Analysis of the STS-126 Flow Control Valve Structural-Acoustic Coupling Failure

NASA Technical Reports Server (NTRS)

Jones, Trevor M.; Larko, Jeffrey M.; McNelis, Mark E.

2010-01-01

During the Space Transportation System mission STS-126, one of the main engine's flow control valves incurred an unexpected failure. A section of the valve broke off during liftoff. It is theorized that an acoustic mode of the flowing fuel, coupled with a structural mode of the valve, causing a high cycle fatigue failure. This report documents the analysis efforts conducted in an attempt to verify this theory. Hand calculations, computational fluid dynamics, and finite element methods are all implemented and analyses are performed using steady-state methods in addition to transient analysis methods. The conclusion of the analyses is that there is a critical acoustic mode that aligns with a structural mode of the valve

Towards fully automated structure-based function prediction in structural genomics: a case study.

PubMed

Watson, James D; Sanderson, Steve; Ezersky, Alexandra; Savchenko, Alexei; Edwards, Aled; Orengo, Christine; Joachimiak, Andrzej; Laskowski, Roman A; Thornton, Janet M

2007-04-13

As the global Structural Genomics projects have picked up pace, the number of structures annotated in the Protein Data Bank as hypothetical protein or unknown function has grown significantly. A major challenge now involves the development of computational methods to assign functions to these proteins accurately and automatically. As part of the Midwest Center for Structural Genomics (MCSG) we have developed a fully automated functional analysis server, ProFunc, which performs a battery of analyses on a submitted structure. The analyses combine a number of sequence-based and structure-based methods to identify functional clues. After the first stage of the Protein Structure Initiative (PSI), we review the success of the pipeline and the importance of structure-based function prediction. As a dataset, we have chosen all structures solved by the MCSG during the 5 years of the first PSI. Our analysis suggests that two of the structure-based methods are particularly successful and provide examples of local similarity that is difficult to identify using current sequence-based methods. No one method is successful in all cases, so, through the use of a number of complementary sequence and structural approaches, the ProFunc server increases the chances that at least one method will find a significant hit that can help elucidate function. Manual assessment of the results is a time-consuming process and subject to individual interpretation and human error. We present a method based on the Gene Ontology (GO) schema using GO-slims that can allow the automated assessment of hits with a success rate approaching that of expert manual assessment.

Measurements and analyses of principal dynamic parameters of building structures as a function of type of vibration excitation

NASA Astrophysics Data System (ADS)

Bartmański, Cezary; Bochenek, Wojciech; Passia, Henryk; Szade, Adam

2006-06-01

The methods of direct measurement and analysis of the dynamic response of a building structure through real-time recording of the amplitude of low-frequency vibration (tilt) have been presented. Subject to analyses was the reaction induced either by kinematic excitation (road traffic and mining-induced vibration) or controlled action of solid-fuel rocket micro-engines installed on the building. The forces were analysed by means of a set of transducers installed both in the ground and on the structure. After the action of excitation forces has been stopped, the system (structure) makes damped vibration around the static equilibrium position. It has been shown that the type of excitation affects the accuracy of evaluation of principal dynamic parameters of the structure. In the authors opinion these are the decrement of damping and natural vibration frequency. Positive results of tests with the use of excitation by means of short-action (0.6 second) rocket micro-engines give a chance to develop a reliable method for periodical assessment of acceptable loss of usability characteristics of building structures heavily influenced by environmental effects.

Optimal design of structures for earthquake loads by a hybrid RBF-BPSO method

NASA Astrophysics Data System (ADS)

Salajegheh, Eysa; Gholizadeh, Saeed; Khatibinia, Mohsen

2008-03-01

The optimal seismic design of structures requires that time history analyses (THA) be carried out repeatedly. This makes the optimal design process inefficient, in particular, if an evolutionary algorithm is used. To reduce the overall time required for structural optimization, two artificial intelligence strategies are employed. In the first strategy, radial basis function (RBF) neural networks are used to predict the time history responses of structures in the optimization flow. In the second strategy, a binary particle swarm optimization (BPSO) is used to find the optimum design. Combining the RBF and BPSO, a hybrid RBF-BPSO optimization method is proposed in this paper, which achieves fast optimization with high computational performance. Two examples are presented and compared to determine the optimal weight of structures under earthquake loadings using both exact and approximate analyses. The numerical results demonstrate the computational advantages and effectiveness of the proposed hybrid RBF-BPSO optimization method for the seismic design of structures.

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

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

Computational analysis of conserved RNA secondary structure in transcriptomes and genomes.

PubMed

Eddy, Sean R

2014-01-01

Transcriptomics experiments and computational predictions both enable systematic discovery of new functional RNAs. However, many putative noncoding transcripts arise instead from artifacts and biological noise, and current computational prediction methods have high false positive rates. I discuss prospects for improving computational methods for analyzing and identifying functional RNAs, with a focus on detecting signatures of conserved RNA secondary structure. An interesting new front is the application of chemical and enzymatic experiments that probe RNA structure on a transcriptome-wide scale. I review several proposed approaches for incorporating structure probing data into the computational prediction of RNA secondary structure. Using probabilistic inference formalisms, I show how all these approaches can be unified in a well-principled framework, which in turn allows RNA probing data to be easily integrated into a wide range of analyses that depend on RNA secondary structure inference. Such analyses include homology search and genome-wide detection of new structural RNAs.

Quasi-Static Probabilistic Structural Analyses Process and Criteria

NASA Technical Reports Server (NTRS)

Goldberg, B.; Verderaime, V.

1999-01-01

Current deterministic structural methods are easily applied to substructures and components, and analysts have built great design insights and confidence in them over the years. However, deterministic methods cannot support systems risk analyses, and it was recently reported that deterministic treatment of statistical data is inconsistent with error propagation laws that can result in unevenly conservative structural predictions. Assuming non-nal distributions and using statistical data formats throughout prevailing stress deterministic processes lead to a safety factor in statistical format, which integrated into the safety index, provides a safety factor and first order reliability relationship. The embedded safety factor in the safety index expression allows a historically based risk to be determined and verified over a variety of quasi-static metallic substructures consistent with the traditional safety factor methods and NASA Std. 5001 criteria.

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

Advanced Structural Analyses by Third Generation Synchrotron Radiation Powder Diffraction

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

Sakata, M.; Aoyagi, S.; Ogura, T.

2007-01-19

Since the advent of the 3rd generation Synchrotron Radiation (SR) sources, such as SPring-8, the capabilities of SR powder diffraction increased greatly not only in an accurate structure refinement but also ab initio structure determination. In this study, advanced structural analyses by 3rd generation SR powder diffraction based on the Large Debye-Scherrer camera installed at BL02B2, SPring-8 is described. Because of high angular resolution and high counting statistics powder data collected at BL02B2, SPring-8, ab initio structure determination can cope with a molecular crystals with 65 atoms including H atoms. For the structure refinements, it is found that a kindmore » of Maximum Entropy Method in which several atoms are omitted in phase calculation become very important to refine structural details of fairy large molecule in a crystal. It should be emphasized that until the unknown structure is refined very precisely, the obtained structure by Genetic Algorithm (GA) or some other ab initio structure determination method using real space structural knowledge, it is not possible to tell whether the structure obtained by the method is correct or not. In order to determine and/or refine crystal structure of rather complicated molecules, we cannot overemphasize the importance of the 3rd generation SR sources.« less

THE PRACTICE OF STRUCTURE ACTIVITY RELATIONSHIPS (SAR) IN TOXICOLOGY

EPA Science Inventory

Both qualitative and quantitative modeling methods relating chemical structure to biological activity, called structure-activity relationship analyses or SAR, are applied to the prediction and characterization of chemical toxicity. This minireview will discuss some generic issue...

Hierarchical structure of the Sicilian goats revealed by Bayesian analyses of microsatellite information.

PubMed

Siwek, M; Finocchiaro, R; Curik, I; Portolano, B

2011-02-01

Genetic structure and relationship amongst the main goat populations in Sicily (Girgentana, Derivata di Siria, Maltese and Messinese) were analysed using information from 19 microsatellite markers genotyped on 173 individuals. A posterior Bayesian approach implemented in the program STRUCTURE revealed a hierarchical structure with two clusters at the first level (Girgentana vs. Messinese, Derivata di Siria and Maltese), explaining 4.8% of variation (amovaФ(ST) estimate). Seven clusters nested within these first two clusters (further differentiations of Girgentana, Derivata di Siria and Maltese), explaining 8.5% of variation (amovaФ(SC) estimate). The analyses and methods applied in this study indicate their power to detect subtle population structure. © 2010 The Authors, Animal Genetics © 2010 Stichting International Foundation for Animal Genetics.

Multidisciplinary optimization of a controlled space structure using 150 design variables

NASA Technical Reports Server (NTRS)

James, Benjamin B.

1992-01-01

A general optimization-based method for the design of large space platforms through integration of the disciplines of structural dynamics and control is presented. The method uses the global sensitivity equations approach and is especially appropriate for preliminary design problems in which the structural and control analyses are tightly coupled. The method is capable of coordinating general purpose structural analysis, multivariable control, and optimization codes, and thus, can be adapted to a variety of controls-structures integrated design projects. The method is used to minimize the total weight of a space platform while maintaining a specified vibration decay rate after slewing maneuvers.

An Analysis of Prospective Chemistry Teachers' Cognitive Structures through Flow Map Method: The Subject of Oxidation and Reduction

ERIC Educational Resources Information Center

Temel, Senar

2016-01-01

This study aims to analyse prospective chemistry teachers' cognitive structures related to the subject of oxidation and reduction through a flow map method. Purposeful sampling method was employed in this study, and 8 prospective chemistry teachers from a group of students who had taken general chemistry and analytical chemistry courses were…

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.

Why the Major Field Test in Business Does Not Report Subscores: Reliability and Construct Validity Evidence. Research Report. ETS RR-12-11

ERIC Educational Resources Information Center

Ling, Guangming

2012-01-01

To assess the value of individual students' subscores on the Major Field Test in Business (MFT Business), I examined the test's internal structure with factor analysis and structural equation model methods, and analyzed the subscore reliabilities using the augmented scores method. Analyses of the internal structure suggested that the MFT Business…

Calculations vs. measurements of remnant dose rates for SNS spent structures

NASA Astrophysics Data System (ADS)

Popova, I. I.; Gallmeier, F. X.; Trotter, S.; Dayton, M.

2018-06-01

Residual dose rate measurements were conducted on target vessel #13 and proton beam window #5 after extraction from their service locations. These measurements were used to verify calculation methods of radionuclide inventory assessment that are typically performed for nuclear waste characterization and transportation of these structures. Neutronics analyses for predicting residual dose rates were carried out using the transport code MCNPX and the transmutation code CINDER90. For transport analyses complex and rigorous geometry model of the structures and their surrounding are applied. The neutronics analyses were carried out using Bertini and CEM high energy physics models for simulating particles interaction. Obtained preliminary calculational results were analysed and compared to the measured dose rates and overall are showing good agreement with in 40% in average.

Calculations vs. measurements of remnant dose rates for SNS spent structures

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

Popova, Irina I.; Gallmeier, Franz X.; Trotter, Steven M.

