified class of disinfection by-products (DPBs) in drinking water that are mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells. Here we compared the mutagenic potencies of the HNMs to those of their halo...

COMPARATIVE MUTAGENICITY OF HALOMETHANES AND HALONITROMETHANES IN SALMONELLA TA100: STRUCTURE-ACTIVITY ANALYSIS AND MUTATION SPECTRA

EPA Science Inventory

Halonitromethanes (HNMs) are a recently identified class of disinfection by-products (DPBs) in drinking water that are mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells. Here we compared the mutagenic potencies of the HNMs to those of their halom...

Post-Buckling and Ultimate Strength Analysis of Stiffened Composite Panel Base on Progressive Damage

NASA Astrophysics Data System (ADS)

Zhang, Guofan; Sun, Xiasheng; Sun, Zhonglei

Stiffened composite panel is the typical thin wall structure applied in aerospace industry, and its main failure mode is buckling subjected to compressive loading. In this paper, the development of an analysis approach using Finite Element Method on post-buckling behavior of stiffened composite structures under compression was presented. Then, the numerical results of stiffened panel are obtained by FE simulations. A thorough comparison were accomplished by comparing the load carrying capacity and key position strains of the specimen with test. The comparison indicates that the FEM results which adopted developed methodology could meet the demand of engineering application in predicting the post-buckling behavior of intact stiffened structures in aircraft design stage.

Self-assembly of metal nanostructures on binary alloy surfaces

PubMed Central

Duguet, T.; Han, Yong; Yuen, Chad; Jing, Dapeng; Ünal, Barış; Evans, J. W.; Thiel, P. A.

2011-01-01

Deposition of metals on binary alloy surfaces offers new possibilities for guiding the formation of functional metal nanostructures. This idea is explored with scanning tunneling microscopy studies and atomistic-level analysis and modeling of nonequilibrium island formation. For Au/NiAl(110), complex monolayer structures are found and compared with the simple fcc(110) bilayer structure recently observed for Ag/NiAl(110). We also consider a more complex codeposition system, (Ni + Al)/NiAl(110), which offers the opportunity for fundamental studies of self-growth of alloys including deviations for equilibrium ordering. A general multisite lattice-gas model framework enables analysis of structure selection and morphological evolution in these systems. PMID:21097706

Lumped mass model of a 1D metastructure for vibration suppression with no additional mass

NASA Astrophysics Data System (ADS)

Reichl, Katherine K.; Inman, Daniel J.

2017-09-01

The article examines the effectiveness of metastructures for vibration suppression from a weight standpoint. Metastructures, a metamaterial inspired concept, are structures with distributed vibration absorbers. In automotive and aerospace industries, it is critical to have low levels of vibrations while also using lightweight materials. Previous work has shown that metastructures are effective at mitigating vibrations, but do not consider the effects of mass. This work takes mass into consideration by comparing a structure with vibration absorbers to a structure of equal mass with no absorbers. These structures are modeled as one-dimensional lumped mass models, chosen for simplicity. Results compare both the steady-state and the transient responses. As a quantitative performance measure, the H2 norm, which is related to the area under the frequency response function, is calculated and compared for both the metastructure and the baseline structure. These results show that it is possible to obtain a favorable vibration response without adding additional mass to the structure. Additionally, the performance measure is utilized to optimize the geometry of the structure, determine the optimal ratio of mass in the absorber to mass of the host structure, and determine the frequencies of the absorbers. The dynamic response of this model is verified using a finite element analysis.

Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.

PubMed

Skinnider, Michael A; Dejong, Chris A; Franczak, Brian C; McNicholas, Paul D; Magarvey, Nathan A

2017-08-16

Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural products is a particularly important problem, as the biological activities of these molecules have been extensively optimized by natural selection. The large and structurally complex scaffolds of natural products distinguish their physical and chemical properties from those of synthetic compounds. However, no analysis of the performance of existing methods for molecular similarity calculation specific to natural products has been reported to date. Here, we present LEMONS, an algorithm for the enumeration of hypothetical modular natural product structures. We leverage this algorithm to conduct a comparative analysis of molecular similarity methods within the unique chemical space occupied by modular natural products using controlled synthetic data, and comprehensively investigate the impact of diverse biosynthetic parameters on similarity search. We additionally investigate a recently described algorithm for natural product retrobiosynthesis and alignment, and find that when rule-based retrobiosynthesis can be applied, this approach outperforms conventional two-dimensional fingerprints, suggesting it may represent a valuable approach for the targeted exploration of natural product chemical space and microbial genome mining. Our open-source algorithm is an extensible method of enumerating hypothetical natural product structures with diverse potential applications in bioinformatics.

Comparative genome analysis of Alkhumra hemorrhagic fever virus with Kyasanur forest disease and tick-borne encephalitis viruses by the in silico approach.

PubMed

Palanisamy, Navaneethan; Akaberi, Dario; Lennerstrand, Johan; Lundkvist, Åke

2018-05-10

Alkhumra hemorrhagic fever virus (AHFV), a relatively new member of the Flaviviruses, was discovered in Saudi Arabia 23 years ago. AHFV is classified in the tick-borne encephalitis virus serocomplex, along with the Kyasanur forest disease virus (KFDV) and tick-borne encephalitis virus (TBEV). Currently, very little is known about the pathologies of AHFV. In this study, using the available genome information of AHFV, KFDV and TBEV, we have predicted and compared the following aspects of these viruses: evolution, nucleotide and protein compositions, recombination, codon frequency, substitution rate, N- and O-glycosylation sites, signal peptide and cleavage site, transmembrane region, secondary structure of 5' and 3' UTRs and RNA-RNA interactions. Additionally, we have modeled the 3D protease and RNA-dependent RNA polymerase structures for AHFV, KFDV and TBEV. Recombination analysis showed no evidence of recombination in the AHFV genome with that of either KFDV or TBEV, although single break point analysis showed that nucleotide position 7399 (in the NS4B) is a breakpoint location. AHFV, KFDV and TBEV are very similar in terms of codon frequency, the number of transmembrane regions, properties of the polyprotein, RNA-RNA interaction sequences, NS3 protease and NS5 polymerase structures and 5' UTR structure. Using genome sequences, we showed the similarities between these closely- related viruses on several different areas.

Complete genome analysis of dengue virus type 3 isolated from the 2013 dengue outbreak in Yunnan, China.

PubMed

Wang, Xiaodan; Ma, Dehong; Huang, Xinwei; Li, Lihua; Li, Duo; Zhao, Yujiao; Qiu, Lijuan; Pan, Yue; Chen, Junying; Xi, Juemin; Shan, Xiyun; Sun, Qiangming

2017-06-15

In the past few decades, dengue has spread rapidly and is an emerging disease in China. An unexpected dengue outbreak occurred in Xishuangbanna, Yunnan, China, resulting in 1331 patients in 2013. In order to obtain the complete genome information and perform mutation and evolutionary analysis of causative agent related to this largest outbreak of dengue fever. The viruses were isolated by cell culture and evaluated by genome sequence analysis. Phylogenetic trees were then constructed by Neighbor-Joining methods (MEGA6.0), followed by analysis of nucleotide mutation and amino acid substitution. The analysis of the diversity of secondary structure for E and NS1 protein were also performed. Then selection pressures acting on the coding sequences were estimated by PAML software. The complete genome sequences of two isolated strains (YNSW1, YNSW2) were 10,710 and 10,702 nucleotides in length, respectively. Phylogenetic analysis revealed both strain were classified as genotype II of DENV-3. The results indicated that both isolated strains of Xishuangbanna in 2013 and Laos 2013 stains (KF816161.1, KF816158.1, LC147061.1, LC147059.1, KF816162.1) were most similar to Bangladesh (AY496873.2) in 2002. After comparing with the DENV-3SS (H87) 62 amino acid substitutions were identified in translated regions, and 38 amino acid substitutions were identified in translated regions compared with DENV-3 genotype II stains Bangladesh (AY496873.2). 27(YNSW1) or 28(YNSW2) single nucleotide changes were observed in structural protein sequences with 7(YNSW1) or 8(YNSW2) non-synonymous mutations compared with AY496873.2. Of them, 4 non-synonymous mutations were identified in E protein sequences with (2 in the β-sheet, 2 in the coil). Meanwhile, 117(YNSW1) or 115 (YNSW2) single nucleotide changes were observed in non-structural protein sequences with 31(YNSW1) or 30 (YNSW2) non-synonymous mutations. Particularly, 14 single nucleotide changes were observed in NS1 sequences with 4/14 non-synonymous substitutions (4 in the coil). Selection pressure analysis revealed no positive selection in the amino acid sites of the genes encoding for structural and non-structural proteins. This study may help understand the intrinsic geographical relatedness of dengue virus 3 and contributes further to research on their infectivity, pathogenicity and vaccine development. Copyright © 2017 Elsevier B.V. All rights reserved.

Close-packed structure dynamics with finite-range interaction: computational mechanics with individual layer interaction.

PubMed

Rodriguez-Horta, Edwin; Estevez-Rams, Ernesto; Lora-Serrano, Raimundo; Neder, Reinhard

2017-09-01

This is the second contribution in a series of papers dealing with dynamical models in equilibrium theories of polytypism. A Hamiltonian introduced by Ahmad & Khan [Phys. Status Solidi B (2000), 218, 425-430] avoids the unphysical assignment of interaction terms to fictitious entities given by spins in the Hägg coding of the stacking arrangement. In this paper an analysis of polytype generation and disorder in close-packed structures is made for such a Hamiltonian. Results are compared with a previous analysis using the Ising model. Computational mechanics is the framework under which the analysis is performed. The competing effects of disorder and structure, as given by entropy density and excess entropy, respectively, are discussed. It is argued that the Ahmad & Khan model is simpler and predicts a larger set of polytypes than previous treatments.

Analysis of alluvial hydrostratigraphy using indicator geostatistics, with examples from Santa Clara Valley, California

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

NONE

1995-03-01

Current trends in hydrogeology seek to enlist sedimentary concepts in the interpretation of permeability structures. However, existing conceptual models of alluvial deposition tend to inadequately account for the heterogeneity caused by complex sedimentological and external factors. This dissertation presents three analyses of alluvial hydrostratigraphy using indicator geostatistics. This approach empirically acknowledges both the random and structured qualities of alluvial structures at scales relevant to site investigations. The first analysis introduces the indicator approach, whereby binary values are assigned to borehole-log intervals on the basis of inferred relative permeability; it presents a case study of indicator variography at a well-documented ground-watermore » contamination site, and uses indicator kriging to interpolate an aquifer-aquitard sequence in three dimensions. The second analysis develops an alluvial-architecture context for interpreting semivariograms, and performs comparative variography for a suite of alluvial sites in Santa Clara Valley, California. The third analysis investigates the use of a water well perforation indicator for assessing large-scale hydrostratigraphic structures within relatively deep production zones.« less

New computing systems and their impact on structural analysis and design

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.

1989-01-01

A review is given of the recent advances in computer technology that are likely to impact structural analysis and design. The computational needs for future structures technology are described. The characteristics of new and projected computing systems are summarized. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed, and a novel partitioning strategy is outlined for maximizing the degree of parallelism. The strategy is designed for computers with a shared memory and a small number of powerful processors (or a small number of clusters of medium-range processors). It is based on approximating the response of the structure by a combination of symmetric and antisymmetric response vectors, each obtained using a fraction of the degrees of freedom of the original finite element model. The strategy was implemented on the CRAY X-MP/4 and the Alliant FX/8 computers. For nonlinear dynamic problems on the CRAY X-MP with four CPUs, it resulted in an order of magnitude reduction in total analysis time, compared with the direct analysis on a single-CPU CRAY X-MP machine.

Experimental and Computational Study of Sonic and Supersonic Jet Plumes

NASA Technical Reports Server (NTRS)

Venkatapathy, E.; Naughton, J. W.; Fletcher, D. G.; Edwards, Thomas A. (Technical Monitor)

1994-01-01

Study of sonic and supersonic jet plumes are relevant to understanding such phenomenon as jet-noise, plume signatures, and rocket base-heating and radiation. Jet plumes are simple to simulate and yet, have complex flow structures such as Mach disks, triple points, shear-layers, barrel shocks, shock-shear-layer interaction, etc. Experimental and computational simulation of sonic and supersonic jet plumes have been performed for under- and over-expanded, axisymmetric plume conditions. The computational simulation compare very well with the experimental observations of schlieren pictures. Experimental data such as temperature measurements with hot-wire probes are yet to be measured and will be compared with computed values. Extensive analysis of the computational simulations presents a clear picture of how the complex flow structure develops and the conditions under which self-similar flow structures evolve. From the computations, the plume structure can be further classified into many sub-groups. In the proposed paper, detail results from the experimental and computational simulations for single, axisymmetric, under- and over-expanded, sonic and supersonic plumes will be compared and the fluid dynamic aspects of flow structures will be discussed.

Sonic and Supersonic Jet Plumes

NASA Technical Reports Server (NTRS)

Venkatapathy, E.; Naughton, J. W.; Flethcher, D. G.; Edwards, Thomas A. (Technical Monitor)

1994-01-01

Study of sonic and supersonic jet plumes are relevant to understanding such phenomenon as jet-noise, plume signatures, and rocket base-heating and radiation. Jet plumes are simple to simulate and yet, have complex flow structures such as Mach disks, triple points, shear-layers, barrel shocks, shock- shear- layer interaction, etc. Experimental and computational simulation of sonic and supersonic jet plumes have been performed for under- and over-expanded, axisymmetric plume conditions. The computational simulation compare very well with the experimental observations of schlieren pictures. Experimental data such as temperature measurements with hot-wire probes are yet to be measured and will be compared with computed values. Extensive analysis of the computational simulations presents a clear picture of how the complex flow structure develops and the conditions under which self-similar flow structures evolve. From the computations, the plume structure can be further classified into many sub-groups. In the proposed paper, detail results from the experimental and computational simulations for single, axisymmetric, under- and over-expanded, sonic and supersonic plumes will be compared and the fluid dynamic aspects of flow structures will be discussed.