Residual dose rate measurements were conducted on target vessel #13 and proton beam window #5 after extraction from their service locations. These measurements were used to verify calculation methods of radionuclide inventory assessment that are typically performed for nuclear waste characterization and transportation of these structures. Neutronics analyses for predicting residual dose rates were carried out using the transport code MCNPX and the transmutation code CINDER90. For transport analyses complex and rigorous geometry model of the structures and their surrounding are applied. The neutronics analyses were carried out using Bertini and CEM high energy physics models for simulating particles interaction.more » Obtained preliminary calculational results were analysed and compared to the measured dose rates and overall are showing good agreement with in 40% in average.« less

Static and Vibration Analyses of General Wing Structures Using Equivalent Plate Models

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.; Liu, Youhua

1999-01-01

An efficient method, using equivalent plate model, is developed for studying the static and vibration analyses of general built-up wing structures composed of skins, spars, and ribs. The model includes the transverse shear effects by treating the built-up wing as a plate following the Reissner-Mindlin theory, the so-called First-order Shear Deformation Theory (FSDT). The Ritz method is used with the Legendre polynomials being employed as the trial functions. This is in contrast to previous equivalent plate model methods which have used simple polynomials, known to be prone to numerical ill-conditioning, as the trial functions. The present developments are evaluated by comparing the results with those obtained using MSC/NASTRAN, for a set of examples. These examples are: (i) free-vibration analysis of a clamped trapezoidal plate with (a) uniform thickness, and (b) non-uniform thickness varying as an airfoil, (ii) free-vibration and static analyses (including skin stress distribution) of a general built-up wing, and (iii) free-vibration and static analyses of a swept-back box wing. The results obtained by the present equivalent plate model are in good agreement with those obtained by the finite element method.

Integrated NDE and FEM characterization of composite rotors

NASA Astrophysics Data System (ADS)

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

2001-08-01

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

An Integrated NDE and FEM Characterization of Composite Rotors

NASA Technical Reports Server (NTRS)

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

2000-01-01

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

Stress analysis and damage evaluation of flawed composite laminates by hybrid-numerical methods

NASA Technical Reports Server (NTRS)

Yang, Yii-Ching

1992-01-01

Structural components in flight vehicles is often inherited flaws, such as microcracks, voids, holes, and delamination. These defects will degrade structures the same as that due to damages in service, such as impact, corrosion, and erosion. It is very important to know how a structural component can be useful and survive after these flaws and damages. To understand the behavior and limitation of these structural components researchers usually do experimental tests or theoretical analyses on structures with simulated flaws. However, neither approach has been completely successful. As Durelli states that 'Seldom does one method give a complete solution, with the most efficiency'. Examples of this principle is seen in photomechanics which additional strain-gage testing can only average stresses at locations of high concentration. On the other hand, theoretical analyses including numerical analyses are implemented with simplified assumptions which may not reflect actual boundary conditions. Hybrid-Numerical methods which combine photomechanics and numerical analysis have been used to correct this inefficiency since 1950's. But its application is limited until 1970's when modern computer codes became available. In recent years, researchers have enhanced the data obtained from photoelasticity, laser speckle, holography and moire' interferometry for input of finite element analysis on metals. Nevertheless, there is only few of literature being done on composite laminates. Therefore, this research is dedicated to this highly anisotropic material.

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.

Method of performing computational aeroelastic analyses

NASA Technical Reports Server (NTRS)

Silva, Walter A. (Inventor)

2011-01-01

Computational aeroelastic analyses typically use a mathematical model for the structural modes of a flexible structure and a nonlinear aerodynamic model that can generate a plurality of unsteady aerodynamic responses based on the structural modes for conditions defining an aerodynamic condition of the flexible structure. In the present invention, a linear state-space model is generated using a single execution of the nonlinear aerodynamic model for all of the structural modes where a family of orthogonal functions is used as the inputs. Then, static and dynamic aeroelastic solutions are generated using computational interaction between the mathematical model and the linear state-space model for a plurality of periodic points in time.

Computational modeling of RNA 3D structures, with the aid of experimental restraints

PubMed Central

Magnus, Marcin; Matelska, Dorota; Łach, Grzegorz; Chojnowski, Grzegorz; Boniecki, Michal J; Purta, Elzbieta; Dawson, Wayne; Dunin-Horkawicz, Stanislaw; Bujnicki, Janusz M

2014-01-01

In addition to mRNAs whose primary function is transmission of genetic information from DNA to proteins, numerous other classes of RNA molecules exist, which are involved in a variety of functions, such as catalyzing biochemical reactions or performing regulatory roles. In analogy to proteins, the function of RNAs depends on their structure and dynamics, which are largely determined by the ribonucleotide sequence. Experimental determination of high-resolution RNA structures is both laborious and difficult, and therefore, the majority of known RNAs remain structurally uncharacterized. To address this problem, computational structure prediction methods were developed that simulate either the physical process of RNA structure formation (“Greek science” approach) or utilize information derived from known structures of other RNA molecules (“Babylonian science” approach). All computational methods suffer from various limitations that make them generally unreliable for structure prediction of long RNA sequences. However, in many cases, the limitations of computational and experimental methods can be overcome by combining these two complementary approaches with each other. In this work, we review computational approaches for RNA structure prediction, with emphasis on implementations (particular programs) that can utilize restraints derived from experimental analyses. We also list experimental approaches, whose results can be relatively easily used by computational methods. Finally, we describe case studies where computational and experimental analyses were successfully combined to determine RNA structures that would remain out of reach for each of these approaches applied separately. PMID:24785264

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%.

Structure-activity relations of 2-(methylthio)benzimidazole by FTIR, FT-Raman, NMR, DFT and conceptual DFT methods.

PubMed

Arjunan, V; Raj, Arushma; Ravindran, P; Mohan, S

2014-01-24

The vibrational fundamental modes of 2-(methylthio)benzimidazole (2MTBI) have been analysed by combining FTIR, FT-Raman and quantum chemical calculations. The structural parameters of the compound are determined from the optimised geometry by B3LYP with 6-31G(∗∗), 6-311++G(∗∗) and cc-pVTZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra have been analysed and (1)H and (13)C nuclear magnetic resonance chemical shifts are calculated using the gauge independent atomic orbital (GIAO) method. The structure-activity relationship of the compound is also investigated by conceptual DFT methods. The chemical reactivity and site selectivity of the molecule has been determined with the help of global and local reactivity descriptors. Copyright © 2013 Elsevier B.V. All rights reserved.

General aviation crash safety program at Langley Research Center

NASA Technical Reports Server (NTRS)

Thomson, R. G.

1976-01-01

The purpose of the crash safety program is to support development of the technology to define and demonstrate new structural concepts for improved crash safety and occupant survivability in general aviation aircraft. The program involves three basic areas of research: full-scale crash simulation testing, nonlinear structural analyses necessary to predict failure modes and collapse mechanisms of the vehicle, and evaluation of energy absorption concepts for specific component design. Both analytical and experimental methods are being used to develop expertise in these areas. Analyses include both simplified procedures for estimating energy absorption capabilities and more complex computer programs for analysis of general airframe response. Full-scale tests of typical structures as well as tests on structural components are being used to verify the analyses and to demonstrate improved design concepts.

Comparisons of several aerodynamic methods for application to dynamic loads analyses

NASA Technical Reports Server (NTRS)

Kroll, R. I.; Miller, R. D.

1976-01-01

The results of a study are presented in which the applicability at subsonic speeds of several aerodynamic methods for predicting dynamic gust loads on aircraft, including active control systems, was examined and compared. These aerodynamic methods varied from steady state to an advanced unsteady aerodynamic formulation. Brief descriptions of the structural and aerodynamic representations and of the motion and load equations are presented. Comparisons of numerical results achieved using the various aerodynamic methods are shown in detail. From these results, aerodynamic representations for dynamic gust analyses are identified. It was concluded that several aerodynamic methods are satisfactory for dynamic gust analyses of configurations having either controls fixed or active control systems that primarily affect the low frequency rigid body aircraft response.

Transfer path analysis: Current practice, trade-offs and consideration of damping

NASA Astrophysics Data System (ADS)

Oktav, Akın; Yılmaz, Çetin; Anlaş, Günay

2017-02-01

Current practice of experimental transfer path analysis is discussed in the context of trade-offs between accuracy and time cost. An overview of methods, which propose solutions for structure borne noise, is given, where assumptions, drawbacks and advantages of methods are stated theoretically. Applicability of methods is also investigated, where an engine induced structure borne noise of an automobile is taken as a reference problem. Depending on this particular problem, sources of measurement errors, processing operations that affect results and physical obstacles faced in the application are analysed. While an operational measurement is common in all stated methods, when it comes to removal of source, or the need for an external excitation, discrepancies are present. Depending on the chosen method, promised outcomes like independent characterisation of the source, or getting information about mounts also differ. Although many aspects of the problem are reported in the literature, damping and its effects are not considered. Damping effect is embedded in the measured complex frequency response functions, and it is needed to be analysed in the post processing step. Effects of damping, reasons and methods to analyse them are discussed in detail. In this regard, a new procedure, which increases the accuracy of results, is also proposed.

Multilevel modelling: Beyond the basic applications.

PubMed

Wright, Daniel B; London, Kamala

2009-05-01

Over the last 30 years statistical algorithms have been developed to analyse datasets that have a hierarchical/multilevel structure. Particularly within developmental and educational psychology these techniques have become common where the sample has an obvious hierarchical structure, like pupils nested within a classroom. We describe two areas beyond the basic applications of multilevel modelling that are important to psychology: modelling the covariance structure in longitudinal designs and using generalized linear multilevel modelling as an alternative to methods from signal detection theory (SDT). Detailed code for all analyses is described using packages for the freeware R.

The dual role of fragments in fragment-assembly methods for de novo protein structure prediction

PubMed Central

Handl, Julia; Knowles, Joshua; Vernon, Robert; Baker, David; Lovell, Simon C.

2013-01-01

In fragment-assembly techniques for protein structure prediction, models of protein structure are assembled from fragments of known protein structures. This process is typically guided by a knowledge-based energy function and uses a heuristic optimization method. The fragments play two important roles in this process: they define the set of structural parameters available, and they also assume the role of the main variation operators that are used by the optimiser. Previous analysis has typically focused on the first of these roles. In particular, the relationship between local amino acid sequence and local protein structure has been studied by a range of authors. The correlation between the two has been shown to vary with the window length considered, and the results of these analyses have informed directly the choice of fragment length in state-of-the-art prediction techniques. Here, we focus on the second role of fragments and aim to determine the effect of fragment length from an optimization perspective. We use theoretical analyses to reveal how the size and structure of the search space changes as a function of insertion length. Furthermore, empirical analyses are used to explore additional ways in which the size of the fragment insertion influences the search both in a simulation model and for the fragment-assembly technique, Rosetta. PMID:22095594

Structural optimization: Status and promise

NASA Astrophysics Data System (ADS)

Kamat, Manohar P.

Chapters contained in this book include fundamental concepts of optimum design, mathematical programming methods for constrained optimization, function approximations, approximate reanalysis methods, dual mathematical programming methods for constrained optimization, a generalized optimality criteria method, and a tutorial and survey of multicriteria optimization in engineering. Also included are chapters on the compromise decision support problem and the adaptive linear programming algorithm, sensitivity analyses of discrete and distributed systems, the design sensitivity analysis of nonlinear structures, optimization by decomposition, mixed elements in shape sensitivity analysis of structures based on local criteria, and optimization of stiffened cylindrical shells subjected to destabilizing loads. Other chapters are on applications to fixed-wing aircraft and spacecraft, integrated optimum structural and control design, modeling concurrency in the design of composite structures, and tools for structural optimization. (No individual items are abstracted in this volume)

[Fine stereo structure for natural organic molecules, a preliminary study. II. Melting point influenced by structure factors].

PubMed

Lu, Y; Zheng, Q; Lu, D; Ma, P; Chen, Y

1995-06-01

Crystal structures of two compounds from Tripterygium wilfordii Hook f. have been determined by X-ray diffraction method. Structure factors influencing melting point of solid state have been analysed. Crystal class (or space group), recrystallization solvent, force between molecules and fine changes of molecular structures will all cause melting point changes of crystal substance.

Hybrid state vector methods for structural dynamic and aeroelastic boundary value problems

NASA Technical Reports Server (NTRS)

Lehman, L. L.

1982-01-01

A computational technique is developed that is suitable for performing preliminary design aeroelastic and structural dynamic analyses of large aspect ratio lifting surfaces. The method proves to be quite general and can be adapted to solving various two point boundary value problems. The solution method, which is applicable to both fixed and rotating wing configurations, is based upon a formulation of the structural equilibrium equations in terms of a hybrid state vector containing generalized force and displacement variables. A mixed variational formulation is presented that conveniently yields a useful form for these state vector differential equations. Solutions to these equations are obtained by employing an integrating matrix method. The application of an integrating matrix provides a discretization of the differential equations that only requires solutions of standard linear matrix systems. It is demonstrated that matrix partitioning can be used to reduce the order of the required solutions. Results are presented for several example problems in structural dynamics and aeroelasticity to verify the technique and to demonstrate its use. These problems examine various types of loading and boundary conditions and include aeroelastic analyses of lifting surfaces constructed from anisotropic composite materials.

Asymmetric bias in user guided segmentations of brain structures

NASA Astrophysics Data System (ADS)

Styner, Martin; Smith, Rachel G.; Graves, Michael M.; Mosconi, Matthew W.; Peterson, Sarah; White, Scott; Blocher, Joe; El-Sayed, Mohammed; Hazlett, Heather C.

2007-03-01

Brain morphometric studies often incorporate comparative asymmetry analyses of left and right hemispheric brain structures. In this work we show evidence that common methods of user guided structural segmentation exhibit strong left-right asymmetric biases and thus fundamentally influence any left-right asymmetry analyses. We studied several structural segmentation methods with varying degree of user interaction from pure manual outlining to nearly fully automatic procedures. The methods were applied to MR images and their corresponding left-right mirrored images from an adult and a pediatric study. Several expert raters performed the segmentations of all structures. The asymmetric segmentation bias is assessed by comparing the left-right volumetric asymmetry in the original and mirrored datasets, as well as by testing each sides volumetric differences to a zero mean standard t-tests. The structural segmentations of caudate, putamen, globus pallidus, amygdala and hippocampus showed a highly significant asymmetric bias using methods with considerable manual outlining or landmark placement. Only the lateral ventricle segmentation revealed no asymmetric bias due to the high degree of automation and a high intensity contrast on its boundary. Our segmentation methods have been adapted in that they are applied to only one of the hemispheres in an image and its left-right mirrored image. Our work suggests that existing studies of hemispheric asymmetry without similar precautions should be interpreted in a new, skeptical light. Evidence of an asymmetric segmentation bias is novel and unknown to the imaging community. This result seems less surprising to the visual perception community and its likely cause is differences in perception of oppositely curved 3D structures.

Reanalysis, compatibility and correlation in analysis of modified antenna structures

NASA Technical Reports Server (NTRS)

Levy, R.

1989-01-01

A simple computational procedure is synthesized to process changes in the microwave-antenna pathlength-error measure when there are changes in the antenna structure model. The procedure employs structural modification reanalysis methods combined with new extensions of correlation analysis to provide the revised rms pathlength error. Mainframe finite-element-method processing of the structure model is required only for the initial unmodified structure, and elementary postprocessor computations develop and deal with the effects of the changes. Several illustrative computational examples are included. The procedure adapts readily to processing spectra of changes for parameter studies or sensitivity analyses.

Structural optimization for joined-wing synthesis

NASA Technical Reports Server (NTRS)

Gallman, John W.; Kroo, Ilan M.

1992-01-01

The differences between fully stressed and minimum-weight joined-wing structures are identified, and these differences are quantified in terms of weight, stress, and direct operating cost. A numerical optimization method and a fully stressed design method are used to design joined-wing structures. Both methods determine the sizes of 204 structural members, satisfying 1020 stress constraints and five buckling constraints. Monotonic splines are shown to be a very effective way of linking spanwise distributions of material to a few design variables. Both linear and nonlinear analyses are employed to formulate the buckling constraints. With a constraint on buckling, the fully stressed design is shown to be very similar to the minimum-weight structure. It is suggested that a fully stressed design method based on nonlinear analysis is adequate for an aircraft optimization study.

Evidence for the Continuous Latent Structure of Mania in the Epidemiologic Catchment Area from Multiple Latent Structure and Construct Validation Methodologies

PubMed Central

Prisciandaro, James J.; Roberts, John E.

2011-01-01

Background Although psychiatric diagnostic systems have conceptualized mania as a discrete phenomenon, appropriate latent structure investigations testing this conceptualization are lacking. In contrast to these diagnostic systems, several influential theories of mania have suggested a continuous conceptualization. The present study examined whether mania has a continuous or discrete latent structure using a comprehensive approach including taxometric, information-theoretic latent distribution modeling (ITLDM), and predictive validity methodologies in the Epidemiologic Catchment Area (ECA) study. Methods Eight dichotomous manic symptom items were submitted to a variety of latent structural analyses; including factor analyses, taxometric procedures, and ITLDM; in 10,105 ECA community participants. Additionally, a variety of continuous and discrete models of mania were compared in terms of their relative abilities to predict outcomes (i.e., health service utilization, internalizing and externalizing disorders, and suicidal behavior). Results Taxometric and ITLDM analyses consistently supported a continuous conceptualization of mania. In ITLDM analyses, a continuous model of mania demonstrated 6:52:1 odds over the best fitting latent class model of mania. Factor analyses suggested that the continuous structure of mania was best represented by a single latent factor. Predictive validity analyses demonstrated a consistent superior ability of continuous models of mania relative to discrete models. Conclusions The present study provided three independent lines of support for a continuous conceptualization of mania. The implications of a continuous model of mania are discussed. PMID:20507671

Effect of the aggregate morphology on the dispersability of MWCNTs in polymer melts

NASA Astrophysics Data System (ADS)

de Luna, M. Salzano; Tito, A.; Citterio, A.; Mazzocchia, C.; Acierno, D.; Filippone, G.

2012-07-01

Polystyrene nanocomposites filled with multi-walled carbon nanotubes have been prepared through a masterbatch melt mixing method and subjected to morphological, rheological and dielectrical analyses. The role of the structure of the initial aggregates has been investigated by comparing commercially available and synthesized MWCNTs prepared through fluidized bed chemical vapor deposition method and purified through a scalable one-pot route. Electron microscopy analyses reveal a less compact structure of the synthesized particles, in which the nanotubes are arranged in less entangled bundles. This reduces the strength of the initial agglomerates, thus enhancing their dispersability inside the host polymer by means of melt compounding as confirmed by both rheological and dielectrical measurements.

Relative Displacement Method for Track-Structure Interaction

PubMed Central

Ramos, Óscar Ramón; Pantaleón, Marcos J.

2014-01-01

The track-structure interaction effects are usually analysed with conventional FEM programs, where it is difficult to implement the complex track-structure connection behaviour, which is nonlinear, elastic-plastic and depends on the vertical load. The authors developed an alternative analysis method, which they call the relative displacement method. It is based on the calculation of deformation states in single DOF element models that satisfy the boundary conditions. For its solution, an iterative optimisation algorithm is used. This method can be implemented in any programming language or analysis software. A comparison with ABAQUS calculations shows a very good result correlation and compliance with the standard's specifications. PMID:24634610

Matrix-Assisted Laser Desorption/Ionisation - High-Energy Collision-Induced Dissociation of Steroids: Analysis of Oxysterols in Rat Brain

PubMed Central

Wang, Yuqin; Hornshaw, Martin; Alvelius, Gunvor; Bodin, Karl; Liu, Suya; Sjövall, Jan; Griffiths, William J.

2008-01-01

Neutral steroids have traditionally been analysed by gas chromatography – mass spectrometry (GC-MS) after necessary derivatisation reactions. However, GC-MS is unsuitable for the analysis of many conjugated steroids and those with unsuspected functional groups. Here we describe an alternative analytical method specifically designed for the analysis of oxosteroids and those with a 3β-hydroxy-Δ5 or 5α-hydrogen-3β-hydroxy structure. Steroids were derivatised with Girard P (GP) hydrazine to give GP hydrazones which are charged species and readily analysed by matrix-assisted laser desorption/ionization mass spectrometry. The resulting [M]+ ions were then subjected to high-energy collision-induced dissociation on a tandem time-of-flight instrument. The product-ion spectra give structurally informative fragment-ion patterns. The sensitivity of the analytical method is such that steroids structures can be determined from low pg (low fmole) amounts of sample. The utility of the method has been demonstrated by the analysis of oxysterols extracted from rat brain. PMID:16383324

Factor Structure of Cognition and Functional Capacity in Two Studies of Schizophrenia and Bipolar Disorder: Implications for Genomic Studies

PubMed Central

Harvey, Philip D.; Aslan, Mihaela; Du, Mengtian; Zhao, Hongyu; Siever, Larry J.; Pulver, Ann; Gaziano, J. Michael; Concato, John

2015-01-01

Objective Impairments in cognition and everyday functioning are common in schizophrenia and bipolar disorder. Based on two studies of schizophrenia (SCZ) and bipolar I disorder (BPI) with similar methods, this paper presents factor analyses of cognitive and functional capacity (FC) measures. The overall goal of these analyses was to determine whether performance-based assessments should be examined individually, or aggregated on the basis of the correlational structure of the tests and as well as to evaluate the similarity of factor structures in SCZ and BPI. Method Veterans Affairs (VA) Cooperative Studies Program study #572, evaluated cognitive and FC measures among 5,414 BPI and 3,942 SZ patients. A second study evaluated similar neuropsychological (NP) and FC measures among 368 BPI and 436 SZ patients. Principal components analysis, as well as exploratory and confirmatory factor analyses, were used to examine the data. Results Analyses in both datasets suggested that NP and FC measures were explained by of a single underlying factor in BPI and SCZ patients, both when analyzed separately or as in a combined sample. The factor structure in both studies was similar, with or without inclusion of FC measures; homogeneous loadings were observed for that single factor across cognitive and FC domains across the samples. Conclusions The empirically derived factor model suggests that NP performance and FC are best explained as a single latent trait applicable to people with schizophrenia and bipolar illness. This single measure may enhance the robustness of the analyses relating genomic data to performance-based phenotypes. PMID:26710094

Variance Estimation Using Replication Methods in Structural Equation Modeling with Complex Sample Data

ERIC Educational Resources Information Center

Stapleton, Laura M.

2008-01-01

This article discusses replication sampling variance estimation techniques that are often applied in analyses using data from complex sampling designs: jackknife repeated replication, balanced repeated replication, and bootstrapping. These techniques are used with traditional analyses such as regression, but are currently not used with structural…

J plots: a new method for characterizing structures in the interstellar medium

NASA Astrophysics Data System (ADS)

Jaffa, S. E.; Whitworth, A. P.; Clarke, S. D.; Howard, A. D. P.

2018-06-01

Large-scale surveys have brought about a revolution in astronomy. To analyse the resulting wealth of data, we need automated tools to identify, classify, and quantify the important underlying structures. We present here a method for classifying and quantifying a pixelated structure, based on its principal moments of inertia. The method enables us to automatically detect, and objectively compare, centrally condensed cores, elongated filaments, and hollow rings. We illustrate the method by applying it to (i) observations of surface density from Hi-GAL, and (ii) simulations of filament growth in a turbulent medium. We limit the discussion here to 2D data; in a future paper, we will extend the method to 3D data.

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

Not Available

This report was prepared at the request of the Lawrence Livermore Laboratory (LLL) to provide background information for analyzing soil-structure interaction by the frequency-independent impedance function approach. LLL is conducting such analyses as part of its seismic review of selected operating plants under the Systematic Evaluation Program for the US Nuclear Regulatory Commission. The analytical background and basic assumptionsof the impedance function theory are briefly reviewed, and the role of radiation damping in soil-structure interaction analysis is discussed. The validity of modeling soil-structure interaction by using frequency-independent functions is evaluated based on data from several field tests. Finally, the recommendedmore » procedures for performing soil-structure interaction analyses are discussed with emphasis on the modal superposition method.« less

A cubic extended interior penalty function for structural optimization

NASA Technical Reports Server (NTRS)

Prasad, B.; Haftka, R. T.