Big Policies and a Small World: An Analysis of Policy Problems and Solutions in Physical Education

ERIC Educational Resources Information Center

Penney, Dawn

2017-01-01

This paper uses Ball's [1998. Big policies/small world: An introduction to international perspectives in education policy. "Comparative Education," 34(2), 119-130] policy analysis and Bernstein's [1990. "The structuring of pedagogic discourse. Volume IV class, codes and control". London: Routledge; 2000, "Pedagogy,…

Argumentation in a Multi Party Asynchronous Computer Mediated Conference: A Generic Analysis

ERIC Educational Resources Information Center

Coffin, Caroline; Painter, Clare; Hewings, Ann

2005-01-01

This paper draws on systemic functional linguistic genre analysis to illuminate the way in which post graduate applied linguistics students structure their argumentation within a multi party asynchronous computer mediated conference. Two conference discussions within the same postgraduate course are compared in order to reveal the way in which…

Recommendation for Faculty Salaries in Washington Public Higher Education 1977-79. Report No. 77-17.

ERIC Educational Resources Information Center

Curry, Denis; Johnson, Jackie

This document provides an analysis of faculty salary structures in Washington state colleges, universities, and community colleges. Comparative analysis of national averages for faculty salaries and compensation show that Washington institutions are below the national average in terms of faculty salaries, although the amount expended for salaries…

High-resolution NMR study of light and heavy crude oils: “structure-property” analysis

NASA Astrophysics Data System (ADS)

Rakhmatullin, I.; Efimov, S.; Varfolomeev, M.; Klochkov, V.

2018-05-01

Measurements of three light and one heavy crude oil samples were carried out by high-resolution nuclear magnetic resonance (NMR) spectroscopy methods. Quantitative fractions of aromatic molecules and functional groups constituting oil hydrocarbons were determined, and comparative analysis of the oil samples of different viscosity and origin was done.

Neutral model analysis of landscape patterns from mathematical morphology

Treesearch

Kurt H. Riitters; Peter Vogt; Pierre Soille; Jacek Kozak; Christine Estreguil

2007-01-01

Mathematical morphology encompasses methods for characterizing land-cover patterns in ecological research and biodiversity assessments. This paper reports a neutral model analysis of patterns in the absence of a structuring ecological process, to help set standards for comparing and interpreting patterns identified by mathematical morphology on real land-cover maps. We...

Effect of helicopter blade dynamics on blade aerodynamic and structural loads

NASA Technical Reports Server (NTRS)

Heffernan, Ruth M.

1987-01-01

The effect of rotor blade dynamics on aerodynamic and structural loads is examined for a conventional, main-rotor helicopter using a comprehensive rotorcraft analysis (CAMRAD) and flight-test data. The impact of blade dynamics on blade section lift-coefficient time histories is studied by comparing predictions from a rigid-blade analysis and an elastic-blade analysis with helicopter flight test data. The elastic blade analysis better predicts high-frequency behavior of section lift. In addition, components of the blade angle of attack such as elastic blade twist, blade flap rate, blade slope velocity, and inflow are examined as a function of blade mode. Elastic blade motion changed blade angle of attack by a few tenths of a degree, and up to the sixth rotor harmonic. A similar study of the influence of blade dynamics on bending and torsion moments was also conducted. A correlation study comparing predictions from several elastic-blade analyses with flight-test data revealed that an elastic-blade model consisting of only three elastic bending modes (first and second flap and first lag), and two elastic torsion modes was sufficient for good correlation.

Continuous wavelet transform analysis and modal location analysis acoustic emission source location for nuclear piping crack growth monitoring

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

Mohd, Shukri; Holford, Karen M.; Pullin, Rhys

2014-02-12

Source location is an important feature of acoustic emission (AE) damage monitoring in nuclear piping. The ability to accurately locate sources can assist in source characterisation and early warning of failure. This paper describe the development of a novelAE source location technique termed 'Wavelet Transform analysis and Modal Location (WTML)' based on Lamb wave theory and time-frequency analysis that can be used for global monitoring of plate like steel structures. Source location was performed on a steel pipe of 1500 mm long and 220 mm outer diameter with nominal thickness of 5 mm under a planar location test setup usingmore » H-N sources. The accuracy of the new technique was compared with other AE source location methods such as the time of arrival (TOA) techniqueand DeltaTlocation. Theresults of the study show that the WTML method produces more accurate location resultscompared with TOA and triple point filtering location methods. The accuracy of the WTML approach is comparable with the deltaT location method but requires no initial acoustic calibration of the structure.« less

Comparative analysis of different weight matrices in subspace system identification for structural health monitoring

NASA Astrophysics Data System (ADS)

Shokravi, H.; Bakhary, NH

2017-11-01

Subspace System Identification (SSI) is considered as one of the most reliable tools for identification of system parameters. Performance of a SSI scheme is considerably affected by the structure of the associated identification algorithm. Weight matrix is a variable in SSI that is used to reduce the dimensionality of the state-space equation. Generally one of the weight matrices of Principle Component (PC), Unweighted Principle Component (UPC) and Canonical Variate Analysis (CVA) are used in the structure of a SSI algorithm. An increasing number of studies in the field of structural health monitoring are using SSI for damage identification. However, studies that evaluate the performance of the weight matrices particularly in association with accuracy, noise resistance, and time complexity properties are very limited. In this study, the accuracy, noise-robustness, and time-efficiency of the weight matrices are compared using different qualitative and quantitative metrics. Three evaluation metrics of pole analysis, fit values and elapsed time are used in the assessment process. A numerical model of a mass-spring-dashpot and operational data is used in this research paper. It is observed that the principal components obtained using PC algorithms are more robust against noise uncertainty and give more stable results for the pole distribution. Furthermore, higher estimation accuracy is achieved using UPC algorithm. CVA had the worst performance for pole analysis and time efficiency analysis. The superior performance of the UPC algorithm in the elapsed time is attributed to using unit weight matrices. The obtained results demonstrated that the process of reducing dimensionality in CVA and PC has not enhanced the time efficiency but yield an improved modal identification in PC.

Bayesian Factor Analysis as a Variable Selection Problem: Alternative Priors and Consequences

PubMed Central

Lu, Zhao-Hua; Chow, Sy-Miin; Loken, Eric

2016-01-01

Factor analysis is a popular statistical technique for multivariate data analysis. Developments in the structural equation modeling framework have enabled the use of hybrid confirmatory/exploratory approaches in which factor loading structures can be explored relatively flexibly within a confirmatory factor analysis (CFA) framework. Recently, a Bayesian structural equation modeling (BSEM) approach (Muthén & Asparouhov, 2012) has been proposed as a way to explore the presence of cross-loadings in CFA models. We show that the issue of determining factor loading patterns may be formulated as a Bayesian variable selection problem in which Muthén and Asparouhov’s approach can be regarded as a BSEM approach with ridge regression prior (BSEM-RP). We propose another Bayesian approach, denoted herein as the Bayesian structural equation modeling with spike and slab prior (BSEM-SSP), which serves as a one-stage alternative to the BSEM-RP. We review the theoretical advantages and disadvantages of both approaches and compare their empirical performance relative to two modification indices-based approaches and exploratory factor analysis with target rotation. A teacher stress scale data set (Byrne, 2012; Pettegrew & Wolf, 1982) is used to demonstrate our approach. PMID:27314566

Calibrating Nonlinear Soil Material Properties for Seismic Analysis Using Soil Material Properties Intended for Linear Analysis

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

Spears, Robert Edward; Coleman, Justin Leigh

2015-08-01

Seismic analysis of nuclear structures is routinely performed using guidance provided in “Seismic Analysis of Safety-Related Nuclear Structures and Commentary (ASCE 4, 1998).” This document, which is currently under revision, provides detailed guidance on linear seismic soil-structure-interaction (SSI) analysis of nuclear structures. To accommodate the linear analysis, soil material properties are typically developed as shear modulus and damping ratio versus cyclic shear strain amplitude. A new Appendix in ASCE 4-2014 (draft) is being added to provide guidance for nonlinear time domain SSI analysis. To accommodate the nonlinear analysis, a more appropriate form of the soil material properties includes shear stressmore » and energy absorbed per cycle versus shear strain. Ideally, nonlinear soil model material properties would be established with soil testing appropriate for the nonlinear constitutive model being used. However, much of the soil testing done for SSI analysis is performed for use with linear analysis techniques. Consequently, a method is described in this paper that uses soil test data intended for linear analysis to develop nonlinear soil material properties. To produce nonlinear material properties that are equivalent to the linear material properties, the linear and nonlinear model hysteresis loops are considered. For equivalent material properties, the shear stress at peak shear strain and energy absorbed per cycle should match when comparing the linear and nonlinear model hysteresis loops. Consequently, nonlinear material properties are selected based on these criteria.« less

Disruptions of brain structural network in end-stage renal disease patients with long-term hemodialysis and normal-appearing brain tissues.

PubMed

Chou, Ming-Chung; Ko, Chih-Hung; Chang, Jer-Ming; Hsieh, Tsyh-Jyi

2018-05-04

End-stage renal disease (ESRD) patients on hemodialysis were demonstrated to exhibit silent and invisible white-matter alterations which would likely lead to disruptions of brain structural networks. Therefore, the purpose of this study was to investigate the disruptions of brain structural network in ESRD patients. Thiry-three ESRD patients with normal-appearing brain tissues and 29 age- and gender-matched healthy controls were enrolled in this study and underwent both cognitive ability screening instrument (CASI) assessment and diffusion tensor imaging (DTI) acquisition. Brain structural connectivity network was constructed using probabilistic tractography with automatic anatomical labeling template. Graph-theory analysis was performed to detect the alterations of node-strength, node-degree, node-local efficiency, and node-clustering coefficient in ESRD patients. Correlational analysis was performed to understand the relationship between network measures, CASI score, and dialysis duration. Structural connectivity, node-strength, node-degree, and node-local efficiency were significantly decreased, whereas node-clustering coefficient was significantly increased in ESRD patients as compared with healthy controls. The disrupted local structural networks were generally associated with common neurological complications of ESRD patients, but the correlational analysis did not reveal significant correlation between network measures, CASI score, and dialysis duration. Graph-theory analysis was helpful to investigate disruptions of brain structural network in ESRD patients with normal-appearing brain tissues. Copyright © 2018. Published by Elsevier Masson SAS.

Cryofacial Analysis of Permafrost Soils

NASA Astrophysics Data System (ADS)

Shur, Y.; Kanevskiy, M.; Jorgenson, M. T.; Fortier, D.

2008-12-01

Cryogenic structure of soils, specifically the patterns formed by ice inclusions and massive ice in permafrost, depends on the genesis of soils and the way they are transformed into a perennially frozen state. Katasonov (1963) recognized that the analysis of relationship between the patterns of cryogenic structure and the processes of permafrost formation (he termed 'cryofacial analysis') is a powerful tool for understanding of genesis of permafrost in relation to different sediment types. He applied cryofacial analysis to Late Pleistocene syngenetic permafrost (yedoma) and to permafrost formed during freezing of thaw bulbs under drained lakes in the continuous permafrost zone. Our long-term studies of cryogenic structure in Alaska and Russia found that cryofacial analysis can be applied to all types of permafrost soil. We described the evolution of cryogenic structure associated with alluvial chronosequences on arctic floodplains in Russia and Alaska and found the differing cryofacies are highly related to patterns of ecosystem development. Cryogenic structure of glacial-lacustrine deposits in several parts of Alaska is similar to cryogenic structure of these deposits in differing permafrost areas in Russia. Cryofacial analysis is extremely useful in recognition of later modifications of permafrost when compared soils are identical in composition. For example, we differentiated original syngenetic permafrost from permafrost modified by thermokarst and thermal erosion in the CRREL permafrost tunnel at Fox, Alaska on the basis of differences in cryogenic structure. We identified unique cryogenic structures associated with the transient zone of the upper permafrost and with the formation of thermokarst-cave ice. Cryofacial analysis showed that parts of permafrost which were previously thawed after fire can be easily distinguished from parts unaffected by thawing. Cryofacial analysis helped in recognizing areas in central and northern Alaska unaffected by the last glaciation. Finally, the study of basal ice under contemporary glaciers makes possible detection of buried glacial ice along the margins of the Arctic Ocean.

Structure-activity relationship of the ionic cocrystal: 5-amino-2-naphthalene sulfonate·ammonium ions for pharmaceutical applications

NASA Astrophysics Data System (ADS)

Sangeetha, M.; Mathammal, R.

2018-02-01

The ionic cocrystals of 5-amino-2-naphthalene sulfonate · ammonium ions (ANSA-ṡNH4+) were grown under slow evaporation method and examined in detail for pharmaceutical applications. The crystal structure and intermolecular interactions were studied from the single X-ray diffraction analysis and the Hirshfeld surfaces. The 2D fingerprint plots displayed the inter-contacts possible in the ionic crystal. Computational DFT method was established to determine the structural, physical and chemical properties. The molecular geometries obtained from the X-ray studies were compared with the optimized geometrical parameters calculated using DFT/6-31 + G(d,p) method. The band gap energy calculated from the UV-Visible spectral analysis and the HOMO-LUMO energy gap are compared. The theoretical UV-Visible calculations helped in determining the type of electronic transition taking place in the title molecule. The maximum absorption bands and transitions involved in the molecule represented the drug reaction possible. Non-linear optical properties were characterized from SHG efficiency measurements experimentally and the NLO parameters are also calculated from the optimized structure. The reactive sites within the molecule are detailed from the MEP surface maps. The molecular docking studies evident the structure-activity of the ionic cocrystal for anti-cancer drug property.