1979-01-01

This paper describes an optimization procedure for the minimum weight design of complex structures. The procedure is based on a new cubic extended interior penalty function (CEIPF) used with the sequence of unconstrained minimization technique (SUMT) and Newton's method. The Hessian matrix of the penalty function is approximated using only constraints and their derivatives. The CEIPF is designed to minimize the error in the approximation of the Hessian matrix, and as a result the number of structural analyses required is small and independent of the number of design variables. Three example problems are reported. The number of structural analyses is reduced by as much as 50 per cent below previously reported results.

Structural and seismic analyses of waste facility reinforced concrete storage vaults

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

Wang, C.Y.

1995-07-01

Facility 317 of Argonne National Laboratory consists of several reinforced concrete waste storage vaults designed and constructed in the late 1940`s through the early 1960`s. In this paper, structural analyses of these concrete vaults subjected to various natural hazards are described, emphasizing the northwest shallow vault. The natural phenomenon hazards considered include both earthquakes and tornados. Because these vaults are deeply embedded in the soil, the SASSI (System Analysis of Soil-Structure Interaction) code was utilized for the seismic calculations. The ultimate strength method was used to analyze the reinforced concrete structures. In all studies, moment and shear strengths at criticalmore » locations of the storage vaults were evaluated. Results of the structural analyses show that almost all the waste storage vaults meet the code requirements according to ACI 349--85. These vaults also satisfy the performance goal such that confinement of hazardous materials is maintained and functioning of the facility is not interrupted.« less

The modelling of the flow-induced vibrations of periodic flat and axial-symmetric structures with a wave-based method

NASA Astrophysics Data System (ADS)

Errico, F.; Ichchou, M.; De Rosa, S.; Bareille, O.; Franco, F.

2018-06-01

The stochastic response of periodic flat and axial-symmetric structures, subjected to random and spatially-correlated loads, is here analysed through an approach based on the combination of a wave finite element and a transfer matrix method. Although giving a lower computational cost, the present approach keeps the same accuracy of classic finite element methods. When dealing with homogeneous structures, the accuracy is also extended to higher frequencies, without increasing the time of calculation. Depending on the complexity of the structure and the frequency range, the computational cost can be reduced more than two orders of magnitude. The presented methodology is validated both for simple and complex structural shapes, under deterministic and random loads.

Parametric Stiffness Control of Flexible Structures

NASA Technical Reports Server (NTRS)

Moon, F. C.; Rand, R. H.

1985-01-01

An unconventional method for control of flexible space structures using feedback control of certain elements of the stiffness matrix is discussed. The advantage of using this method of configuration control is that it can be accomplished in practical structures by changing the initial stress state in the structure. The initial stress state can be controlled hydraulically or by cables. The method leads, however, to nonlinear control equations. In particular, a long slender truss structure under cable induced initial compression is examined. both analytical and numerical analyses are presented. Nonlinear analysis using center manifold theory and normal form theory is used to determine criteria on the nonlinear control gains for stable or unstable operation. The analysis is made possible by the use of the exact computer algebra system MACSYMA.

Application of the Probabilistic Dynamic Synthesis Method to the Analysis of a Realistic Structure

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1998-01-01

The Probabilistic Dynamic Synthesis method is a new technique for obtaining the statistics of a desired response engineering quantity for a structure with non-deterministic parameters. The method uses measured data from modal testing of the structure as the input random variables, rather than more "primitive" quantities like geometry or material variation. This modal information is much more comprehensive and easily measured than the "primitive" information. The probabilistic analysis is carried out using either response surface reliability methods or Monte Carlo simulation. A previous work verified the feasibility of the PDS method on a simple seven degree-of-freedom spring-mass system. In this paper, extensive issues involved with applying the method to a realistic three-substructure system are examined, and free and forced response analyses are performed. The results from using the method are promising, especially when the lack of alternatives for obtaining quantitative output for probabilistic structures is considered.

Application of the Probabilistic Dynamic Synthesis Method to Realistic Structures

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1998-01-01

The Probabilistic Dynamic Synthesis method is a technique for obtaining the statistics of a desired response engineering quantity for a structure with non-deterministic parameters. The method uses measured data from modal testing of the structure as the input random variables, rather than more "primitive" quantities like geometry or material variation. This modal information is much more comprehensive and easily measured than the "primitive" information. The probabilistic analysis is carried out using either response surface reliability methods or Monte Carlo simulation. In previous work, the feasibility of the PDS method applied to a simple seven degree-of-freedom spring-mass system was verified. In this paper, extensive issues involved with applying the method to a realistic three-substructure system are examined, and free and forced response analyses are performed. The results from using the method are promising, especially when the lack of alternatives for obtaining quantitative output for probabilistic structures is considered.

Parameter Accuracy in Meta-Analyses of Factor Structures

ERIC Educational Resources Information Center

Gnambs, Timo; Staufenbiel, Thomas

2016-01-01

Two new methods for the meta-analysis of factor loadings are introduced and evaluated by Monte Carlo simulations. The direct method pools each factor loading individually, whereas the indirect method synthesizes correlation matrices reproduced from factor loadings. The results of the two simulations demonstrated that the accuracy of…

Application of Hydrophilic Silanol-Based Chemical Grout for Strengthening Damaged Reinforced Concrete Flexural Members

PubMed Central

Ju, Hyunjin; Lee, Deuck Hang; Cho, Hae-Chang; Kim, Kang Su; Yoon, Seyoon; Seo, Soo-Yeon

2014-01-01

In this study, hydrophilic chemical grout using silanol (HCGS) was adopted to overcome the performance limitations of epoxy materials used for strengthening existing buildings and civil engineering structures. The enhanced material performances of HCGS were introduced, and applied to the section enlargement method, which is one of the typical structural strengthening methods used in practice. To evaluate the excellent structural strengthening performance of the HCGS, structural tests were conducted on reinforced concrete beams, and analyses on the flexural behaviors of test specimens were performed by modified partial interaction theory (PIT). In particular, to improve the constructability of the section enlargement method, an advanced strengthening method was proposed, in which the precast panel was directly attached to the bottom of the damaged structural member by HCGS, and the degree of connection of the test specimens, strengthened by the section enlargement method, were quantitatively evaluated by PIT-based analysis. PMID:28788708

Application of Hydrophilic Silanol-Based Chemical Grout for Strengthening Damaged Reinforced Concrete Flexural Members.

PubMed

Ju, Hyunjin; Lee, Deuck Hang; Cho, Hae-Chang; Kim, Kang Su; Yoon, Seyoon; Seo, Soo-Yeon

2014-06-23

In this study, hydrophilic chemical grout using silanol (HCGS) was adopted to overcome the performance limitations of epoxy materials used for strengthening existing buildings and civil engineering structures. The enhanced material performances of HCGS were introduced, and applied to the section enlargement method, which is one of the typical structural strengthening methods used in practice. To evaluate the excellent structural strengthening performance of the HCGS, structural tests were conducted on reinforced concrete beams, and analyses on the flexural behaviors of test specimens were performed by modified partial interaction theory (PIT). In particular, to improve the constructability of the section enlargement method, an advanced strengthening method was proposed, in which the precast panel was directly attached to the bottom of the damaged structural member by HCGS, and the degree of connection of the test specimens, strengthened by the section enlargement method, were quantitatively evaluated by PIT-based analysis.

On the Exploitation of Sensitivity Derivatives for Improving Sampling Methods

NASA Technical Reports Server (NTRS)

Cao, Yanzhao; Hussaini, M. Yousuff; Zang, Thomas A.

2003-01-01

Many application codes, such as finite-element structural analyses and computational fluid dynamics codes, are capable of producing many sensitivity derivatives at a small fraction of the cost of the underlying analysis. This paper describes a simple variance reduction method that exploits such inexpensive sensitivity derivatives to increase the accuracy of sampling methods. Three examples, including a finite-element structural analysis of an aircraft wing, are provided that illustrate an order of magnitude improvement in accuracy for both Monte Carlo and stratified sampling schemes.

Impact Mechanics

NASA Astrophysics Data System (ADS)

Stronge, W. J.

2004-03-01

Impact mechanics is concerned with the reaction forces that develop during a collision and the dynamic response of structures to these reaction forces. The subject has a wide range of engineering applications, from designing sports equipment to improving the crashworthiness of automobiles. This book develops several different methodologies for analysing collisions between structures. These range from rigid body theory for structures that are stiff and compact, to vibration and wave analyses for flexible structures. The emphasis is on low-speed impact where damage is local to the small region of contact between the colliding bodies. The analytical methods presented give results that are more robust or less sensitive to initial conditions than have been achieved hitherto. As a text, Impact Mechanics builds upon foundation courses in dynamics and strength of materials. It includes numerous industrially relevant examples and end-of-chapter homework problems drawn from industry and sports. Practising engineers will also find the methods presented in this book useful in calculating the response of a mechanical system to impact.

On the analytical modeling of the nonlinear vibrations of pretensioned space structures

NASA Technical Reports Server (NTRS)

Housner, J. M.; Belvin, W. K.

1983-01-01

Pretensioned structures are receiving considerable attention as candidate large space structures. A typical example is a hoop-column antenna. The large number of preloaded members requires efficient analytical methods for concept validation and design. Validation through analyses is especially important since ground testing may be limited due to gravity effects and structural size. The present investigation has the objective to present an examination of the analytical modeling of pretensioned members undergoing nonlinear vibrations. Two approximate nonlinear analysis are developed to model general structural arrangements which include beam-columns and pretensioned cables attached to a common nucleus, such as may occur at a joint of a pretensioned structure. Attention is given to structures undergoing nonlinear steady-state oscillations due to sinusoidal excitation forces. Three analyses, linear, quasi-linear, and nonlinear are conducted and applied to study the response of a relatively simple cable stiffened structure.

Case Study of a Gifted and Talented Catholic Dominican Nun

ERIC Educational Resources Information Center

Lavin, Angela

2017-01-01

The case of a gifted and talented Catholic Dominican nun is described and analysed in the context of Renzulli's Three-Ring Conception of Giftedness and Gagne's Differentiated Model of Giftedness and Talent. Using qualitative methods, semi-structured interviews of relevant individuals were conducted and analysed. Based on the conclusions of this…

Analysing the magnetopause internal structure: new possibilities offered by MMS

NASA Astrophysics Data System (ADS)

Belmont, G.; Rezeau, L.; Manuzzo, R.; Aunai, N.; Dargent, J.

2017-12-01

We explore the structure of the magnetopause using a crossing observed by the MMS spacecraft on October 16th, 2015. Several methods (MVA, BV, CVA) are first applied to compute the normal to the magnetopause considered as a whole. The different results obtained are not identical and we show that the whole boundary is not stationary and not planar, so that basic assumptions of these methods are not well satisfied. We then analyse more finely the internal structure for investigating the departures from planarity. Using the basic mathematical definition of what is a one-dimensional physical problem, we introduce a new method, called LNA (Local Normal Analysis) for determining the varying normal, and we compare the results so obtained with those coming from the MDD tool developed by [Shi et al., 2005]. This method gives the dimensionality of the magnetic variations from multi-point measurements and allows estimating the direction of the local normal using the magnetic field. On the other hand, LNA is a single-spacecraft method which gives the local normal from the magnetic field and particle data. This study shows that the magnetopause does include approximate one-dimensional sub-structures but also two and three dimensional intervals. It also shows that the dimensionality of the magnetic variations can differ from the variations of the other fields so that, at some places, the magnetic field can have a 1D structure although all the plasma variations do not verify the properties of a global one-dimensional problem. Finally a generalisation and a systematic application of the MDD method to the physical quantities of interest is shown.

High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method.