A Model-Based Approach for Microvasculature Structure Distortion Correction in Two-Photon Fluorescence Microscopy Images

PubMed Central

Dao, Lam; Glancy, Brian; Lucotte, Bertrand; Chang, Lin-Ching; Balaban, Robert S; Hsu, Li-Yueh

2015-01-01

SUMMARY This paper investigates a post-processing approach to correct spatial distortion in two-photon fluorescence microscopy images for vascular network reconstruction. It is aimed at in vivo imaging of large field-of-view, deep-tissue studies of vascular structures. Based on simple geometric modeling of the object-of-interest, a distortion function is directly estimated from the image volume by deconvolution analysis. Such distortion function is then applied to sub volumes of the image stack to adaptively adjust for spatially varying distortion and reduce the image blurring through blind deconvolution. The proposed technique was first evaluated in phantom imaging of fluorescent microspheres that are comparable in size to the underlying capillary vascular structures. The effectiveness of restoring three-dimensional spherical geometry of the microspheres using the estimated distortion function was compared with empirically measured point-spread function. Next, the proposed approach was applied to in vivo vascular imaging of mouse skeletal muscle to reduce the image distortion of the capillary structures. We show that the proposed method effectively improve the image quality and reduce spatially varying distortion that occurs in large field-of-view deep-tissue vascular dataset. The proposed method will help in qualitative interpretation and quantitative analysis of vascular structures from fluorescence microscopy images. PMID:26224257

Multidisciplinary design optimization using multiobjective formulation techniques

NASA Technical Reports Server (NTRS)

Chattopadhyay, Aditi; Pagaldipti, Narayanan S.

1995-01-01

This report addresses the development of a multidisciplinary optimization procedure using an efficient semi-analytical sensitivity analysis technique and multilevel decomposition for the design of aerospace vehicles. A semi-analytical sensitivity analysis procedure is developed for calculating computational grid sensitivities and aerodynamic design sensitivities. Accuracy and efficiency of the sensitivity analysis procedure is established through comparison of the results with those obtained using a finite difference technique. The developed sensitivity analysis technique are then used within a multidisciplinary optimization procedure for designing aerospace vehicles. The optimization problem, with the integration of aerodynamics and structures, is decomposed into two levels. Optimization is performed for improved aerodynamic performance at the first level and improved structural performance at the second level. Aerodynamic analysis is performed by solving the three-dimensional parabolized Navier Stokes equations. A nonlinear programming technique and an approximate analysis procedure are used for optimization. The proceduredeveloped is applied to design the wing of a high speed aircraft. Results obtained show significant improvements in the aircraft aerodynamic and structural performance when compared to a reference or baseline configuration. The use of the semi-analytical sensitivity technique provides significant computational savings.

Motion video analysis using planar parallax

NASA Astrophysics Data System (ADS)

Sawhney, Harpreet S.

1994-04-01

Motion and structure analysis in video sequences can lead to efficient descriptions of objects and their motions. Interesting events in videos can be detected using such an analysis--for instance independent object motion when the camera itself is moving, figure-ground segregation based on the saliency of a structure compared to its surroundings. In this paper we present a method for 3D motion and structure analysis that uses a planar surface in the environment as a reference coordinate system to describe a video sequence. The motion in the video sequence is described as the motion of the reference plane, and the parallax motion of all the non-planar components of the scene. It is shown how this method simplifies the otherwise hard general 3D motion analysis problem. In addition, a natural coordinate system in the environment is used to describe the scene which can simplify motion based segmentation. This work is a part of an ongoing effort in our group towards video annotation and analysis for indexing and retrieval. Results from a demonstration system being developed are presented.

Loads Correlation of a Full-Scale UH-60A Airloads Rotor in a Wind Tunnel

NASA Technical Reports Server (NTRS)

Yeo, Hyeonsoo; Romander, Ethan A.

2012-01-01

Wind tunnel measurements of the rotor trim, blade airloads, and structural loads of a full-scale UH-60A Black Hawk main rotor are compared with calculations obtained using the comprehensive rotorcraft analysis CAMRAD II and a coupled CAMRAD II/OVERFLOW 2 analysis. A speed sweep at constant lift up to an advance ratio of 0.4 and a thrust sweep at constant speed into deep stall are investigated. The coupled analysis shows significant improvement over comprehensive analysis. Normal force phase is better captured and pitching moment magnitudes are better predicted including the magnitude and phase of the two stall events in the fourth quadrant at the deeply stalled condition. Structural loads are, in general, improved with the coupled analysis, but the magnitude of chord bending moment is still significantly underpredicted. As there are three modes around 4 and 5/rev frequencies, the structural responses to the 5/rev airloads due to dynamic stall are magnified and thus care must be taken in the analysis of the deeply stalled condition.

Comparative abrasive wear resistance and surface analysis of dental resin-based materials

PubMed Central

Nayyer, Maleeha; Zahid, Shahreen; Hassan, Syed Hammad; Mian, Salman Aziz; Mehmood, Sana; Khan, Haroon Ahmed; Kaleem, Muhammad; Zafar, Muhammad Sohail; Khan, Abdul Samad

2018-01-01

Objective: The objective of this study was to assess the surface properties (microhardness and wear resistance) of various composites and compomer materials. In addition, the methodologies used for assessing wear resistance were compared. Materials and Methods: This study was conducted using restorative material (Filtek Z250, Filtek Z350, QuiXfil, SureFil SDR, and Dyract XP) to assess wear resistance. A custom-made toothbrush simulator was employed for wear testing. Before and after wear resistance, structural, surface, and physical properties were assessed using various techniques. Results: Structural changes and mass loss were observed after treatment, whereas no significant difference in terms of microhardness was observed. The correlation between atomic force microscopy (AFM) and profilometer and between wear resistance and filler volume was highly significant. The correlation between wear resistance and microhardness were insignificant. Conclusions: The AFM presented higher precision compared to optical profilometers at a nanoscale level, but both methods can be used in tandem for a more detailed and precise roughness analysis. PMID:29657526

Structure, recognition and adaptive binding in RNA aptamer complexes.

PubMed

Patel, D J; Suri, A K; Jiang, F; Jiang, L; Fan, P; Kumar, R A; Nonin, S

1997-10-10

Novel features of RNA structure, recognition and discrimination have been recently elucidated through the solution structural characterization of RNA aptamers that bind cofactors, aminoglycoside antibiotics, amino acids and peptides with high affinity and specificity. This review presents the solution structures of RNA aptamer complexes with adenosine monophosphate, flavin mononucleotide, arginine/citrulline and tobramycin together with an example of hydrogen exchange measurements of the base-pair kinetics for the AMP-RNA aptamer complex. A comparative analysis of the structures of these RNA aptamer complexes yields the principles, patterns and diversity associated with RNA architecture, molecular recognition and adaptive binding associated with complex formation.

In silico studies on tryparedoxin peroxidase of Leishmania infantum: structural aspects.

PubMed

Singh, Bishal Kumar; Dubey, Vikash Kumar

2009-09-01

Tryparedoxin peroxidase (TryP) is a key enzyme of the trypanothione-dependent metabolism for removal of oxidative stress in leishmania. These enzymes function as antioxidants through their peroxidase and peroxynitrite reductase activities. Inhibitors of this enzyme are presumed to be antilesihmania drugs and structural studies are prerequisite of rational drug design. We have constructed three dimensional structure of TryP of Leishmania infantum using comparative modeling. Structural analysis reveals several interesting features. Moreover, it shows remarkable structural difference with human host glutathione peroxidase, an enzyme involved in similar function and TryP from Leishmania major.

Computational Analysis Reveals the Association of Threonine 118 Methionine Mutation in PMP22 Resulting in CMT-1A

PubMed Central

Swetha, Rayapadi G.

2014-01-01

The T118M mutation in PMP22 gene is associated with Charcot Marie Tooth, type 1A (CMT1A). CMT1A is a form of Charcot-Marie-Tooth disease, the most common inherited disorder of the peripheral nervous system. Mutations in CMT related disorder are seen to increase the stability of the protein resulting in the diseased state. We performed SNP analysis for all the nsSNPs of PMP22 protein and carried out molecular dynamics simulation for T118M mutation to compare the stability difference between the wild type protein structure and the mutant protein structure. The mutation T118M resulted in the overall increase in the stability of the mutant protein. The superimposed structure shows marked structural variation between the wild type and the mutant protein structures. PMID:25400662

A study of structural concepts for ultralightweight spacecraft

NASA Technical Reports Server (NTRS)

Miller, R. K.; Knapp, K.; Hedgepeth, J. M.

1984-01-01

Structural concepts for ultralightweight spacecraft were studied. Concepts for ultralightweight space structures were identified and the validity of heir potential application in advanced spacecraft was assessed. The following topics were investigated: (1) membrane wrinkling under pretensioning; (2) load-carrying capability of pressurized tubes; (3) equilibrium of a precompressed rim; (4) design of an inflated reflector spacecraft; (5) general instability of a rim; and (6) structural analysis of a pressurized isotensoid column. The design approaches for a paraboloidal reflector spacecraft included a spin-stiffened design, both inflated and truss central columns, and to include both deep truss and rim-stiffened geodesic designs. The spinning spacecraft analysis is included, and the two truss designs are covered. The performances of four different approaches to the structural design of a paraboloidal reflector spacecraft are compared. The spinning and inflated configurations result in very low total masses and some concerns about their performance due to unresolved questions about dynamic stability and lifetimes, respectively.

Predicted secondary structure similarity in the absence of primary amino acid sequence homology: hepatitis B virus open reading frames.

PubMed Central

Schaeffer, E; Sninsky, J J

1984-01-01

Proteins that are related evolutionarily may have diverged at the level of primary amino acid sequence while maintaining similar secondary structures. Computer analysis has been used to compare the open reading frames of the hepatitis B virus to those of the woodchuck hepatitis virus at the level of amino acid sequence, and to predict the relative hydrophilic character and the secondary structure of putative polypeptides. Similarity is seen at the levels of relative hydrophilicity and secondary structure, in the absence of sequence homology. These data reinforce the proposal that these open reading frames encode viral proteins. Computer analysis of this type can be more generally used to establish structural similarities between proteins that do not share obvious sequence homology as well as to assess whether an open reading frame is fortuitous or codes for a protein. PMID:6585835

Deterministic Design Optimization of Structures in OpenMDAO Framework

NASA Technical Reports Server (NTRS)

Coroneos, Rula M.; Pai, Shantaram S.

2012-01-01

Nonlinear programming algorithms play an important role in structural design optimization. Several such algorithms have been implemented in OpenMDAO framework developed at NASA Glenn Research Center (GRC). OpenMDAO is an open source engineering analysis framework, written in Python, for analyzing and solving Multi-Disciplinary Analysis and Optimization (MDAO) problems. It provides a number of solvers and optimizers, referred to as components and drivers, which users can leverage to build new tools and processes quickly and efficiently. Users may download, use, modify, and distribute the OpenMDAO software at no cost. This paper summarizes the process involved in analyzing and optimizing structural components by utilizing the framework s structural solvers and several gradient based optimizers along with a multi-objective genetic algorithm. For comparison purposes, the same structural components were analyzed and optimized using CometBoards, a NASA GRC developed code. The reliability and efficiency of the OpenMDAO framework was compared and reported in this report.

Solid Modeling of Crew Exploration Vehicle Structure Concepts for Mass Optimization

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

2006-01-01

Parametric solid and surface models of the crew exploration vehicle (CEV) command module (CM) structure concepts are developed for rapid finite element analyses, structural sizing and estimation of optimal structural mass. The effects of the structural configuration and critical design parameters on the stress distribution are visualized, examined to arrive at an efficient design. The CM structural components consisted of the outer heat shield, inner pressurized crew cabin, ring bulkhead and spars. For this study only the internal cabin pressure load case is considered. Component stress, deflection, margins of safety and mass are used as design goodness criteria. The design scenario is explored by changing the component thickness parameters and materials until an acceptable design is achieved. Aluminum alloy, titanium alloy and an advanced composite material properties are considered for the stress analysis and the results are compared as a part of lessons learned and to build up a structural component sizing knowledge base for the future CEV technology support. This independent structural analysis and the design scenario based optimization process may also facilitate better CM structural definition and rapid prototyping.

DMS-MaPseq for genome-wide or targeted RNA structure probing in vivo

PubMed Central

Zubradt, Meghan; Gupta, Paromita; Persad, Sitara; Lambowitz, Alan M.; Weissman, Jonathan S.; Rouskin, Silvi

2017-01-01

Coupling structure-specific in vivo chemical modification to next-generation sequencing is transforming RNA secondary structural studies in living cells. The dominant strategy for detecting in vivo chemical modifications uses reverse transcriptase truncation products, which introduces biases and necessitates population-average assessments of RNA structure. Here we present dimethyl sulfate mutational profiling with sequencing (DMS-MaPseq), which encodes DMS modifications as mismatches using a thermostable group II intron reverse transcriptase (TGIRT). DMS-MaPseq yields a high signal-to-noise ratio, can report multiple structural features per molecule, and allows both genome-wide studies and focused in vivo investigations of even low abundance RNAs. We apply DMS-MaPseq for the first analysis of RNA structure within an animal tissue and to identify a functional structure involved in non-canonical translation initiation. Additionally, we use DMS-MaPseq to compare the in vivo structure of pre-mRNAs to their mature isoforms. These applications illustrate DMS-MaPseq’s capacity to dramatically expand in vivo analysis of RNA structure. PMID:27819661

Brain structure differences between Chinese and Caucasian cohorts: A comprehensive morphometry study.