PubMed

Higashiura, Akifumi; Ohta, Kazunori; Masaki, Mika; Sato, Masaru; Inaka, Koji; Tanaka, Hiroaki; Nakagawa, Atsushi

2013-11-01

Recently, many technical improvements in macromolecular X-ray crystallography have increased the number of structures deposited in the Protein Data Bank and improved the resolution limit of protein structures. Almost all high-resolution structures have been determined using a synchrotron radiation source in conjunction with cryocooling techniques, which are required in order to minimize radiation damage. However, optimization of cryoprotectant conditions is a time-consuming and difficult step. To overcome this problem, the high-pressure cryocooling method was developed (Kim et al., 2005) and successfully applied to many protein-structure analyses. In this report, using the high-pressure cryocooling method, the X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. Structural comparisons between high- and ambient-pressure cryocooled crystals at ultra-high resolution illustrate the versatility of this technique. This is the first ultra-high-resolution X-ray structure obtained using the high-pressure cryocooling method.

A Review of Recent Aeroelastic Analysis Methods for Propulsion at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Bakhle, Milind A.; Srivastava, R.; Mehmed, Oral; Stefko, George L.

1993-01-01

This report reviews aeroelastic analyses for propulsion components (propfans, compressors and turbines) being developed and used at NASA LeRC. These aeroelastic analyses include both structural and aerodynamic models. The structural models include a typical section, a beam (with and without disk flexibility), and a finite-element blade model (with plate bending elements). The aerodynamic models are based on the solution of equations ranging from the two-dimensional linear potential equation to the three-dimensional Euler equations for multibladed configurations. Typical calculated results are presented for each aeroelastic model. Suggestions for further research are made. Many of the currently available aeroelastic models and analysis methods are being incorporated in a unified computer program, APPLE (Aeroelasticity Program for Propulsion at LEwis).

Probabilistic structural mechanics research for parallel processing computers

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

1991-01-01

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Zinc oxide hierarchical nanostructures for photocatalysis

NASA Astrophysics Data System (ADS)

Yukhnovets, O.; Semenova, A. A.; Levkevich, E. A.; Maximov, A. I.; Moshnikov, V. A.

2018-03-01

In this work, we perform the study of zinc oxide hierarchical structures synthesized by the low-temperature hydrothermal method. The paper considers morphological properties of obtained structures. Photocatalytic activity of samples was analysed by methyl orange degradation under UV irradiation. The sufficient decrease in methyl orange has been demonstrated.

Analysis of variability in additive manufactured open cell porous structures.

PubMed

Evans, Sam; Jones, Eric; Fox, Pete; Sutcliffe, Chris

2017-06-01

In this article, a novel method of analysing build consistency of additively manufactured open cell porous structures is presented. Conventionally, methods such as micro computed tomography or scanning electron microscopy imaging have been applied to the measurement of geometric properties of porous material; however, high costs and low speeds make them unsuitable for analysing high volumes of components. Recent advances in the image-based analysis of open cell structures have opened up the possibility of qualifying variation in manufacturing of porous material. Here, a photogrammetric method of measurement, employing image analysis to extract values for geometric properties, is used to investigate the variation between identically designed porous samples measuring changes in material thickness and pore size, both intra- and inter-build. Following the measurement of 125 samples, intra-build material thickness showed variation of ±12%, and pore size ±4% of the mean measured values across five builds. Inter-build material thickness and pore size showed mean ranges higher than those of intra-build, ±16% and ±6% of the mean material thickness and pore size, respectively. Acquired measurements created baseline variation values and demonstrated techniques suitable for tracking build deviation and inspecting additively manufactured porous structures to indicate unwanted process fluctuations.

Mathematical methods for protein science

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

Hart, W.; Istrail, S.; Atkins, J.

1997-12-31

Understanding the structure and function of proteins is a fundamental endeavor in molecular biology. Currently, over 100,000 protein sequences have been determined by experimental methods. The three dimensional structure of the protein determines its function, but there are currently less than 4,000 structures known to atomic resolution. Accordingly, techniques to predict protein structure from sequence have an important role in aiding the understanding of the Genome and the effects of mutations in genetic disease. The authors describe current efforts at Sandia to better understand the structure of proteins through rigorous mathematical analyses of simple lattice models. The efforts have focusedmore » on two aspects of protein science: mathematical structure prediction, and inverse protein folding.« less

Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

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

Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P.

2016-05-06

The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustratemore » the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.« less

Forecast and analysis of the ratio of electric energy to terminal energy consumption for global energy internet

NASA Astrophysics Data System (ADS)

Wang, Wei; Zhong, Ming; Cheng, Ling; Jin, Lu; Shen, Si

2018-02-01

In the background of building global energy internet, it has both theoretical and realistic significance for forecasting and analysing the ratio of electric energy to terminal energy consumption. This paper firstly analysed the influencing factors of the ratio of electric energy to terminal energy and then used combination method to forecast and analyse the global proportion of electric energy. And then, construct the cointegration model for the proportion of electric energy by using influence factor such as electricity price index, GDP, economic structure, energy use efficiency and total population level. At last, this paper got prediction map of the proportion of electric energy by using the combination-forecasting model based on multiple linear regression method, trend analysis method, and variance-covariance method. This map describes the development trend of the proportion of electric energy in 2017-2050 and the proportion of electric energy in 2050 was analysed in detail using scenario analysis.

[T-MADE, a transcultural method of "listening" to a child's drawing].

PubMed

Rizzi, Alice Titia

2016-01-01

T-MADE is an original method for analysing children's drawings, structured around two dimensions: the category of the content and that of the valences. This method is profoundly cross-cultural. It meets the clinical, epistemological and ontological need to mix language and worlds. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

An analysis of the influence of production conditions on the development of the microporous structure of the activated carbon fibres using the LBET method

NASA Astrophysics Data System (ADS)

Kwiatkowski, Mirosław

2017-12-01

The paper presents the results of the research on the application of the new analytical models of multilayer adsorption on heterogeneous surfaces with the unique fast multivariant identification procedure, together called LBET method, as a tool for analysing the microporous structure of the activated carbon fibres obtained from polyacrylonitrile by chemical activation using potassium and sodium hydroxides. The novel LBET method was employed particularly to evaluate the impact of the used activator and the hydroxide to polyacrylonitrile ratio on the obtained microporous structure of the activated carbon fibres.

Nonlinear earthquake analysis of reinforced concrete frames with fiber and Bernoulli-Euler beam-column element.

PubMed

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched.

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.

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.

Similarity Measures for Protein Ensembles

PubMed Central

Lindorff-Larsen, Kresten; Ferkinghoff-Borg, Jesper

2009-01-01

Analyses of similarities and changes in protein conformation can provide important information regarding protein function and evolution. Many scores, including the commonly used root mean square deviation, have therefore been developed to quantify the similarities of different protein conformations. However, instead of examining individual conformations it is in many cases more relevant to analyse ensembles of conformations that have been obtained either through experiments or from methods such as molecular dynamics simulations. We here present three approaches that can be used to compare conformational ensembles in the same way as the root mean square deviation is used to compare individual pairs of structures. The methods are based on the estimation of the probability distributions underlying the ensembles and subsequent comparison of these distributions. We first validate the methods using a synthetic example from molecular dynamics simulations. We then apply the algorithms to revisit the problem of ensemble averaging during structure determination of proteins, and find that an ensemble refinement method is able to recover the correct distribution of conformations better than standard single-molecule refinement. PMID:19145244

Review of the probabilistic failure analysis methodology and other probabilistic approaches for application in aerospace structural design

NASA Technical Reports Server (NTRS)

Townsend, J.; Meyers, C.; Ortega, R.; Peck, J.; Rheinfurth, M.; Weinstock, B.

1993-01-01

Probabilistic structural analyses and design methods are steadily gaining acceptance within the aerospace industry. The safety factor approach to design has long been the industry standard, and it is believed by many to be overly conservative and thus, costly. A probabilistic approach to design may offer substantial cost savings. This report summarizes several probabilistic approaches: the probabilistic failure analysis (PFA) methodology developed by Jet Propulsion Laboratory, fast probability integration (FPI) methods, the NESSUS finite element code, and response surface methods. Example problems are provided to help identify the advantages and disadvantages of each method.

Lidar-Based Rock-Fall Hazard Characterization of Cliffs

USGS Publications Warehouse

Collins, Brian D.; Greg M.Stock,

2017-01-01

Rock falls from cliffs and other steep slopes present numerous challenges for detailed geological characterization. In steep terrain, rock-fall source areas are both dangerous and difficult to access, severely limiting the ability to make detailed structural and volumetric measurements necessary for hazard assessment. Airborne and terrestrial lidar survey methods can provide high-resolution data needed for volumetric, structural, and deformation analyses of rock falls, potentially making these analyses straightforward and routine. However, specific methods to collect, process, and analyze lidar data of steep cliffs are needed to maximize analytical accuracy and efficiency. This paper presents observations showing how lidar data sets should be collected, filtered, registered, and georeferenced to tailor their use in rock fall characterization. Additional observations concerning surface model construction, volumetric calculations, and deformation analysis are also provided.

Characteristics of amorphous kerogens fractionated from terrigenous sedimentary rocks

NASA Astrophysics Data System (ADS)

Suzuki, Noriyuki

1984-02-01

A preliminary attempt to fractionate amorphous kerogens from terrigenous bulk kerogen by a benzene-water two phase partition method under acidic condition was made. Microscopic observation revealed that amorphous kerogens and structured kerogens were fractionated effectively by this method. Characteristics of the amorphous and structured kerogens fractionated by this method were examined by some chemical analyses and compared with those of the bulk kerogen and humic acid isolated from the same rock sample (Haizume Formation, Pleistocene, Japan). The elemental and infrared (IR) analyses showed that the amorphous kerogen fraction had the highest atomic H/C ratio and the lowest atomic N/C ratio and was the richest in aliphatic structures and carbonyl and carboxyl functional groups. Quantities of fatty acids from the saponification products of each geopolymer were in agreement with the results of elemental and IR analyses. Distribution of the fatty acids was suggestive that more animal lipids participate in the formation of amorphous kerogens because of the abundance of relatively lower molecular weight fatty acids (such as C 16 and C 18 acids) in saponification products of amorphous kerogens. On the other hand, although the amorphous kerogen fraction tends to be rich in aliphatic structures compared with bulk kerogen of the same rock samples, van Krevelen plots of elemental compositions of kerogens from the core samples (Nishiyama Oil Field, Tertiary, Japan) reveal that the amorphous kerogen fraction is not necessarily characterized by markedly high atomic H/C ratio. This was attributed to the oxic environment of deposition and the abundance of biodegraded terrestrial amorphous organic matter in the amorphous kerogen fraction used in this work.

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.

The Effect of Coach Expectations on Female Athletes' Motivation to Play: A Mixed Methods Approach

ERIC Educational Resources Information Center

Buning, Megan Matthews

2013-01-01

This concurrent, embedded mixed methods study used predominantly quantitative analyses to examine coach expectations and behaviors on female athletes' intrinsic motivation to play softball. Qualitative methods in the form of structured, open-ended questions were used to enhance the data by examining athletes' perceptions of coaching…

Bending analyses for 3D engineered structural panels made from laminated paper and carbon fabric

Treesearch

Jinghao Li; John F. Hunt; Zhiyong Cai; Xianyan Zhou

2013-01-01

This paper presents analysis of a 3-dimensional engineered structural panel (3DESP) having a tri-axial core structure made from phenolic impregnated laminated-paper composites with and without high strength composite carbon-fiber fabric laminated to the outside of both faces. Both I-beam equations and finite element method were used to analyze four-point bending of the...

Vibro-acoustic performance of newly designed tram track structures

NASA Astrophysics Data System (ADS)

Haladin, Ivo; Lakušić, Stjepan; Ahac, Maja

2017-09-01

Rail vehicles in interaction with a railway structure induce vibrations that are propagating to surrounding structures and cause noise disturbance in the surrounding areas. Since tram tracks in urban areas often share the running surface with road vehicles one of top priorities is to achieve low maintenance and long lasting structure. Research conducted in scope of this paper gives an overview of newly designed tram track structures designated for use on Zagreb tram network and their performance in terms of noise and vibration mitigation. Research has been conducted on a 150 m long test section consisted of three tram track types: standard tram track structure commonly used on tram lines in Zagreb, optimized tram structure for better noise and vibration mitigation and a slab track with double sleepers embedded in a concrete slab, which presents an entirely new approach of tram track construction in Zagreb. Track has been instrumented with acceleration sensors, strain gauges and revision shafts for inspection. Relative deformations give an insight into track structure dynamic load distribution through the exploitation period. Further the paper describes vibro-acoustic measurements conducted at the test site. To evaluate the track performance from the vibro-acoustical standpoint, detailed analysis of track decay rate has been analysed. Opposed to measurement technique using impact hammer for track decay rate measurements, newly developed measuring technique using vehicle pass by vibrations as a source of excitation has been proposed and analysed. Paper gives overview of the method, it’s benefits compared to standard method of track decay rate measurements and method evaluation based on noise measurements of the vehicle pass by.

Testing Mediation Using Multiple Regression and Structural Equation Modeling Analyses in Secondary Data

ERIC Educational Resources Information Center

Li, Spencer D.

2011-01-01

Mediation analysis in child and adolescent development research is possible using large secondary data sets. This article provides an overview of two statistical methods commonly used to test mediated effects in secondary analysis: multiple regression and structural equation modeling (SEM). Two empirical studies are presented to illustrate the…

Mass spectrometry: Raw protein from the top down

NASA Astrophysics Data System (ADS)

Breuker, Kathrin

2018-02-01

Mass spectrometry is a powerful technique for analysing proteins, yet linking higher-order protein structure to amino acid sequence and post-translational modifications is far from simple. Now, a native top-down method has been developed that can provide information on higher-order protein structure and different proteoforms at the same time.

A Method to Examine Content Domain Structures

ERIC Educational Resources Information Center

D'Agostino, Jerome; Karpinski, Aryn; Welsh, Megan

2011-01-01

After a test is developed, most content validation analyses shift from ascertaining domain definition to studying domain representation and relevance because the domain is assumed to be set once a test exists. We present an approach that allows for the examination of alternative domain structures based on extant test items. In our example based on…

The Scottish Structural Proteomics Facility: targets, methods and outputs.

PubMed

Oke, Muse; Carter, Lester G; Johnson, Kenneth A; Liu, Huanting; McMahon, Stephen A; Yan, Xuan; Kerou, Melina; Weikart, Nadine D; Kadi, Nadia; Sheikh, Md Arif; Schmelz, Stefan; Dorward, Mark; Zawadzki, Michal; Cozens, Christopher; Falconer, Helen; Powers, Helen; Overton, Ian M; van Niekerk, C A Johannes; Peng, Xu; Patel, Prakash; Garrett, Roger A; Prangishvili, David; Botting, Catherine H; Coote, Peter J; Dryden, David T F; Barton, Geoffrey J; Schwarz-Linek, Ulrich; Challis, Gregory L; Taylor, Garry L; White, Malcolm F; Naismith, James H

2010-06-01

The Scottish Structural Proteomics Facility was funded to develop a laboratory scale approach to high throughput structure determination. The effort was successful in that over 40 structures were determined. These structures and the methods harnessed to obtain them are reported here. This report reflects on the value of automation but also on the continued requirement for a high degree of scientific and technical expertise. The efficiency of the process poses challenges to the current paradigm of structural analysis and publication. In the 5 year period we published ten peer-reviewed papers reporting structural data arising from the pipeline. Nevertheless, the number of structures solved exceeded our ability to analyse and publish each new finding. By reporting the experimental details and depositing the structures we hope to maximize the impact of the project by allowing others to follow up the relevant biology.

Strength Analysis on Ship Ladder Using Finite Element Method

NASA Astrophysics Data System (ADS)

Budianto; Wahyudi, M. T.; Dinata, U.; Ruddianto; Eko P., M. M.

2018-01-01

In designing the ship’s structure, it should refer to the rules in accordance with applicable classification standards. In this case, designing Ladder (Staircase) on a Ferry Ship which is set up, it must be reviewed based on the loads during ship operations, either during sailing or at port operations. The classification rules in ship design refer to the calculation of the structure components described in Classification calculation method and can be analysed using the Finite Element Method. Classification Regulations used in the design of Ferry Ships used BKI (Bureau of Classification Indonesia). So the rules for the provision of material composition in the mechanical properties of the material should refer to the classification of the used vessel. The analysis in this structure used program structure packages based on Finite Element Method. By using structural analysis on Ladder (Ladder), it obtained strength and simulation structure that can withstand load 140 kg both in static condition, dynamic, and impact. Therefore, the result of the analysis included values of safety factors in the ship is to keep the structure safe but the strength of the structure is not excessive.

Aeroelastic Stability & Response of Rotating Structures

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Reddy, T. S. R.

2001-01-01

A summary of the work performed under NASA grant NCC3-605 is presented. More details can be found in the cited references. This grant led to the development of relatively faster aeroelastic analyses methods for predicting flutter and forced response in fans, compressors, and turbines using computational fluid dynamic (CFD) methods.

Preparation of porous Si and TiO 2 nanofibres using a sulphur-templating method for lithium storage

DOE PAGES

McCormac, Kathleen; Byrd, Ian; Brannen, Rodney; ...

2015-02-03

We prepared highly porous Si/TiO 2 composite nanofibres using a unique sulphur-templating method combined with electrospinning. The structure, morphology, surface area, phase and composition of these nanofibres were characterized using Raman spectroscopy, scanning electron microscopy, powder X-ray diffraction, surface area analyser and thermogravimetric analyser. The specific surface area of Si/TiO 2 porous NFs is as large as 387m 2g -1, whose silicon capacity can be maintained above 1580mAhg -1 in 180 cycles.

Method for detecting damage in carbon-fibre reinforced plastic-steel structures based on eddy current pulsed thermography

NASA Astrophysics Data System (ADS)

Li, Xuan; Liu, Zhiping; Jiang, Xiaoli; Lodewijks, Gabrol

2018-01-01

Eddy current pulsed thermography (ECPT) is well established for non-destructive testing of electrical conductive materials, featuring the advantages of contactless, intuitive detecting and efficient heating. The concept of divergence characterization of the damage rate of carbon fibre-reinforced plastic (CFRP)-steel structures can be extended to ECPT thermal pattern characterization. It was found in this study that the use of ECPT technology on CFRP-steel structures generated a sizeable amount of valuable information for comprehensive material diagnostics. The relationship between divergence and transient thermal patterns can be identified and analysed by deploying mathematical models to analyse the information about fibre texture-like orientations, gaps and undulations in these multi-layered materials. The developed algorithm enabled the removal of information about fibre texture and the extraction of damage features. The model of the CFRP-glue-steel structures with damage was established using COMSOL Multiphysics® software, and quantitative non-destructive damage evaluation from the ECPT image areas was derived. The results of this proposed method illustrate that damaged areas are highly affected by available information about fibre texture. This proposed work can be applied for detection of impact induced damage and quantitative evaluation of CFRP structures.

Automated mesostructural analyses using GIS, Beta test: Paleozoic structures from the New Jersey Great Valley region

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

Herman, G.C.; French, M.A.; Monteverde, D.H.

1993-03-01

An automated method has been developed for representing outcrop data on geologic structures on maps. Using a MS-DOS custom database management system in conjunction with the ARC/INFO Geographic Information System (GIS), trends of geologic structures are plotted with user-specific symbols. The length of structural symbols can be frequency-weighted based on collective values from structural domains. The PC-based data manager is the NJGS Field data Management System (FMS) Version 2.0 which includes sort, output, and analysis functions for structural data input in either azimuth or quadrant form. Program options include lineament sorting, data output to other data management and analysis software,more » and a circular histogram (rose diagram) routine for trend frequency analysis. Trends can be displayed with either half-or full-rose diagrams using either 10[degree] sectors or one degree spikes for strike, trend, or dip azimuth readings. Scalar and vector statistics are both included. For the mesostructural analysis, ASCII files containing the station number, structural trend and inclination, and plot-symbol-length value are downloaded from FMS and uploaded into an ARC/INFO macro which sequentially plots the information. Plots can be generated in conjunction with any complimentary GIS coverage for various types of spatial analyses. Mesostructural plots can be used for regional tectonic analyses, for hydrogeologic analysis of fractured bedrock aquifers, or for ground-truthing data from fracture-trace or lineament analyses.« less

Guidelines for a graph-theoretic implementation of structural equation modeling

USGS Publications Warehouse

Grace, James B.; Schoolmaster, Donald R.; Guntenspergen, Glenn R.; Little, Amanda M.; Mitchell, Brian R.; Miller, Kathryn M.; Schweiger, E. William

2012-01-01

Structural equation modeling (SEM) is increasingly being chosen by researchers as a framework for gaining scientific insights from the quantitative analyses of data. New ideas and methods emerging from the study of causality, influences from the field of graphical modeling, and advances in statistics are expanding the rigor, capability, and even purpose of SEM. Guidelines for implementing the expanded capabilities of SEM are currently lacking. In this paper we describe new developments in SEM that we believe constitute a third-generation of the methodology. Most characteristic of this new approach is the generalization of the structural equation model as a causal graph. In this generalization, analyses are based on graph theoretic principles rather than analyses of matrices. Also, new devices such as metamodels and causal diagrams, as well as an increased emphasis on queries and probabilistic reasoning, are now included. Estimation under a graph theory framework permits the use of Bayesian or likelihood methods. The guidelines presented start from a declaration of the goals of the analysis. We then discuss how theory frames the modeling process, requirements for causal interpretation, model specification choices, selection of estimation method, model evaluation options, and use of queries, both to summarize retrospective results and for prospective analyses. The illustrative example presented involves monitoring data from wetlands on Mount Desert Island, home of Acadia National Park. Our presentation walks through the decision process involved in developing and evaluating models, as well as drawing inferences from the resulting prediction equations. In addition to evaluating hypotheses about the connections between human activities and biotic responses, we illustrate how the structural equation (SE) model can be queried to understand how interventions might take advantage of an environmental threshold to limit Typha invasions. The guidelines presented provide for an updated definition of the SEM process that subsumes the historical matrix approach under a graph-theory implementation. The implementation is also designed to permit complex specifications and to be compatible with various estimation methods. Finally, they are meant to foster the use of probabilistic reasoning in both retrospective and prospective considerations of the quantitative implications of the results.

Identifying intrinsically disordered protein regions likely to undergo binding-induced helical transitions.

PubMed

Glover, Karen; Mei, Yang; Sinha, Sangita C

2016-10-01

Many proteins contain intrinsically disordered regions (IDRs) lacking stable secondary and ordered tertiary structure. IDRs are often implicated in macromolecular interactions, and may undergo structural transitions upon binding to interaction partners. However, as binding partners of many protein IDRs are unknown, these structural transitions are difficult to verify and often are poorly understood. In this study we describe a method to identify IDRs that are likely to undergo helical transitions upon binding. This method combines bioinformatics analyses followed by circular dichroism spectroscopy to monitor 2,2,2-trifluoroethanol (TFE)-induced changes in secondary structure content of these IDRs. Our results demonstrate that there is no significant change in the helicity of IDRs that are not predicted to fold upon binding. IDRs that are predicted to fold fall into two groups: one group does not become helical in the presence of TFE and includes examples of IDRs that form β-strands upon binding, while the other group becomes more helical and includes examples that are known to fold into helices upon binding. Therefore, we propose that bioinformatics analyses combined with experimental evaluation using TFE may provide a general method to identify IDRs that undergo binding-induced disorder-to-helix transitions. Copyright © 2016 Elsevier B.V. All rights reserved.