PubMed

Tang, Yuchun; Zhao, Lu; Lou, Yunxia; Shi, Yonggang; Fang, Rui; Lin, Xiangtao; Liu, Shuwei; Toga, Arthur

2018-05-01

Numerous behavioral observations and brain function studies have demonstrated that neurological differences exist between East Asians and Westerners. However, the extent to which these factors relate to differences in brain structure is still not clear. As the basis of brain functions, the anatomical differences in brain structure play a primary and critical role in the origination of functional and behavior differences. To investigate the underlying differences in brain structure between the two cultural/ethnic groups, we conducted a comparative study on education-matched right-handed young male adults (age = 22-29 years) from two cohorts, Han Chinese (n = 45) and Caucasians (n = 45), using high-dimensional structural magnetic resonance imaging (MRI) data. Using two well-validated imaging analysis techniques, surface-based morphometry (SBM) and voxel-based morphometry (VBM), we performed a comprehensive vertex-wise morphometric analysis of the brain structures between Chinese and Caucasian cohorts. We identified consistent significant between-group differences in cortical thickness, volume, and surface area in the frontal, temporal, parietal, occipital, and insular lobes as well as the cingulate cortices. The SBM analyses revealed that compared with Caucasians, the Chinese population showed larger cortical structures in the temporal and cingulate regions, and smaller structural measures in the frontal and parietal cortices. The VBM data of the same sample was well-aligned with the SBM findings. Our findings systematically revealed comprehensive brain structural differences between young male Chinese and Caucasians, and provided new neuroanatomical insights to the behavioral and functional distinctions in the two cultural/ethnic populations. © 2018 Wiley Periodicals, Inc.

Comparison and Analysis of Steel Frame Based on High Strength Column and Normal Strength Column

NASA Astrophysics Data System (ADS)

Liu, Taiyu; An, Yuwei

2018-01-01

The anti-seismic performance of high strength steel has restricted its industrialization in civil buildings. In order to study the influence of high strength steel column on frame structure, three models are designed through MIDAS/GEN finite element software. By comparing the seismic performance and economic performance of the three models, the three different structures are comprehensively evaluated to provide some references for the development of high strength steel in steel structure.

Larger Gray Matter Volume in the Basal Ganglia of Heavy Cannabis Users Detected by Voxel-Based Morphometry and Subcortical Volumetric Analysis.

PubMed

Moreno-Alcázar, Ana; Gonzalvo, Begoña; Canales-Rodríguez, Erick J; Blanco, Laura; Bachiller, Diana; Romaguera, Anna; Monté-Rubio, Gemma C; Roncero, Carlos; McKenna, Peter J; Pomarol-Clotet, Edith

2018-01-01

Background: Structural imaging studies of cannabis users have found evidence of both cortical and subcortical volume reductions, especially in cannabinoid receptor-rich regions such as the hippocampus and amygdala. However, the findings have not been consistent. In the present study, we examined a sample of adult heavy cannabis users without other substance abuse to determine whether long-term use is associated with brain structural changes, especially in the subcortical regions. Method: We compared the gray matter volume of 14 long-term, heavy cannabis users with non-using controls. To provide robust findings, we conducted two separate studies using two different MRI techniques. Each study used the same sample of cannabis users and a different control group, respectively. Both control groups were independent of each other. First, whole-brain voxel-based morphometry (VBM) was used to compare the cannabis users against 28 matched controls (HC1 group). Second, a volumetric analysis of subcortical regions was performed to assess differences between the cannabis users and a sample of 100 matched controls (HC2 group) obtained from a local database of healthy volunteers. Results: The VBM study revealed that, compared to the control group HC1, the cannabis users did not show cortical differences nor smaller volume in any subcortical structure but showed a cluster ( p < 0.001) of larger GM volume in the basal ganglia, involving the caudate, putamen, pallidum, and nucleus accumbens, bilaterally. The subcortical volumetric analysis revealed that, compared to the control group HC2, the cannabis users showed significantly larger volumes in the putamen ( p = 0.001) and pallidum ( p = 0.0015). Subtle trends, only significant at the uncorrected level, were also found in the caudate ( p = 0.05) and nucleus accumbens ( p = 0.047). Conclusions: This study does not support previous findings of hippocampal and/or amygdala structural changes in long-term, heavy cannabis users. It does, however, provide evidence of basal ganglia volume increases.

Fragmentation of the large subunit ribosomal RNA gene in oyster mitochondrial genomes.

PubMed

Milbury, Coren A; Lee, Jung C; Cannone, Jamie J; Gaffney, Patrick M; Gutell, Robin R

2010-09-02

Discontinuous genes have been observed in bacteria, archaea, and eukaryotic nuclei, mitochondria and chloroplasts. Gene discontinuity occurs in multiple forms: the two most frequent forms result from introns that are spliced out of the RNA and the resulting exons are spliced together to form a single transcript, and fragmented gene transcripts that are not covalently attached post-transcriptionally. Within the past few years, fragmented ribosomal RNA (rRNA) genes have been discovered in bilateral metazoan mitochondria, all within a group of related oysters. In this study, we have characterized this fragmentation with comparative analysis and experimentation. We present secondary structures, modeled using comparative sequence analysis of the discontinuous mitochondrial large subunit rRNA genes of the cupped oysters C. virginica, C. gigas, and C. hongkongensis. Comparative structure models for the large subunit rRNA in each of the three oyster species are generally similar to those for other bilateral metazoans. We also used RT-PCR and analyzed ESTs to determine if the two fragmented LSU rRNAs are spliced together. The two segments are transcribed separately, and not spliced together although they still form functional rRNAs and ribosomes. Although many examples of discontinuous ribosomal genes have been documented in bacteria and archaea, as well as the nuclei, chloroplasts, and mitochondria of eukaryotes, oysters are some of the first characterized examples of fragmented bilateral animal mitochondrial rRNA genes. The secondary structures of the oyster LSU rRNA fragments have been predicted on the basis of previous comparative metazoan mitochondrial LSU rRNA structure models.

Bem Sex Role Inventory Validation in the International Mobility in Aging Study.

PubMed

Ahmed, Tamer; Vafaei, Afshin; Belanger, Emmanuelle; Phillips, Susan P; Zunzunegui, Maria-Victoria

2016-09-01

This study investigated the measurement structure of the Bem Sex Role Inventory (BSRI) with different factor analysis methods. Most previous studies on validity applied exploratory factor analysis (EFA) to examine the BSRI. We aimed to assess the psychometric properties and construct validity of the 12-item short-form BSRI in a sample administered to 1,995 older adults from wave 1 of the International Mobility in Aging Study (IMIAS). We used Cronbach's alpha to assess internal consistency reliability and confirmatory factor analysis (CFA) to assess psychometric properties. EFA revealed a three-factor model, further confirmed by CFA and compared with the original two-factor structure model. Results revealed that a two-factor solution (instrumentality-expressiveness) has satisfactory construct validity and superior fit to data compared to the three-factor solution. The two-factor solution confirms expected gender differences in older adults. The 12-item BSRI provides a brief, psychometrically sound, and reliable instrument in international samples of older adults.

Microbial diversity in hummock and hollow soils of three wetlands on the Qinghai-Tibetan Plateau revealed by 16S rRNA pyrosequencing.

PubMed

Deng, Yongcui; Cui, Xiaoyong; Hernández, Marcela; Dumont, Marc G

2014-01-01

The wetlands of the Qinghai-Tibetan Plateau are believed to play an important role in global nutrient cycling, but the composition and diversity of microorganisms in this ecosystem are poorly characterized. An understanding of the effects of geography and microtopography on microbial populations will provide clues to the underlying mechanisms that structure microbial communities. In this study, we used pyrosequencing-based analysis of 16S rRNA gene sequences to assess and compare the composition of soil microbial communities present in hummock and hollow soils from three wetlands (Dangxiong, Hongyuan and Maduo) on the Qinghai-Tibetan Plateau, the world's highest plateau. A total of 36 bacterial phyla were detected. Proteobacteria (34.5% average relative abundance), Actinobacteria (17.3%) and Bacteroidetes (11%) had the highest relative abundances across all sites. Chloroflexi, Acidobacteria, Verrucomicrobia, Firmicutes, and Planctomycetes were also relatively abundant (1-10%). In addition, archaeal sequences belonging to Euryarchaea, Crenarchaea and Thaumarchaea were detected. Alphaproteobacteria sequences, especially of the order Rhodospirillales, were significantly more abundant in Maduo than Hongyuan and Dangxiong wetlands. Compared with Hongyuan soils, Dangxiong and Maduo had significantly higher relative abundances of Gammaproteobacteria sequences (mainly order Xanthomonadales). Hongyuan wetland had a relatively high abundance of methanogens (mainly genera Methanobacterium, Methanosarcina and Methanosaeta) and methanotrophs (mainly Methylocystis) compared with the other two wetlands. Principal coordinate analysis (PCoA) indicated that the microbial community structure differed between locations and microtopographies and canonical correspondence analysis indicated an association between microbial community structure and soil properties or geography. These insights into the microbial community structure and the main controlling factors in wetlands of the Qinghai-Tibetan Plateau provide a valuable background for further studies on biogeochemical processes in this distinct ecosystem.

Microbial Diversity in Hummock and Hollow Soils of Three Wetlands on the Qinghai-Tibetan Plateau Revealed by 16S rRNA Pyrosequencing

PubMed Central

Deng, Yongcui; Cui, Xiaoyong; Hernández, Marcela; Dumont, Marc G.

2014-01-01

The wetlands of the Qinghai-Tibetan Plateau are believed to play an important role in global nutrient cycling, but the composition and diversity of microorganisms in this ecosystem are poorly characterized. An understanding of the effects of geography and microtopography on microbial populations will provide clues to the underlying mechanisms that structure microbial communities. In this study, we used pyrosequencing-based analysis of 16S rRNA gene sequences to assess and compare the composition of soil microbial communities present in hummock and hollow soils from three wetlands (Dangxiong, Hongyuan and Maduo) on the Qinghai-Tibetan Plateau, the world’s highest plateau. A total of 36 bacterial phyla were detected. Proteobacteria (34.5% average relative abundance), Actinobacteria (17.3%) and Bacteroidetes (11%) had the highest relative abundances across all sites. Chloroflexi, Acidobacteria, Verrucomicrobia, Firmicutes, and Planctomycetes were also relatively abundant (1–10%). In addition, archaeal sequences belonging to Euryarchaea, Crenarchaea and Thaumarchaea were detected. Alphaproteobacteria sequences, especially of the order Rhodospirillales, were significantly more abundant in Maduo than Hongyuan and Dangxiong wetlands. Compared with Hongyuan soils, Dangxiong and Maduo had significantly higher relative abundances of Gammaproteobacteria sequences (mainly order Xanthomonadales). Hongyuan wetland had a relatively high abundance of methanogens (mainly genera Methanobacterium, Methanosarcina and Methanosaeta) and methanotrophs (mainly Methylocystis) compared with the other two wetlands. Principal coordinate analysis (PCoA) indicated that the microbial community structure differed between locations and microtopographies and canonical correspondence analysis indicated an association between microbial community structure and soil properties or geography. These insights into the microbial community structure and the main controlling factors in wetlands of the Qinghai-Tibetan Plateau provide a valuable background for further studies on biogeochemical processes in this distinct ecosystem. PMID:25078273

Graph theory analysis of cortical thickness networks in adolescents with d-transposition of the great arteries.

PubMed

Watson, Christopher G; Stopp, Christian; Newburger, Jane W; Rivkin, Michael J

2018-02-01

Adolescents with d-transposition of the great arteries (d-TGA) who had the arterial switch operation in infancy have been found to have structural brain differences compared to healthy controls. We used cortical thickness measurements obtained from structural brain MRI to determine group differences in global brain organization using a graph theoretical approach. Ninety-two d-TGA subjects and 49 controls were scanned using one of two identical 1.5-Tesla MRI systems. Mean cortical thickness was obtained from 34 regions per hemisphere using Freesurfer. A linear model was used for each brain region to adjust for subject age, sex, and scanning location. Structural connectivity for each group was inferred based on the presence of high inter-regional correlations of the linear model residuals, and binary connectivity matrices were created by thresholding over a range of correlation values for each group. Graph theory analysis was performed using packages in R. Permutation tests were performed to determine significance of between-group differences in global network measures. Within-group connectivity patterns were qualitatively different between groups. At lower network densities, controls had significantly more long-range connections. The location and number of hub regions differed between groups: controls had a greater number of hubs at most network densities. The control network had a significant rightward asymmetry compared to the d-TGA group at all network densities. Using graph theory analysis of cortical thickness correlations, we found differences in brain structural network organization among d-TGA adolescents compared to controls. These may be related to the white matter and gray matter differences previously found in this cohort, and in turn may be related to the cognitive deficits this cohort presents.

Comparative and Evolutionary Analysis of Grass Pollen Allergens Using Brachypodium distachyon as a Model System.

PubMed

Sharma, Akanksha; Sharma, Niharika; Bhalla, Prem; Singh, Mohan

2017-01-01

Comparative genomics have facilitated the mining of biological information from a genome sequence, through the detection of similarities and differences with genomes of closely or more distantly related species. By using such comparative approaches, knowledge can be transferred from the model to non-model organisms and insights can be gained in the structural and evolutionary patterns of specific genes. In the absence of sequenced genomes for allergenic grasses, this study was aimed at understanding the structure, organisation and expression profiles of grass pollen allergens using the genomic data from Brachypodium distachyon as it is phylogenetically related to the allergenic grasses. Combining genomic data with the anther RNA-Seq dataset revealed 24 pollen allergen genes belonging to eight allergen groups mapping on the five chromosomes in B. distachyon. High levels of anther-specific expression profiles were observed for the 24 identified putative allergen-encoding genes in Brachypodium. The genomic evidence suggests that gene encoding the group 5 allergen, the most potent trigger of hay fever and allergic asthma originated as a pollen specific orphan gene in a common grass ancestor of Brachypodium and Triticiae clades. Gene structure analysis showed that the putative allergen-encoding genes in Brachypodium either lack or contain reduced number of introns. Promoter analysis of the identified Brachypodium genes revealed the presence of specific cis-regulatory sequences likely responsible for high anther/pollen-specific expression. With the identification of putative allergen-encoding genes in Brachypodium, this study has also described some important plant gene families (e.g. expansin superfamily, EF-Hand family, profilins etc) for the first time in the model plant Brachypodium. Altogether, the present study provides new insights into structural characterization and evolution of pollen allergens and will further serve as a base for their functional characterization in related grass species.

A comparison of methods for evaluating structure during ship collisions

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

Ammerman, D.J.; Daidola, J.C.

1996-10-01

A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the {open_quotes}Tanker Structural Analysis for Minor Collisions{close_quotes} (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration ismore » given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs.« less

Conceptual Design and Structural Analysis of an Open Rotor Hybrid Wing Body Aircraft

NASA Technical Reports Server (NTRS)

Gern, Frank H.

2013-01-01

Through a recent NASA contract, Boeing Research and Technology in Huntington Beach, CA developed and optimized a conceptual design of an open rotor hybrid wing body aircraft (HWB). Open rotor engines offer a significant potential for fuel burn savings over turbofan engines, while the HWB configuration potentially allows to offset noise penalties through possible engine shielding. Researchers at NASA Langley converted the Boeing design to a FLOPS model which will be used to develop take-off and landing trajectories for community noise analyses. The FLOPS model was calibrated using Boeing data and shows good agreement with the original Boeing design. To complement Boeing s detailed aerodynamics and propulsion airframe integration work, a newly developed and validated conceptual structural analysis and optimization tool was used for a conceptual loads analysis and structural weights estimate. Structural optimization and weight calculation are based on a Nastran finite element model of the primary HWB structure, featuring centerbody, mid section, outboard wing, and aft body. Results for flight loads, deformations, wing weight, and centerbody weight are presented and compared to Boeing and FLOPS analyses.

Mode structure of a quantum cascade laser

NASA Astrophysics Data System (ADS)

Bogdanov, A. A.; Suris, R. A.

2011-03-01

We analyze the mode structure of a quantum cascade laser (QCL) cavity considering the surface plasmon-polariton modes and familiar modes of hollow resonator jointly, within a single model. We present a comprehensive mode structure analysis of the laser cavity, varying its geometric parameters and free electron concentration inside cavity layers within a wide range. Our analysis covers, in particular, the cases of metal-insulator-metal and insulator-metal-insulator waveguides. We discuss the phenomenon of negative dispersion for eigenmodes in detail and explain the nature of this phenomenon. We specify a waveguide parameters domain in which negative dispersion exists. The mode structure of QCL cavity is considered in the case of the anisotropic electrical properties of the waveguide materials. We show that anisotropy of the waveguide core results in propagation of Langmuir modes that are degenerated in the case of the isotropic core. Comparative analysis of optical losses due to free carrier absorption is presented for different modes within the frequency range from terahertz to ultraviolet frequencies.

Statistical power in parallel group point exposure studies with time-to-event outcomes: an empirical comparison of the performance of randomized controlled trials and the inverse probability of treatment weighting (IPTW) approach.

PubMed

Austin, Peter C; Schuster, Tibor; Platt, Robert W

2015-10-15

Estimating statistical power is an important component of the design of both randomized controlled trials (RCTs) and observational studies. Methods for estimating statistical power in RCTs have been well described and can be implemented simply. In observational studies, statistical methods must be used to remove the effects of confounding that can occur due to non-random treatment assignment. Inverse probability of treatment weighting (IPTW) using the propensity score is an attractive method for estimating the effects of treatment using observational data. However, sample size and power calculations have not been adequately described for these methods. We used an extensive series of Monte Carlo simulations to compare the statistical power of an IPTW analysis of an observational study with time-to-event outcomes with that of an analysis of a similarly-structured RCT. We examined the impact of four factors on the statistical power function: number of observed events, prevalence of treatment, the marginal hazard ratio, and the strength of the treatment-selection process. We found that, on average, an IPTW analysis had lower statistical power compared to an analysis of a similarly-structured RCT. The difference in statistical power increased as the magnitude of the treatment-selection model increased. The statistical power of an IPTW analysis tended to be lower than the statistical power of a similarly-structured RCT.

The top skin-associated genes: a comparative analysis of human and mouse skin transcriptomes.

PubMed

Gerber, Peter Arne; Buhren, Bettina Alexandra; Schrumpf, Holger; Homey, Bernhard; Zlotnik, Albert; Hevezi, Peter

2014-06-01

The mouse represents a key model system for the study of the physiology and biochemistry of skin. Comparison of skin between mouse and human is critical for interpretation and application of data from mouse experiments to human disease. Here, we review the current knowledge on structure and immunology of mouse and human skin. Moreover, we present a systematic comparison of human and mouse skin transcriptomes. To this end, we have recently used a genome-wide database of human gene expression to identify genes highly expressed in skin, with no, or limited expression elsewhere - human skin-associated genes (hSAGs). Analysis of our set of hSAGs allowed us to generate a comprehensive molecular characterization of healthy human skin. Here, we used a similar database to generate a list of mouse skin-associated genes (mSAGs). A comparative analysis between the top human (n=666) and mouse (n=873) skin-associated genes (SAGs) revealed a total of only 30.2% identity between the two lists. The majority of shared genes encode proteins that participate in structural and barrier functions. Analysis of the top functional annotation terms revealed an overlap for morphogenesis, cell adhesion, structure, and signal transduction. The results of this analysis, discussed in the context of published data, illustrate the diversity between the molecular make up of skin of both species and grants a probable explanation, why results generated in murine in vivo models often fail to translate into the human.

Hashin Failure Theory Based Damage Assessment Methodology of Composite Tidal Turbine Blades and Implications for the Blade Design

NASA Astrophysics Data System (ADS)

Yu, Guo-qing; Ren, Yi-ru; Zhang, Tian-tian; Xiao, Wan-shen; Jiang, Hong-yong

2018-04-01

A damage assessment methodology based on the Hashin failure theory for glass fiber reinforced polymer (GFRP) composite blade is proposed. The typical failure mechanisms including the fiber tension/compression and matrix tension/compression are considered to describe the damage behaviors. To give the flapwise and edgewise loading along the blade span, the Blade Element Momentum Theory (BEMT) is adopted. In conjunction with the hydrodynamic analysis, the structural analysis of the composite blade is cooperatively performed with the Hashin damage model. The damage characteristics of the composite blade, under normal and extreme operational conditions, are comparatively analyzed. Numerical results demonstrate that the matrix tension damage is the most significant failure mode which occurs in the mid-span of the blade. The blade internal configurations including the box-beam, Ibeam, left-C beam and right-C beam are compared and analyzed. The GFRP and carbon fiber reinforced polymer (CFRP) are considered and combined. Numerical results show that the I-beam is the best structural type. The structural performance of composite tidal turbine blades could be improved by combining the GFRP and CFRP structure considering the damage and cost-effectiveness synthetically.

Comprehensive comparative analysis and identification of RNA-binding protein domains: multi-class classification and feature selection.

PubMed

Jahandideh, Samad; Srinivasasainagendra, Vinodh; Zhi, Degui

2012-11-07

RNA-protein interaction plays an important role in various cellular processes, such as protein synthesis, gene regulation, post-transcriptional gene regulation, alternative splicing, and infections by RNA viruses. In this study, using Gene Ontology Annotated (GOA) and Structural Classification of Proteins (SCOP) databases an automatic procedure was designed to capture structurally solved RNA-binding protein domains in different subclasses. Subsequently, we applied tuned multi-class SVM (TMCSVM), Random Forest (RF), and multi-class ℓ1/ℓq-regularized logistic regression (MCRLR) for analysis and classifying RNA-binding protein domains based on a comprehensive set of sequence and structural features. In this study, we compared prediction accuracy of three different state-of-the-art predictor methods. From our results, TMCSVM outperforms the other methods and suggests the potential of TMCSVM as a useful tool for facilitating the multi-class prediction of RNA-binding protein domains. On the other hand, MCRLR by elucidating importance of features for their contribution in predictive accuracy of RNA-binding protein domains subclasses, helps us to provide some biological insights into the roles of sequences and structures in protein-RNA interactions.

Engine System Loads Analysis Compared to Hot-Fire Data

NASA Technical Reports Server (NTRS)

Frady, Gregory P.; Jennings, John M.; Mims, Katherine; Brunty, Joseph; Christensen, Eric R.; McConnaughey, Paul R. (Technical Monitor)

2002-01-01

Early implementation of structural dynamics finite element analyses for calculation of design loads is considered common design practice for high volume manufacturing industries such as automotive and aeronautical industries. However with the rarity of rocket engine development programs starts, these tools are relatively new to the design of rocket engines. In the NASA MC-1 engine program, the focus was to reduce the cost-to-weight ratio. The techniques for structural dynamics analysis practices, were tailored in this program to meet both production and structural design goals. Perturbation of rocket engine design parameters resulted in a number of MC-1 load cycles necessary to characterize the impact due to mass and stiffness changes. Evolution of loads and load extraction methodologies, parametric considerations and a discussion of load path sensitivities are important during the design and integration of a new engine system. During the final stages of development, it is important to verify the results of an engine system model to determine the validity of the results. During the final stages of the MC-1 program, hot-fire test results were obtained and compared to the structural design loads calculated by the engine system model. These comparisons are presented in this paper.

[Study on Abnormal Topological Properties of Structural Brain Networks of Patients with Depression Comorbid with Anxiety].

PubMed

Wu, Xiuyong; Wu, Xiaoming; Peng, Hongjun; Ning, Yuping; Wu, Kai

2016-06-01

This paper is aimed to analyze the topological properties of structural brain networks in depressive patients with and without anxiety and to explore the neuropath logical mechanisms of depression comorbid with anxiety.Diffusion tensor imaging and deterministic tractography were applied to map the white matter structural networks.We collected 20 depressive patients with anxiety(DPA),18 depressive patients without anxiety(DP),and 28 normal controls(NC)as comparative groups.The global and nodal properties of the structural brain networks in the three groups were analyzed with graph theoretical methods.The result showed that1 the structural brain networks in three groups showed small-world properties and highly connected global hubs predominately from association cortices;2DP group showed lower local efficiency and global efficiency compared to NC group,whereas DPA group showed higher local efficiency and global efficiency compared to NC group;3significant differences of network properties(clustering coefficient,characteristic path lengths,local efficiency,global efficiency)were found between DPA and DP groups;4DP group showed significant changes of nodal efficiency in the brain areas primarily in the temporal lobe and bilateral frontal gyrus,compared to DPA and NC groups.The analysis indicated that the DP and DPA groups showed nodal properties of the structural brain networks,compared to NC group.Moreover,the two diseased groups indicated an opposite trend in the network properties.The results of this study may provide a new imaging index for clinical diagnosis for depression comorbid with anxiety.

Dynamic Sliding Analysis of a Gravity Dam with Fluid-Structure-Foundation Interaction Using Finite Elements and Newmark's Sliding Block Analysis

NASA Astrophysics Data System (ADS)

Goldgruber, Markus; Shahriari, Shervin; Zenz, Gerald

2015-11-01

To reduce the natural hazard risks—due to, e.g., earthquake excitation—seismic safety assessments are carried out. Especially under severe loading, due to maximum credible or the so-called safety evaluation earthquake, critical infrastructure, as these are high dams, must not fail. However, under high loading local failure might be allowed as long as the entire structure does not collapse. Hence, for a dam, the loss of sliding stability during a short time period might be acceptable if the cumulative displacements after an event are below an acceptable value. This performance is not only valid for gravity dams but also for rock blocks as sliding is even more imminent in zones with higher seismic activity. Sliding modes cannot only occur in the dam-foundation contact, but also in sliding planes formed due to geological conditions. This work compares the qualitative possible and critical displacements for two methods, the well-known Newmark's sliding block analysis and a Fluid-Foundation-Structure Interaction simulation with the finite elements method. The results comparison of the maximum displacements at the end of the seismic event of the two methods depicts that for high friction angles, they are fairly close. For low friction angles, the results are differing more. The conclusion is that the commonly used Newmark's sliding block analysis and the finite elements simulation are only comparable for high friction angles, where this factor dominates the behaviour of the structure. Worth to mention is that the proposed simulation methods are also applicable to dynamic rock wedge problems and not only to dams.

Earthen berm noise reduction analysis.

DOT National Transportation Integrated Search

2016-10-01

Earthen berms that mitigate noise are less expensive to construct and maintain than structural concrete and fiberglass noise walls, but there is a limited amount of available information about the comparative effectiveness of earthen berms, especiall...

Structural characterization and mechanical performance of calcium phosphate scaffolds and natural bones: a comparative study.

PubMed

Fuentes, Elena; Sáenz de Viteri, Virginia; Igartua, Amaya; Martinetti, Roberta; Dolcini, Laura; Barandika, Gotzone

2010-01-01

The knowledge of the mechanical response of bones and their substitutes is pertinent to numerous medical problems. Understanding the effects of mechanical influence on the body is the first step toward developing innovative treatment and rehabilitation concepts for orthopedic disorders. This was a comparative study of 5 synthetic scaffolds based on porous calcium phosphates and natural bones, with regard to their microstructural, chemical, and mechanical characterizations. The structural and chemical characterizations of the scaffolds were examined by means of X-ray diffraction, scanning electron microscopy, and X-ray spectroscopy analysis. The mechanical characterization of bones and bone graft biomaterials was carried out through compression tests using samples with noncomplex geometry. Analysis of the chemical composition, surface features, porosity, and compressive strength indicates that hydroxyapatite-based materials and trabecular bone have similar properties.