Weight optimization of an aerobrake structural concept for a lunar transfer vehicle

NASA Technical Reports Server (NTRS)

Bush, Lance B.; Unal, Resit; Rowell, Lawrence F.; Rehder, John J.

1992-01-01

An aerobrake structural concept for a lunar transfer vehicle was weight optimized through the use of the Taguchi design method, finite element analyses, and element sizing routines. Six design parameters were chosen to represent the aerobrake structural configuration. The design parameters included honeycomb core thickness, diameter-depth ratio, shape, material, number of concentric ring frames, and number of radial frames. Each parameter was assigned three levels. The aerobrake structural configuration with the minimum weight was 44 percent less than the average weight of all the remaining satisfactory experimental configurations. In addition, the results of this study have served to bolster the advocacy of the Taguchi method for aerospace vehicle design. Both reduced analysis time and an optimized design demonstrated the applicability of the Taguchi method to aerospace vehicle design.

Cryogenic Tank Structure Sizing With Structural Optimization Method

NASA Technical Reports Server (NTRS)

Wang, J. T.; Johnson, T. F.; Sleight, D. W.; Saether, E.

2001-01-01

Structural optimization methods in MSC /NASTRAN are used to size substructures and to reduce the weight of a composite sandwich cryogenic tank for future launch vehicles. Because the feasible design space of this problem is non-convex, many local minima are found. This non-convex problem is investigated in detail by conducting a series of analyses along a design line connecting two feasible designs. Strain constraint violations occur for some design points along the design line. Since MSC/NASTRAN uses gradient-based optimization procedures. it does not guarantee that the lowest weight design can be found. In this study, a simple procedure is introduced to create a new starting point based on design variable values from previous optimization analyses. Optimization analysis using this new starting point can produce a lower weight design. Detailed inputs for setting up the MSC/NASTRAN optimization analysis and final tank design results are presented in this paper. Approaches for obtaining further weight reductions are also discussed.

Transmembrane helix prediction: a comparative evaluation and analysis.

PubMed

Cuthbertson, Jonathan M; Doyle, Declan A; Sansom, Mark S P

2005-06-01

The prediction of transmembrane (TM) helices plays an important role in the study of membrane proteins, given the relatively small number (approximately 0.5% of the PDB) of high-resolution structures for such proteins. We used two datasets (one redundant and one non-redundant) of high-resolution structures of membrane proteins to evaluate and analyse TM helix prediction. The redundant (non-redundant) dataset contains structure of 434 (268) TM helices, from 112 (73) polypeptide chains. Of the 434 helices in the dataset, 20 may be classified as 'half-TM' as they are too short to span a lipid bilayer. We compared 13 TM helix prediction methods, evaluating each method using per segment, per residue and termini scores. Four methods consistently performed well: SPLIT4, TMHMM2, HMMTOP2 and TMAP. However, even the best methods were in error by, on average, about two turns of helix at the TM helix termini. The best and worst case predictions for individual proteins were analysed. In particular, the performance of the various methods and of a consensus prediction method, were compared for a number of proteins (e.g. SecY, ClC, KvAP) containing half-TM helices. The difficulties of predicting half-TM helices suggests that current prediction methods successfully embody the two-state model of membrane protein folding, but do not accommodate a third stage in which, e.g., short helices and re-entrant loops fold within a bundle of stable TM helices.

Fatigue reliability of deck structures subjected to correlated crack growth

NASA Astrophysics Data System (ADS)

Feng, G. Q.; Garbatov, Y.; Guedes Soares, C.

2013-12-01

The objective of this work is to analyse fatigue reliability of deck structures subjected to correlated crack growth. The stress intensity factors of the correlated cracks are obtained by finite element analysis and based on which the geometry correction functions are derived. The Monte Carlo simulations are applied to predict the statistical descriptors of correlated cracks based on the Paris-Erdogan equation. A probabilistic model of crack growth as a function of time is used to analyse the fatigue reliability of deck structures accounting for the crack propagation correlation. A deck structure is modelled as a series system of stiffened panels, where a stiffened panel is regarded as a parallel system composed of plates and are longitudinal. It has been proven that the method developed here can be conveniently applied to perform the fatigue reliability assessment of structures subjected to correlated crack growth.

Global Dynamics of Proteins: Bridging Between Structure and Function

PubMed Central

Bahar, Ivet; Lezon, Timothy R.; Yang, Lee-Wei; Eyal, Eran

2010-01-01

Biomolecular systems possess unique, structure-encoded dynamic properties that underlie their biological functions. Recent studies indicate that these dynamic properties are determined to a large extent by the topology of native contacts. In recent years, elastic network models used in conjunction with normal mode analyses have proven to be useful for elucidating the collective dynamics intrinsically accessible under native state conditions, including in particular the global modes of motions that are robustly defined by the overall architecture. With increasing availability of structural data for well-studied proteins in different forms (liganded, complexed, or free), there is increasing evidence in support of the correspondence between functional changes in structures observed in experiments and the global motions predicted by these coarse-grained analyses. These observed correlations suggest that computational methods may be advantageously employed for assessing functional changes in structure and allosteric mechanisms intrinsically favored by the native fold. PMID:20192781

Global dynamics of proteins: bridging between structure and function.

PubMed

Bahar, Ivet; Lezon, Timothy R; Yang, Lee-Wei; Eyal, Eran

2010-01-01

Biomolecular systems possess unique, structure-encoded dynamic properties that underlie their biological functions. Recent studies indicate that these dynamic properties are determined to a large extent by the topology of native contacts. In recent years, elastic network models used in conjunction with normal mode analyses have proven to be useful for elucidating the collective dynamics intrinsically accessible under native state conditions, including in particular the global modes of motions that are robustly defined by the overall architecture. With increasing availability of structural data for well-studied proteins in different forms (liganded, complexed, or free), there is increasing evidence in support of the correspondence between functional changes in structures observed in experiments and the global motions predicted by these coarse-grained analyses. These observed correlations suggest that computational methods may be advantageously employed for assessing functional changes in structure and allosteric mechanisms intrinsically favored by the native fold.

The QUELCE Method: Using Change Drivers to Estimate Program Costs

DTIC Science & Technology

2016-08-01

QUELCE computes a distribution of program costs based on Monte Carlo analysis of program cost drivers—assessed via analyses of dependency structure...possible scenarios. These include  a dependency structure matrix to understand the interaction of change drivers for a specific project  a...performed by the SEI or by company analysts. From the workshop results, analysts create a dependency structure matrix (DSM) of the change drivers

Genetic Structure of Bluefin Tuna in the Mediterranean Sea Correlates with Environmental Variables

PubMed Central

Riccioni, Giulia; Stagioni, Marco; Landi, Monica; Ferrara, Giorgia; Barbujani, Guido; Tinti, Fausto

2013-01-01

Background Atlantic Bluefin Tuna (ABFT) shows complex demography and ecological variation in the Mediterranean Sea. Genetic surveys have detected significant, although weak, signals of population structuring; catch series analyses and tagging programs identified complex ABFT spatial dynamics and migration patterns. Here, we tested the hypothesis that the genetic structure of the ABFT in the Mediterranean is correlated with mean surface temperature and salinity. Methodology We used six samples collected from Western and Central Mediterranean integrated with a new sample collected from the recently identified easternmost reproductive area of Levantine Sea. To assess population structure in the Mediterranean we used a multidisciplinary framework combining classical population genetics, spatial and Bayesian clustering methods and a multivariate approach based on factor analysis. Conclusions FST analysis and Bayesian clustering methods detected several subpopulations in the Mediterranean, a result also supported by multivariate analyses. In addition, we identified significant correlations of genetic diversity with mean salinity and surface temperature values revealing that ABFT is genetically structured along two environmental gradients. These results suggest that a preference for some spawning habitat conditions could contribute to shape ABFT genetic structuring in the Mediterranean. However, further studies should be performed to assess to what extent ABFT spawning behaviour in the Mediterranean Sea can be affected by environmental variation. PMID:24260341

Finite element analysis of container ship's cargo hold using ANSYS and POSEIDON software

NASA Astrophysics Data System (ADS)

Tanny, Tania Tamiz; Akter, Naznin; Amin, Osman Md.

2017-12-01

Nowadays ship structural analysis has become an integral part of the preliminary ship design providing further support for the development and detail design of ship structures. Structural analyses of container ship's cargo holds are carried out for the balancing of their safety and capacity, as those ships are exposed to the high risk of structural damage during voyage. Two different design methodologies have been considered for the structural analysis of a container ship's cargo hold. One is rule-based methodology and the other is a more conventional software based analyses. The rule based analysis is done by DNV-GL's software POSEIDON and the conventional package based analysis is done by ANSYS structural module. Both methods have been applied to analyze some of the mechanical properties of the model such as total deformation, stress-strain distribution, Von Mises stress, Fatigue etc., following different design bases and approaches, to indicate some guidance's for further improvements in ship structural design.

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

Rodriguez, Mario E.

An area in earthquake risk reduction that needs an urgent examination is the selection of earthquake records for nonlinear dynamic analysis of structures. An often-mentioned shortcoming from results of nonlinear dynamic analyses of structures is that these results are limited to the type of records that these analyses use as input data. This paper proposes a procedure for selecting earthquake records for nonlinear dynamic analysis of structures. This procedure uses a seismic damage index evaluated using the hysteretic energy dissipated by a Single Degree of Freedom System (SDOF) representing a multi-degree-of freedom structure responding to an earthquake record, and themore » plastic work capacity of the system at collapse. The type of structural system is considered using simple parameters. The proposed method is based on the evaluation of the damage index for a suite of earthquake records and a selected type of structural system. A set of 10 strong ground motion records is analyzed to show an application of the proposed procedure for selecting earthquake records for structural design.« less

Query3d: a new method for high-throughput analysis of functional residues in protein structures.

PubMed

Ausiello, Gabriele; Via, Allegra; Helmer-Citterich, Manuela

2005-12-01

The identification of local similarities between two protein structures can provide clues of a common function. Many different methods exist for searching for similar subsets of residues in proteins of known structure. However, the lack of functional and structural information on single residues, together with the low level of integration of this information in comparison methods, is a limitation that prevents these methods from being fully exploited in high-throughput analyses. Here we describe Query3d, a program that is both a structural DBMS (Database Management System) and a local comparison method. The method conserves a copy of all the residues of the Protein Data Bank annotated with a variety of functional and structural information. New annotations can be easily added from a variety of methods and known databases. The algorithm makes it possible to create complex queries based on the residues' function and then to compare only subsets of the selected residues. Functional information is also essential to speed up the comparison and the analysis of the results. With Query3d, users can easily obtain statistics on how many and which residues share certain properties in all proteins of known structure. At the same time, the method also finds their structural neighbours in the whole PDB. Programs and data can be accessed through the PdbFun web interface.

Query3d: a new method for high-throughput analysis of functional residues in protein structures

PubMed Central

Ausiello, Gabriele; Via, Allegra; Helmer-Citterich, Manuela

2005-01-01

Background The identification of local similarities between two protein structures can provide clues of a common function. Many different methods exist for searching for similar subsets of residues in proteins of known structure. However, the lack of functional and structural information on single residues, together with the low level of integration of this information in comparison methods, is a limitation that prevents these methods from being fully exploited in high-throughput analyses. Results Here we describe Query3d, a program that is both a structural DBMS (Database Management System) and a local comparison method. The method conserves a copy of all the residues of the Protein Data Bank annotated with a variety of functional and structural information. New annotations can be easily added from a variety of methods and known databases. The algorithm makes it possible to create complex queries based on the residues' function and then to compare only subsets of the selected residues. Functional information is also essential to speed up the comparison and the analysis of the results. Conclusion With Query3d, users can easily obtain statistics on how many and which residues share certain properties in all proteins of known structure. At the same time, the method also finds their structural neighbours in the whole PDB. Programs and data can be accessed through the PdbFun web interface. PMID:16351754

Tools to evaluate the conformation of protein products.