Correcting the planar perspective projection in geometric structures applied to forensic facial analysis.

PubMed

Baldasso, Rosane Pérez; Tinoco, Rachel Lima Ribeiro; Vieira, Cristina Saft Matos; Fernandes, Mário Marques; Oliveira, Rogério Nogueira

2016-10-01

The process of forensic facial analysis may be founded on several scientific techniques and imaging modalities, such as digital signal processing, photogrammetry and craniofacial anthropometry. However, one of the main limitations in this analysis is the comparison of images acquired with different angles of incidence. The present study aimed to explore a potential approach for the correction of the planar perspective projection (PPP) in geometric structures traced from the human face. A technique for the correction of the PPP was calibrated within photographs of two geometric structures obtained with angles of incidence distorted in 80°, 60° and 45°. The technique was performed using ImageJ ® 1.46r (National Institutes of Health, Bethesda, Maryland). The corrected images were compared with photographs of the same object obtained in 90° (reference). In a second step, the technique was validated in a digital human face created using MakeHuman ® 1.0.2 (Free Software Foundation, Massachusetts, EUA) and Blender ® 2.75 (Blender ® Foundation, Amsterdam, Nederland) software packages. The images registered with angular distortion presented a gradual decrease in height when compared to the reference. The digital technique for the correction of the PPP is a valuable tool for forensic applications using photographic imaging modalities, such as forensic facial analysis. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

A structural comparison of 'real' and 'model' calmodulin clarified allosteric interactions regulating domain motion.

PubMed

Shimoyama, Hiromitsu

2018-05-07

Calmodulin (CaM) is a multifunctional calcium-binding protein, which regulates various biochemical processes. CaM acts via structural changes and complex forming with its target enzymes. CaM has two globular domains (N-lobe and C-lobe) connected by a long linker region. Upon calcium binding, the N-lobe and C-lobe undergo local conformational changes, after that, entire CaM wraps the target enzyme through a large conformational change. However, the regulation mechanism, such as allosteric interactions regulating the conformational changes, is still unclear. In order to clarify the allosteric interactions, in this study, experimentally obtained 'real' structures are compared to 'model' structures lacking the allosteric interactions. As the allosteric interactions would be absent in calcium-free CaM (apo-CaM), allostery-eliminated calcium-bound CaM (holo-CaM) models were constructed by combining the apo-CaM's linker and the holo-CaM's N- and C-lobe. Before the comparison, the 'real' and 'model' structures were clustered and cluster-cluster relationship was determined by a principal component analysis. The structures were compared based on the relationship, then, a distance map and a contact probability analysis clarified that the inter-domain motion is regulated by several groups of inter-domain contacting residue pairs. The analyses suggested that these residues cause inter-domain translation and rotation, and as a consequence, the motion encourage structural diversity. The resultant diversity would contribute to the functional versatility of CaM.

A unified framework for group independent component analysis for multi-subject fMRI data

PubMed Central

Guo, Ying; Pagnoni, Giuseppe

2008-01-01

Independent component analysis (ICA) is becoming increasingly popular for analyzing functional magnetic resonance imaging (fMRI) data. While ICA has been successfully applied to single-subject analysis, the extension of ICA to group inferences is not straightforward and remains an active topic of research. Current group ICA models, such as the GIFT (Calhoun et al., 2001) and tensor PICA (Beckmann and Smith, 2005), make different assumptions about the underlying structure of the group spatio-temporal processes and are thus estimated using algorithms tailored for the assumed structure, potentially leading to diverging results. To our knowledge, there are currently no methods for assessing the validity of different model structures in real fMRI data and selecting the most appropriate one among various choices. In this paper, we propose a unified framework for estimating and comparing group ICA models with varying spatio-temporal structures. We consider a class of group ICA models that can accommodate different group structures and include existing models, such as the GIFT and tensor PICA, as special cases. We propose a maximum likelihood (ML) approach with a modified Expectation-Maximization (EM) algorithm for the estimation of the proposed class of models. Likelihood ratio tests (LRT) are presented to compare between different group ICA models. The LRT can be used to perform model comparison and selection, to assess the goodness-of-fit of a model in a particular data set, and to test group differences in the fMRI signal time courses between subject subgroups. Simulation studies are conducted to evaluate the performance of the proposed method under varying structures of group spatio-temporal processes. We illustrate our group ICA method using data from an fMRI study that investigates changes in neural processing associated with the regular practice of Zen meditation. PMID:18650105

Stress analysis on passenger deck due to modification from passenger ship to vehicle-carrying ship

NASA Astrophysics Data System (ADS)

Zubaydi, A.; Sujiatanti, S. H.; Hariyanto, T. R.

2018-03-01

Stress is a basic concept in learning about material mechanism. The main focus that needs to be brought to attention in analyzing stress is strength, which is the structural capacity to carry or distribute loads. The structural capacity not only measured by comparing the maximum stress with the material’s yield strength but also with the permissible stress required by the Indonesian Classification Bureau (BKI), which certainly makes it much safer. This final project analyzes stress in passenger deck that experiences modification due to load changes, from passenger load to vehicle one, carrying: 6-wheels truck with maximum weight of 14 tons, a passenger car with maximum weight of 3.5 tons, and a motorcycle with maximum weight of 0.4 tons. The deck structure is modelled using finite element software. The boundary conditions given to the structural model are fix and simple constraint. The load that works on this deck is the deck load which comes from the vehicles on deck with three vehicles’ arrangement plans. After that, software modelling is conducted for analysis purpose. Analysis result shows a variation of maximum stress that occurs i.e. 135 N/mm2, 133 N/mm2, and 152 N/mm2. Those maximum stresses will not affect the structure of passenger deck’s because the maximum stress that occurs indicates smaller value compared to the Indonesian Classification Bureau’s permissible stress (175 N/mm2) as well as the material’s yield strength (235 N/mm2). Thus, the structural strength of passenger deck is shown to be capable of carrying the weight of vehicles in accordance with the three vehicles’ arrangement plans.

Error analysis of filtering operations in pixel-duplicated images of diabetic retinopathy

NASA Astrophysics Data System (ADS)

Mehrubeoglu, Mehrube; McLauchlan, Lifford

2010-08-01

In this paper, diabetic retinopathy is chosen for a sample target image to demonstrate the effectiveness of image enlargement through pixel duplication in identifying regions of interest. Pixel duplication is presented as a simpler alternative to data interpolation techniques for detecting small structures in the images. A comparative analysis is performed on different image processing schemes applied to both original and pixel-duplicated images. Structures of interest are detected and and classification parameters optimized for minimum false positive detection in the original and enlarged retinal pictures. The error analysis demonstrates the advantages as well as shortcomings of pixel duplication in image enhancement when spatial averaging operations (smoothing filters) are also applied.

Description of textures by a structural analysis.

PubMed

Tomita, F; Shirai, Y; Tsuji, S

1982-02-01

A structural analysis system for describing natural textures is introduced. The analyzer automatically extracts the texture elements in an input image, measures their properties, classifies them into some distinctive classes (one ``ground'' class and some ``figure'' classes), and computes the distributions of the gray level, the shape, and the placement of the texture elements in each class. These descriptions are used for classification of texture images. An analysis-by-synthesis method for evaluating texture analyzers is also presented. We propose a synthesizer which generates a texture image based on the descriptions. By comparing the reconstructed image with the original one, we can see what information is preserved and what is lost in the descriptions.

Enabling comparative effectiveness research with informatics: show me the data!

PubMed

Safdar, Nabile M; Siegel, Eliot; Erickson, Bradley J; Nagy, Paul

2011-09-01

Both outcomes researchers and informaticians are concerned with information and data. As such, some of the central challenges to conducting successful comparative effectiveness research can be addressed with informatics solutions. Specific informatics solutions which address how data in comparative effectiveness research are enriched, stored, shared, and analyzed are reviewed. Imaging data can be made more quantitative, uniform, and structured for researchers through the use of lexicons and structured reporting. Secure and scalable storage of research data is enabled through data warehouses and cloud services. There are a number of national efforts to help researchers share research data and analysis tools. There is a diverse arsenal of informatics tools designed to meet the needs of comparative effective researchers. Copyright © 2011 AUR. Published by Elsevier Inc. All rights reserved.

Image quality of mixed convolution kernel in thoracic computed tomography.

PubMed

Neubauer, Jakob; Spira, Eva Maria; Strube, Juliane; Langer, Mathias; Voss, Christian; Kotter, Elmar

2016-11-01

The mixed convolution kernel alters his properties geographically according to the depicted organ structure, especially for the lung. Therefore, we compared the image quality of the mixed convolution kernel to standard soft and hard kernel reconstructions for different organ structures in thoracic computed tomography (CT) images.Our Ethics Committee approved this prospective study. In total, 31 patients who underwent contrast-enhanced thoracic CT studies were included after informed consent. Axial reconstructions were performed with hard, soft, and mixed convolution kernel. Three independent and blinded observers rated the image quality according to the European Guidelines for Quality Criteria of Thoracic CT for 13 organ structures. The observers rated the depiction of the structures in all reconstructions on a 5-point Likert scale. Statistical analysis was performed with the Friedman Test and post hoc analysis with the Wilcoxon rank-sum test.Compared to the soft convolution kernel, the mixed convolution kernel was rated with a higher image quality for lung parenchyma, segmental bronchi, and the border between the pleura and the thoracic wall (P < 0.03). Compared to the hard convolution kernel, the mixed convolution kernel was rated with a higher image quality for aorta, anterior mediastinal structures, paratracheal soft tissue, hilar lymph nodes, esophagus, pleuromediastinal border, large and medium sized pulmonary vessels and abdomen (P < 0.004) but a lower image quality for trachea, segmental bronchi, lung parenchyma, and skeleton (P < 0.001).The mixed convolution kernel cannot fully substitute the standard CT reconstructions. Hard and soft convolution kernel reconstructions still seem to be mandatory for thoracic CT.

CAMBerVis: visualization software to support comparative analysis of multiple bacterial strains.

PubMed

Woźniak, Michał; Wong, Limsoon; Tiuryn, Jerzy

2011-12-01

A number of inconsistencies in genome annotations are documented among bacterial strains. Visualization of the differences may help biologists to make correct decisions in spurious cases. We have developed a visualization tool, CAMBerVis, to support comparative analysis of multiple bacterial strains. The software manages simultaneous visualization of multiple bacterial genomes, enabling visual analysis focused on genome structure annotations. The CAMBerVis software is freely available at the project website: http://bioputer.mimuw.edu.pl/camber. Input datasets for Mycobacterium tuberculosis and Staphylocacus aureus are integrated with the software as examples. m.wozniak@mimuw.edu.pl Supplementary data are available at Bioinformatics online.

From Turkey to Russia with Love: A Comparative Study of Higher Education Policy Strategies in Light of Ongoing Reforms

ERIC Educational Resources Information Center

Gazizova, Alfiya

2012-01-01

The article presents a comparative analysis of Turkish and Russian higher education sector development, focusing upon private-state partnership in the academic sphere, the role of universities in contemporary life, and their integration into present-day European structures. The author describes prospects, constructive ideas, and six strategies in…

Differences in the Organisation of Apprenticeship in Europe: Findings of a Comparative Evaluation Study

ERIC Educational Resources Information Center

Rauner, Felix; Wittig, Wolfgang

2010-01-01

This article presents a comparative analysis of governance structures in the dual vocational education and training (VET) systems of Austria, Denmark, Germany and Switzerland. First a theoretical framework for the classification of plural systems such as dual apprenticeship training is discussed. It is argued that governance in VET can be…

A Comparative Analysis of the Wages of Hispanic, Black, and Anglo Men.

ERIC Educational Resources Information Center

Reimers, Cordelia

This paper details the factors contributing to the wage structure of Hispanic men and compares the wages of Black and Anglo men. The major finding is that controlling for differences in observable personal characteristics--such as education and work experience--substantially reduces the wage differences between Hispanics and Anglos. For example,…

Advantages of Thesaurus Representation Using the Simple Knowledge Organization System (SKOS) Compared with Proposed Alternatives

ERIC Educational Resources Information Center

Pastor-Sanchez, Juan-Antonio; Martinez Mendez, Francisco Javier; Rodriguez-Munoz, Jose Vicente

2009-01-01

Introduction: This paper presents an analysis of the Simple Knowledge Organization System (SKOS) compared with other alternatives for thesaurus representation in the Semantic Web. Method: Based on functional and structural changes of thesauri, provides an overview of the current context in which lexical paradigm is abandoned in favour of the…

How Social Relations and Structures can Produce Happiness and Unhappiness: An International Comparative Analysis

ERIC Educational Resources Information Center

Haller, Max; Hadler, Markus

2006-01-01

In this paper, subjective well being, as measured by survey questions on happiness and life satisfaction, is investigated from a sociological-comparative point of view. The central thesis is that happiness and satisfaction must be understood as the outcome of an interaction process between individual characteristics and aspirations on the one…

Interdomain Hydrophobic Interactions Modulate the Thermostability of Microbial Esterases from the Hormone-Sensitive Lipase Family*

PubMed Central

Li, Ping-Yi; Chen, Xiu-Lan; Ji, Peng; Li, Chun-Yang; Wang, Peng; Zhang, Yi; Xie, Bin-Bin; Qin, Qi-Long; Su, Hai-Nan; Zhou, Bai-Cheng; Zhang, Yu-Zhong; Zhang, Xi-Ying

2015-01-01

Microbial hormone-sensitive lipases (HSLs) contain a CAP domain and a catalytic domain. However, it remains unclear how the CAP domain interacts with the catalytic domain to maintain the stability of microbial HSLs. Here, we isolated an HSL esterase, E40, from a marine sedimental metagenomic library. E40 exhibited the maximal activity at 45 °C and was quite thermolabile, with a half-life of only 2 min at 40 °C, which may be an adaptation of E40 to the permanently cold sediment environment. The structure of E40 was solved to study its thermolability. Structural analysis showed that E40 lacks the interdomain hydrophobic interactions between loop 1 of the CAP domain and α7 of the catalytic domain compared with its thermostable homologs. Mutational analysis showed that the introduction of hydrophobic residues Trp202 and Phe203 in α7 significantly improved E40 stability and that a further introduction of hydrophobic residues in loop 1 made E40 more thermostable because of the formation of interdomain hydrophobic interactions. Altogether, the results indicate that the absence of interdomain hydrophobic interactions between loop 1 and α7 leads to the thermolability of E40. In addition, a comparative analysis of the structures of E40 and other thermolabile and thermostable HSLs suggests that the interdomain hydrophobic interactions between loop 1 and α7 are a key element for the thermostability of microbial HSLs. Therefore, this study not only illustrates the structural element leading to the thermolability of E40 but also reveals a structural determinant for HSL thermostability. PMID:25771540

New families of human regulatory RNA structures identified by comparative analysis of vertebrate genomes.

PubMed

Parker, Brian J; Moltke, Ida; Roth, Adam; Washietl, Stefan; Wen, Jiayu; Kellis, Manolis; Breaker, Ronald; Pedersen, Jakob Skou

2011-11-01

Regulatory RNA structures are often members of families with multiple paralogous instances across the genome. Family members share functional and structural properties, which allow them to be studied as a whole, facilitating both bioinformatic and experimental characterization. We have developed a comparative method, EvoFam, for genome-wide identification of families of regulatory RNA structures, based on primary sequence and secondary structure similarity. We apply EvoFam to a 41-way genomic vertebrate alignment. Genome-wide, we identify 220 human, high-confidence families outside protein-coding regions comprising 725 individual structures, including 48 families with known structural RNA elements. Known families identified include both noncoding RNAs, e.g., miRNAs and the recently identified MALAT1/MEN β lincRNA family; and cis-regulatory structures, e.g., iron-responsive elements. We also identify tens of new families supported by strong evolutionary evidence and other statistical evidence, such as GO term enrichments. For some of these, detailed analysis has led to the formulation of specific functional hypotheses. Examples include two hypothesized auto-regulatory feedback mechanisms: one involving six long hairpins in the 3'-UTR of MAT2A, a key metabolic gene that produces the primary human methyl donor S-adenosylmethionine; the other involving a tRNA-like structure in the intron of the tRNA maturation gene POP1. We experimentally validate the predicted MAT2A structures. Finally, we identify potential new regulatory networks, including large families of short hairpins enriched in immunity-related genes, e.g., TNF, FOS, and CTLA4, which include known transcript destabilizing elements. Our findings exemplify the diversity of post-transcriptional regulation and provide a resource for further characterization of new regulatory mechanisms and families of noncoding RNAs.

A replication of a factor analysis of motivations for trapping

USGS Publications Warehouse

Schroeder, Susan; Fulton, David C.

2015-01-01

Using a 2013 sample of Minnesota trappers, we employed confirmatory factor analysis to replicate an exploratory factor analysis of trapping motivations conducted by Daigle, Muth, Zwick, and Glass (1998).  We employed the same 25 items used by Daigle et al. and tested the same five-factor structure using a recent sample of Minnesota trappers. We also compared motivations in our sample to those reported by Daigle et el.

[Comparative analysis of clustered regularly interspaced short palindromic repeats (CRISPRs) loci in the genomes of halophilic archaea].

PubMed

Zhang, Fan; Zhang, Bing; Xiang, Hua; Hu, Songnian

2009-11-01

Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) is a widespread system that provides acquired resistance against phages in bacteria and archaea. Here we aim to genome-widely analyze the CRISPR in extreme halophilic archaea, of which the whole genome sequences are available at present time. We used bioinformatics methods including alignment, conservation analysis, GC content and RNA structure prediction to analyze the CRISPR structures of 7 haloarchaeal genomes. We identified the CRISPR structures in 5 halophilic archaea and revealed a conserved palindromic motif in the flanking regions of these CRISPR structures. In addition, we found that the repeat sequences of large CRISPR structures in halophilic archaea were greatly conserved, and two types of predicted RNA secondary structures derived from the repeat sequences were likely determined by the fourth base of the repeat sequence. Our results support the proposal that the leader sequence may function as recognition site by having palindromic structures in flanking regions, and the stem-loop secondary structure formed by repeat sequences may function in mediating the interaction between foreign genetic elements and CAS-encoded proteins.

Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation.

PubMed

Dutta, Achintya Kumar; Dar, Manzoor; Vaval, Nayana; Pal, Sourav

2014-02-27

We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOX chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.

In-situ and real-time growth observation of high-quality protein crystals under quasi-microgravity on earth.

PubMed

Nakamura, Akira; Ohtsuka, Jun; Kashiwagi, Tatsuki; Numoto, Nobutaka; Hirota, Noriyuki; Ode, Takahiro; Okada, Hidehiko; Nagata, Koji; Kiyohara, Motosuke; Suzuki, Ei-Ichiro; Kita, Akiko; Wada, Hitoshi; Tanokura, Masaru

2016-02-26

Precise protein structure determination provides significant information on life science research, although high-quality crystals are not easily obtained. We developed a system for producing high-quality protein crystals with high throughput. Using this system, gravity-controlled crystallization are made possible by a magnetic microgravity environment. In addition, in-situ and real-time observation and time-lapse imaging of crystal growth are feasible for over 200 solution samples independently. In this paper, we also report results of crystallization experiments for two protein samples. Crystals grown in the system exhibited magnetic orientation and showed higher and more homogeneous quality compared with the control crystals. The structural analysis reveals that making use of the magnetic microgravity during the crystallization process helps us to build a well-refined protein structure model, which has no significant structural differences with a control structure. Therefore, the system contributes to improvement in efficiency of structural analysis for "difficult" proteins, such as membrane proteins and supermolecular complexes.

Correlation between the sub-structure parameters and the manufacturing technologies of metal threads in historical textiles using X-ray line profile analysis

NASA Astrophysics Data System (ADS)

Csiszár, Gábor; Ungár, Tamás; Járó, Márta

2013-06-01

Micro-structure can talk when documentation is missing. In ancient Roman or medieval periods, kings, queens, or just rich people decorated their clothes or even their horse covers richly with miniature jewels or metal threads. The origin or the fabrication techniques of these ancient threads is often unknown. Thirteen thread samples made of gold or gilt silver manufactured during the last sixteen hundred years are investigated for the micro-structure in terms of dislocation density, crystallite size, and planar defects. In a few cases, these features are compared with sub-structure of similar metallic threads prepared in modern, twentieth century workshops. The sub-structure is determined by X-ray line profile analysis, using high resolution diffractograms with negligible instrumental broadening. On the basis of the sub-structure parameters, we attempt to assess the metal-threads manufacturing procedures on samples stemming from the fourth century A.D. until now.

Development of an Aeroelastic Modeling Capability for Transient Nozzle Side Load Analysis

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Zhao, Xiang; Zhang, Sijun; Chen, Yen-Sen

2013-01-01

Lateral nozzle forces are known to cause severe structural damage to any new rocket engine in development. Currently there is no fully coupled computational tool to analyze this fluid/structure interaction process. The objective of this study was to develop a fully coupled aeroelastic modeling capability to describe the fluid/structure interaction process during the transient nozzle operations. The aeroelastic model composes of three components: the computational fluid dynamics component based on an unstructured-grid, pressure-based computational fluid dynamics formulation, the computational structural dynamics component developed in the framework of modal analysis, and the fluid-structural interface component. The developed aeroelastic model was applied to the transient nozzle startup process of the Space Shuttle Main Engine at sea level. The computed nozzle side loads and the axial nozzle wall pressure profiles from the aeroelastic nozzle are compared with those of the published rigid nozzle results, and the impact of the fluid/structure interaction on nozzle side loads is interrogated and presented.

Probabilistic analysis of a materially nonlinear structure

NASA Technical Reports Server (NTRS)

Millwater, H. R.; Wu, Y.-T.; Fossum, A. F.

1990-01-01

A probabilistic finite element program is used to perform probabilistic analysis of a materially nonlinear structure. The program used in this study is NESSUS (Numerical Evaluation of Stochastic Structure Under Stress), under development at Southwest Research Institute. The cumulative distribution function (CDF) of the radial stress of a thick-walled cylinder under internal pressure is computed and compared with the analytical solution. In addition, sensitivity factors showing the relative importance of the input random variables are calculated. Significant plasticity is present in this problem and has a pronounced effect on the probabilistic results. The random input variables are the material yield stress and internal pressure with Weibull and normal distributions, respectively. The results verify the ability of NESSUS to compute the CDF and sensitivity factors of a materially nonlinear structure. In addition, the ability of the Advanced Mean Value (AMV) procedure to assess the probabilistic behavior of structures which exhibit a highly nonlinear response is shown. Thus, the AMV procedure can be applied with confidence to other structures which exhibit nonlinear behavior.

Thermal-structural modeling of polymer Bragg grating waveguides illuminated by a light emitting diode.

PubMed

Joon Kim, Kyoung; Bar-Cohen, Avram; Han, Bongtae

2012-02-20

This study reports both analytical and numerical thermal-structural models of polymer Bragg grating (PBG) waveguides illuminated by a light emitting diode (LED). A polymethyl methacrylate (PMMA) Bragg grating (BG) waveguide is chosen as an analysis vehicle to explore parametric effects of incident optical powers and substrate materials on the thermal-structural behavior of the BG. Analytical models are verified by comparing analytically predicted average excess temperatures, and thermally induced axial strains and stresses with numerical predictions. A parametric study demonstrates that the PMMA substrate induces more adverse effects, such as higher excess temperatures, complex axial temperature profiles, and greater and more complicated thermally induced strains in the BG compared with the Si substrate. © 2012 Optical Society of America

Structural analysis of graphene and h-BN: A molecular dynamics approach

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

Thomas, Siby; Ajith, K. M., E-mail: ajith@nitk.ac.in; Valsakumar, M. C.

2016-05-06

Classical molecular dynamics simulation is employed to analyze pair correlations in graphene and h-BN at various temperatures to explore the integrity of their respective structures. As the temperature increases, the height fluctuations in the out-of-plane direction of both graphene and h-BN are found to increase. The positional spread of atoms also increases with temperature. Thus the amplitude of the peak positions in the radial distribution function (RDF) decreases with temperature. It is found that FWHM of peaks in the RDF of h-BN is smaller as compared to those of graphene which implies that the structure of h-BN is more robustmore » as compared to that of graphene with respect to their respective empirical potential.« less

Approximation methods for combined thermal/structural design

NASA Technical Reports Server (NTRS)

Haftka, R. T.; Shore, C. P.

1979-01-01

Two approximation concepts for combined thermal/structural design are evaluated. The first concept is an approximate thermal analysis based on the first derivatives of structural temperatures with respect to design variables. Two commonly used first-order Taylor series expansions are examined. The direct and reciprocal expansions are special members of a general family of approximations, and for some conditions other members of that family of approximations are more accurate. Several examples are used to compare the accuracy of the different expansions. The second approximation concept is the use of critical time points for combined thermal and stress analyses of structures with transient loading conditions. Significant time savings are realized by identifying critical time points and performing the stress analysis for those points only. The design of an insulated panel which is exposed to transient heating conditions is discussed.

Anomalous subcortical morphology in boys, but not girls, with ADHD compared to typically developing controls and correlates with emotion dysregulation

PubMed Central

Crocetti, Deana; Mostofsky, Stewart H.; Miller, Michael I.; Rosch, Keri S.

2017-01-01

There has been limited investigation of volume and shape difference in subcortical structures in children with ADHD and a paucity of examination of the influence of sex on these findings. The objective of this study was to examine morphology (volume and shape) of subcortical structures and their association with emotion dysregulation (ED) in girls and boys with ADHD as compared to their typically-developing (TD) counterparts. Participants included 218 children ages 8-12 years old with and without DSM-IV ADHD. Structural magnetic resonance images were obtained, and shape analyses were conducted using large deformation diffeomorphic metric mapping (LDDMM). Compared to TD boys, boys with ADHD showed reduced volumes in the bilateral globus pallidus and amygdala. There were no volumetric differences in any structure between ADHD and TD girls. Shape analysis revealed localized compressions within the globus pallidus, putamen and amygdala in ADHD boys relative to TD boys, as well as significant correlations between increased ED and unique subregion expansion in right globus pallidus, putamen, and right amygdala. Our findings suggest a sexually dimorphic pattern of differences in subcortical structures in children with ADHD compared to TD children, and a possible neurobiological mechanism by which boys with ADHD demonstrate increased difficulties with ED. PMID:28104573

Integral finite element analysis of turntable bearing with flexible rings

NASA Astrophysics Data System (ADS)

Deng, Biao; Liu, Yunfei; Guo, Yuan; Tang, Shengjin; Su, Wenbin; Lei, Zhufeng; Wang, Pengcheng

2018-03-01

This paper suggests a method to calculate the internal load distribution and contact stress of the thrust angular contact ball turntable bearing by FEA. The influence of the stiffness of the bearing structure and the plastic deformation of contact area on the internal load distribution and contact stress of the bearing is considered. In this method, the load-deformation relationship of the rolling elements is determined by the finite element contact analysis of a single rolling element and the raceway. Based on this, the nonlinear contact between the rolling elements and the inner and outer ring raceways is same as a nonlinear compression spring and bearing integral finite element analysis model including support structure was established. The effects of structural deformation and plastic deformation on the built-in stress distribution of slewing bearing are investigated on basis of comparing the consequences of load distribution, inner and outer ring stress, contact stress and other finite element analysis results with the traditional bearing theory, which has guiding function for improving the design of slewing bearing.

Ray propagation path analysis of acousto-ultrasonic signals in composites

NASA Technical Reports Server (NTRS)

Kautz, Harold E.

1987-01-01

The most important result was the demonstration that acousto-ultrasonic (AU) energy introduced into a laminated graphite/resin propagates by two modes through the structure. The first mode, along the graphite fibers, is the faster. The second mode, through the resin matrix, besides being slower is also more strongly attenuated at the higher frequencies. This demonstration was accomplished by analyzing the time and frequency domain of the composite AU signal and comparing them to the same for a neat resin specimen of the same chemistry and geometry as the composite matrix. Analysis of the fine structure of AU spectra was accomplished by various geometrical strategies. It was shown that the multitude of narrow peaks associated with AU spectra are the effect of the many pulse arrivals in the signal. The shape and distribution of the peaks is mainly determined by the condition of nonnormal reflections of ray paths. A cepstrum analysis was employed which can be useful in detecting characteristic times. Analysis of propagation modes can be accomplished while ignoring the fine structure.

Characterization of the Bread Made with Durum Wheat Semolina Rendered Gluten Free by Sourdough Biotechnology in Comparison with Commercial Gluten-Free Products.

PubMed

Rizzello, Carlo Giuseppe; Montemurro, Marco; Gobbetti, Marco

2016-09-01

Durum wheat semolina was fermented with sourdough lactic acid bacteria and fungal proteases aiming at a complete gluten hydrolysis. The gluten-free (GF) semolina, added with naturally GF ingredients and structuring agents, was used to produce bread (rendered GF bread; rGFB) at industrial level. An integrated approach including the characterization of the main chemical, nutritional, structural, and sensory features was used to compare rGFB to a gluten-containing bread and to 5 commercial naturally GF breads. High-performance liquid chromatography was used for free amino acids (FAAs), organic acids, and ethanol analysis. A methanolic extract was used for determining total phenols and antioxidant activity. The bread characterization also included the analysis of dietary fibers, mycotoxins, vitamins, and heavy metals. Beyond chemical analysis, nutritional profile was evaluated considering the in vitro protein digestibility and the predicted glycemic index, while the instrumental texture profile analysis was performed to investigate the structure and the physical/mechanical properties of the baked goods. Beyond the huge potential of market expansion, the main advantages of durum wheat semolina rendered GF can be resumed in the high availability of FAAs, the high protein digestibility, the low starch hydrolysis index, and the better technological properties of bread compared to the commercial GF products currently present on the market. Vitamins, minerals, and dietary fiber profiles are comparable to those of gluten-containing wheat bread. Also the sensory profile, determined by a panel test, can be considered the most similar to those of conventional baked goods, showing all the sourdough bread classic attributes. © 2016 Institute of Food Technologists®

Neural correlates of gait variability in people with multiple sclerosis with fall history.

PubMed

Kalron, Alon; Allali, Gilles; Achiron, Anat

2018-05-28

Investigate the association between step time variability and related brain structures in accordance with fall status in people with multiple sclerosis (PwMS). The study included 225 PwMS. A whole-brain MRI was performed by a high-resolution 3.0-Telsa MR scanner in addition to volumetric analysis based on 3D T1-weighted images using the FreeSurfer image analysis suite. Step time variability was measured by an electronic walkway. Participants were defined as "fallers" (at least two falls during the previous year) and "non-fallers". One hundred and five PwMS were defined as fallers and had a greater step time variability compared to non-fallers (5.6% (S.D.=3.4) vs. 3.4% (S.D.=1.5); p=0.001). MS fallers exhibited a reduced volume in the left caudate and both cerebellum hemispheres compared to non-fallers. By using a linear regression analysis no association was found between gait variability and related brain structures in the total cohort and non-fallers group. However, the analysis found an association between the left hippocampus and left putamen volumes with step time variability in the faller group; p=0.031, 0.048, respectively, controlling for total cranial volume, walking speed, disability, age and gender. Nevertheless, according to the hierarchical regression model, the contribution of these brain measures to predict gait variability was relatively small compared to walking speed. An association between low left hippocampal, putamen volumes and step time variability was found in PwMS with a history of falls, suggesting brain structural characteristics may be related to falls and increased gait variability in PwMS. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Fast progressive lower motor neuron disease is an ALS variant: A two-centre tract of interest-based MRI data analysis.

PubMed

Müller, Hans-Peter; Agosta, Federica; Riva, Nilo; Spinelli, Edoardo G; Comi, Giancarlo; Ludolph, Albert C; Filippi, Massimo; Kassubek, Jan

2018-01-01

The criteria for assessing upper motor neuron pathology in pure lower motor neuron disease (LMND) still remain a major issue of debate with respect to the clinical classification as an amyotrophic lateral sclerosis (ALS) variant. The study was designed to investigate white matter damage by a hypothesis-guided tract-of-interest-based approach in patients with LMND compared with healthy controls and ´classical´ ALS patients in order to identify in vivo brain structural changes according to the neuropathologically defined ALS affectation pattern. Data were pooled from two previous studies at two different study sites (Ulm, Germany and Milano, Italy). DTI-based white matter integrity mapping was performed by voxelwise statistical comparison and by a tractwise analysis of fractional anisotropy (FA) maps according to the ALS-staging pattern for 65 LMND patients (clinically differentiated in fast and slow progressors) vs. 92 matched controls and 101 ALS patients with a 'classical' phenotype to identify white matter structural alterations. The analysis of white matter structural connectivity by regional FA reductions demonstrated the characteristic alteration patterns along the CST and also in frontal and prefrontal brain areas in LMND patients compared to controls and ALS. Fast progressing LMND showed substantial involvement, like in ALS, while slow progressors showed less severe alterations. In the tract-specific analysis according to the ALS-staging pattern, fast progressing LMND showed significant alterations of ALS-related tract systems as compared to slow progressors and controls. This study showed an affectation pattern for corticoefferent fibers in LMND with fast disease progression as defined for ALS, that way confirming the hypothesis that fast progressing LMND is a phenotypical variant of ALS.

A comparative analysis of human plasma and serum proteins by combining native PAGE, whole-gel slicing and quantitative LC-MS/MS: Utilizing native MS-electropherograms in proteomic analysis for discovering structure and interaction-correlated differences.

PubMed

Wen, Meiling; Jin, Ya; Manabe, Takashi; Chen, Shumin; Tan, Wen

2017-12-01

MS identification has long been used for PAGE-separated protein bands, but global and systematic quantitation utilizing MS after PAGE has remained rare and not been reported for native PAGE. Here we reported on a new method combining native PAGE, whole-gel slicing and quantitative LC-MS/MS, aiming at comparative analysis on not only abundance, but also structures and interactions of proteins. A pair of human plasma and serum samples were used as test samples and separated on a native PAGE gel. Six lanes of each sample were cut, each lane was further sliced into thirty-five 1.1 mm × 1.1 mm squares and all the squares were subjected to standardized procedures of in-gel digestion and quantitative LC-MS/MS. The results comprised 958 data rows that each contained abundance values of a protein detected in one square in eleven gel lanes (one plasma lane excluded). The data were evaluated to have satisfactory reproducibility of assignment and quantitation. Totally 315 proteins were assigned, with each protein assigned in 1-28 squares. The abundance distributions in the plasma and serum gel lanes were reconstructed for each protein, named as "native MS-electropherograms". Comparison of the electropherograms revealed significant plasma-versus-serum differences on 33 proteins in 87 squares (fold difference > 2 or < 0.5, p < 0.05). Many of the differences matched with accumulated knowledge on protein interactions and proteolysis involved in blood coagulation, complement and wound healing processes. We expect this method would be useful to provide more comprehensive information in comparative proteomic analysis, on both quantities and structures/interactions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Estimates of production and structure of nuclei with Z = 119

NASA Astrophysics Data System (ADS)

Adamian, G. G.; Antonenko, N. V.; Lenske, H.

2018-02-01

The comparative analysis of the hot fusion reactions 50Ti +247-249Bk and 51V +246-248Cm for synthesis of element 119 is made with the dinuclear system model and the prediction of nuclear properties of the microscopic-macroscopic approach, where the closed proton shell at Z ≥ 120 is expected. The quasiparticle structures of nuclei in the α-decay chain of 295119 and a possible spread of alpha energies are studied. The calculated values of Qα are compared with available experimental data. The termination of the α-decay chain of 295119 is revealed.

Curricula and Programmes in Petroleum Engineering for Higher Technical Education Institutions: Comparative Analysis

ERIC Educational Resources Information Center

Tymkiv, Nadiya

2018-01-01

The article states the analysis of the curriculum that regulates the main purposes, essence and directions for petroleum training. The importance and necessity of positive usage of Austrian, English and Norwegian experience at the time of petroleum engineers training in the petroleum industry has been stressed on. The structure and content of…

A Preliminary Comparison of the Effectiveness of Cluster Analysis Weighting Procedures for Within-Group Covariance Structure.

ERIC Educational Resources Information Center

Donoghue, John R.

A Monte Carlo study compared the usefulness of six variable weighting methods for cluster analysis. Data were 100 bivariate observations from 2 subgroups, generated according to a finite normal mixture model. Subgroup size, within-group correlation, within-group variance, and distance between subgroup centroids were manipulated. Of the clustering…

Modification and Factor Analysis of the Grief Experience Inventory in Non-Death Loss/Bereavement Situations.

ERIC Educational Resources Information Center

Zinner, Ellen S.; And Others

1991-01-01

Administered Grief Experience Inventory (GEI) to 102 mothers of brain-injured adolescents and young adults across 3 years postinjury. Factor analysis of data was computed and compared to factors derived from original GEI General Reference Group (n=135). Found strikingly similar factor structures between modified nondeath form and original GEI.…

A Randomized Clinical Trial Comparison between Pivotal Response Treatment (PRT) and Structured Applied Behavior Analysis (ABA) Intervention for Children with Autism

ERIC Educational Resources Information Center

Mohammadzaheri, Fereshteh; Koegel, Lynn Kern; Rezaee, Mohammad; Rafiee, Seyed Majid

2014-01-01

Accumulating studies are documenting specific motivational variables that, when combined into a naturalistic teaching paradigm, can positively influence the effectiveness of interventions for children with autism spectrum disorder (ASD). The purpose of this study was to compare two applied behavior analysis (ABA) intervention procedures, a…

Soft X-ray astronomy using grazing incidence optics

NASA Technical Reports Server (NTRS)

Davis, John M.

1989-01-01

The instrumental background of X-ray astronomy with an emphasis on high resolution imagery is outlined. Optical and system performance, in terms of resolution, are compared and methods for improving the latter in finite length instruments described. The method of analysis of broadband images to obtain diagnostic information is described and is applied to the analysis of coronal structures.

Investigation of the Structural Behavior and Maximum Bending Strength of Six Multiweb Beams with Three Types of Webs

NASA Technical Reports Server (NTRS)

Peterson, James P.; Bruce, Walter E., Jr.

1959-01-01

The results of bending tests on six multiweb beams of optimum weight-strength design are presented. The internal structure of the beams consisted of various combinations of two types of full-depth solid webs and a post-stringer web. The observed structural behavior, buckling load, and failing load of the beams are compared with results obtained by the use of existing methods of analysis and found to be quite predictable.

Crystal structure of new AsS{sub 2} compound

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

Bolotina, N. B., E-mail: bolotina@ns.crys.ras.ru; Brazhkin, V. V.; Dyuzheva, T. I.

2013-01-15

AsS{sub 2} single crystals have been obtained for the first time from an As{sub 2}S{sub 3} melt at pressures above 6 GPa and temperatures above 800 K in the As{sub 2}S{sub 3} {yields} AsS + AsS{sub 2} reaction. The monoclinic structure of the new high-pressure phase is solved by X-ray diffraction analysis and compared to the structure of high-pressure AsS phase, which was studied previously.

Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

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

Shan, Xiaopeng

2003-01-01

Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH +3 - and mechanisms of ligand displacement and oxidation were proposed.

Research on Bell-Shaped Vibratory Angular Rate Gyro's Character of Resonator

PubMed Central

Su, Zhong; Fu, Mengyin; Li, Qing; Liu, Ning; Liu, Hong

2013-01-01

Bell-shaped vibratory angular rate gyro (abbreviated as BVG) is a new type Coriolis vibratory gyro that was inspired by Chinese traditional clocks. The resonator fuses based on a variable thickness axisymmetric multicurved surface shell. Its characteristics can directly influence the performance of BVG. The BVG structure not only has capabilities of bearing high overload, high impact and, compared with the tuning fork, vibrating beam, shell and a comb structure, but also a higher frequency to overcome the influence of the disturbance of the exterior environment than the same sized hemispherical resonator gyroscope (HRG) and the traditional cylinder vibratory gyroscope. It can be widely applied in high dynamic low precision angular rate measurement occasions. The main work is as follows: the issue mainly analyzes the structure and basic principle, and investigates the bell-shaped resonator's mathematical model. The reasonable structural parameters are obtained from finite element analysis and an intelligent platform. Using the current solid vibration gyro theory analyzes the structural characteristics and principles of BVG. The bell-shaped resonator is simplified as a paraboloid of the revolution mechanical model, which has a fixed closed end and a free opened end. It obtains the natural frequency and vibration modes based on the theory of elasticity. The structural parameters are obtained from the orthogonal method by the research on the structural parameters of the resonator analysis. It obtains the modal analysis, stress analysis and impact analysis with the chosen parameters. Finally, using the turntable experiment verifies the gyro effect of the BVG. PMID:23575033