PubMed

Manta, Bruno; Obal, Gonzalo; Ricciardi, Alejandro; Pritsch, Otto; Denicola, Ana

2011-06-01

Production of recombinant proteins is a process intensively used in the research laboratory. In addition, the main biotechnology market products are recombinant proteins and monoclonal antibodies. The biological (and clinical) properties of the protein product strongly depend on the conformation of the polypeptide. Therefore, assessment of the correct conformation of the produced protein is crucial. There is no single method to assess every aspect of protein structure or function. Depending on the protein, the methods of choice vary. There are general methods to evaluate not only mass and primary sequence of the protein, but also higher-order structure. This review outlines the principal techniques for determining the conformation of a protein from structural (biophysical methods) to functional (in vitro binding assays) analyses. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Minimum stiffness criteria for ring frame stiffeners of space launch vehicles

NASA Astrophysics Data System (ADS)

Friedrich, Linus; Schröder, Kai-Uwe

2016-12-01

Frame stringer-stiffened shell structures show high load carrying capacity in conjunction with low structural mass and are for this reason frequently used as primary structures of aerospace applications. Due to the great number of design variables, deriving suitable stiffening configurations is a demanding task and needs to be realized using efficient analysis methods. The structural design of ring frame stringer-stiffened shells can be subdivided into two steps. One, the design of a shell section between two ring frames. Two, the structural design of the ring frames such that a general instability mode is avoided. For sizing stringer-stiffened shell sections, several methods were recently developed, but existing ring frame sizing methods are mainly based on empirical relations or on smeared models. These methods do not mandatorily lead to reliable designs and in some cases the lightweight design potential of stiffened shell structures can thus not be exploited. In this paper, the explicit physical behaviour of ring frame stiffeners of space launch vehicles at the onset of panel instability is described using mechanical substitute models. Ring frame stiffeners of a stiffened shell structure are sized applying existing methods and the method suggested in this paper. To verify the suggested method and to demonstrate its potential, geometrically non-linear finite element analyses are performed using detailed finite element models.

An examination of the earthquake behaviour of a retaining wall considering soil-structure interaction

NASA Astrophysics Data System (ADS)

Köktan, Utku; Demir, Gökhan; Kerem Ertek, M.

2017-04-01

The earthquake behavior of retaining walls is commonly calculated with pseudo static approaches based on Mononobe-Okabe method. The seismic ground pressure acting on the retaining wall by the Mononobe-Okabe method does not give a definite idea of the distribution of the seismic ground pressure because it is obtained by balancing the forces acting on the active wedge behind the wall. With this method, wave propagation effects and soil-structure interaction are neglected. The purpose of this study is to examine the earthquake behavior of a retaining wall taking into account the soil-structure interaction. For this purpose, time history seismic analysis of the soil-structure interaction system using finite element method has been carried out considering 3 different soil conditions. Seismic analysis of the soil-structure model was performed according to the earthquake record of "1971, San Fernando Pacoima Dam, 196 degree" existing in the library of MIDAS GTS NX software. The results obtained from the analyses show that the soil-structure interaction is very important for the seismic design of a retaining wall. Keywords: Soil-structure interaction, Finite element model, Retaining wall

A new look into conformational, vibrational and electronic structure analysis of 3,4-dimethoxybenzonitrile.

PubMed

Arjunan, V; Devi, L; Remya, P; Mohan, S

2013-09-01

The FTIR and FT-Raman spectra of 3,4-dimethoxybenzonitrile (34DMBN) have been analysed. Quantum chemical studies were performed with B3LYP method using 6-311++G(d,p), 6-31G(d,p) and cc-pVTZ basis sets. The electron donating effect of -OCH3 and electron withdrawing effect of -C≡N groups on the ring parameters were thoroughly analysed. The structural parameters, energies, thermodynamic properties, vibrational frequencies and the NBO charges of 34DMBN were determined. The (1)H and (13)C chemical shifts with respect to TMS were investigated and also calculated theoretically using the gauge independent atomic orbital method and compared with the experimental data. The delocalisation energy of different types of bonding interactions was investigated. Copyright © 2013 Elsevier B.V. All rights reserved.

A Note on the Use of Missing Auxiliary Variables in Full Information Maximum Likelihood-Based Structural Equation Models

ERIC Educational Resources Information Center

Enders, Craig K.

2008-01-01

Recent missing data studies have argued in favor of an "inclusive analytic strategy" that incorporates auxiliary variables into the estimation routine, and Graham (2003) outlined methods for incorporating auxiliary variables into structural equation analyses. In practice, the auxiliary variables often have missing values, so it is reasonable to…

The Structure of Informal Social Networks of Persons with Profound Intellectual and Multiple Disabilities

ERIC Educational Resources Information Center

Kamstra, A.; van der Putten, A. A. J.; Vlaskamp, C.

2015-01-01

Background: Persons with less severe disabilities are able to express their needs and show initiatives in social contacts, persons with profound intellectual and multiple disabilities (PIMD), however, depend on others for this. This study analysed the structure of informal networks of persons with PIMD. Materials and Methods: Data concerning the…

Nonlinear Earthquake Analysis of Reinforced Concrete Frames with Fiber and Bernoulli-Euler Beam-Column Element

PubMed Central

Karaton, Muhammet

2014-01-01

A beam-column element based on the Euler-Bernoulli beam theory is researched for nonlinear dynamic analysis of reinforced concrete (RC) structural element. Stiffness matrix of this element is obtained by using rigidity method. A solution technique that included nonlinear dynamic substructure procedure is developed for dynamic analyses of RC frames. A predicted-corrected form of the Bossak-α method is applied for dynamic integration scheme. A comparison of experimental data of a RC column element with numerical results, obtained from proposed solution technique, is studied for verification the numerical solutions. Furthermore, nonlinear cyclic analysis results of a portal reinforced concrete frame are achieved for comparing the proposed solution technique with Fibre element, based on flexibility method. However, seismic damage analyses of an 8-story RC frame structure with soft-story are investigated for cases of lumped/distributed mass and load. Damage region, propagation, and intensities according to both approaches are researched. PMID:24578667

Stress analysis of rotating propellers subject to forced excitations

NASA Astrophysics Data System (ADS)

Akgun, Ulas

Turbine blades experience vibrations due to the flow disturbances. These vibrations are the leading cause for fatigue failure in turbine blades. This thesis presents the finite element analysis methods to estimate the maximum vibrational stresses of rotating structures under forced excitation. The presentation included starts with the derived equations of motion for vibration of rotating beams using energy methods under the Euler Bernoulli beam assumptions. The nonlinear large displacement formulation captures the centrifugal stiffening and gyroscopic effects. The weak form of the equations and their finite element discretization are shown. The methods implemented were used for normal modes analyses and forced vibration analyses of rotating beam structures. The prediction of peak stresses under simultaneous multi-mode excitation show that the maximum vibrational stresses estimated using the linear superposition of the stresses can greatly overestimate the stresses if the phase information due to damping (physical and gyroscopic effects) are neglected. The last section of this thesis also presents the results of a practical study that involves finite element analysis and redesign of a composite propeller.

Effectiveness of modified pushover analysis procedure for the estimation of seismic demands of buildings subjected to near-fault ground motions having fling step

NASA Astrophysics Data System (ADS)

Mortezaei, A.; Ronagh, H. R.

2013-06-01

Near-fault ground motions with long-period pulses have been identified as being critical in the design of structures. These motions, which have caused severe damage in recent disastrous earthquakes, are characterized by a short-duration impulsive motion that transmits large amounts of energy into the structures at the beginning of the earthquake. In nearly all of the past near-fault earthquakes, significant higher mode contributions have been evident in building structures near the fault rupture, resulting in the migration of dynamic demands (i.e. drifts) from the lower to the upper stories. Due to this, the static nonlinear pushover analysis (which utilizes a load pattern proportional to the shape of the fundamental mode of vibration) may not produce accurate results when used in the analysis of structures subjected to near-fault ground motions. The objective of this paper is to improve the accuracy of the pushover method in these situations by introducing a new load pattern into the common pushover procedure. Several pushover analyses are performed for six existing reinforced concrete buildings that possess a variety of natural periods. Then, a comparison is made between the pushover analyses' results (with four new load patterns) and those of FEMA (Federal Emergency Management Agency)-356 with reference to nonlinear dynamic time-history analyses. The comparison shows that, generally, the proposed pushover method yields better results than all FEMA-356 pushover analysis procedures for all investigated response quantities and is a closer match to the nonlinear time-history responses. In general, the method is able to reproduce the essential response features providing a reasonable measure of the likely contribution of higher modes in all phases of the response.

Effects of Sample Selection Bias on the Accuracy of Population Structure and Ancestry Inference

PubMed Central

Shringarpure, Suyash; Xing, Eric P.

2014-01-01

Population stratification is an important task in genetic analyses. It provides information about the ancestry of individuals and can be an important confounder in genome-wide association studies. Public genotyping projects have made a large number of datasets available for study. However, practical constraints dictate that of a geographical/ethnic population, only a small number of individuals are genotyped. The resulting data are a sample from the entire population. If the distribution of sample sizes is not representative of the populations being sampled, the accuracy of population stratification analyses of the data could be affected. We attempt to understand the effect of biased sampling on the accuracy of population structure analysis and individual ancestry recovery. We examined two commonly used methods for analyses of such datasets, ADMIXTURE and EIGENSOFT, and found that the accuracy of recovery of population structure is affected to a large extent by the sample used for analysis and how representative it is of the underlying populations. Using simulated data and real genotype data from cattle, we show that sample selection bias can affect the results of population structure analyses. We develop a mathematical framework for sample selection bias in models for population structure and also proposed a correction for sample selection bias using auxiliary information about the sample. We demonstrate that such a correction is effective in practice using simulated and real data. PMID:24637351

Analytical techniques and instrumentation, a compilation

NASA Technical Reports Server (NTRS)

1974-01-01

Procedures for conducting materials tests and structural analyses of aerospace components are presented as a part of the NASA technology utilization program. Some of the subjects discussed are as follows: (1) failures in cryogenic tank insulation, (2) friction characteristics of graphite and graphite-metal combinations, (3) evaluation of polymeric products in thermal-vacuum environment, (4) erosion of metals by multiple impacts with water, (5) mass loading effects on vibrated ring and shell structures, (6) nonlinear damping in structures, and (7) method for estimating reliability of randomly excited structures.

Progression in structural, magnetic and electrical properties of La-doped group IV elements

NASA Astrophysics Data System (ADS)

Deepapriya, S.; Annie Vinosha, P.; Rodney, John D.; Jerome Das, S.

2018-04-01

Progression of group IV elements such as zinc ferrite (ZnFe2O4), cobalt ferrite (CoFe2O4) was synthesized by doping lanthanum (La), via adopting a facile co-precipitation method. Doping hefty rare earth ion in spinel structure can amend to the physical properties of the lattice, which can be used in the enhancement of magnetic and electrical properties of the as-synthesized nanomaterial, it is vital to metamorphose and optimize its micro structural and magnetic features. The structural properties of the samples was analysed by powder X-ray diffraction (XRD), Fourier transform infrared (FTIR), Transmission electron microscopy (TEM) and UV-visible spectral analysis (UV-vis) reveals the optical property and optical band gap. The magnetic properties were evaluated using a vibrating sample magnetometer (VSM), the presence of functional group was confirmed by FTIR. XRD analyses elucidates that the synthesized samples zinc and cobalt had a spinel structure. From TEM analyses the morphology and diameter of the particle was observed. The substituted rare earth ions in Zinc ferrite inhibit the grain growth of the materials in an efficient manner compared with that of the Cobalt ferrite.

Computerized structural mechanics for 1990's: Advanced aircraft needs

NASA Technical Reports Server (NTRS)

Viswanathan, A. V.; Backman, B. F.

1989-01-01

The needs for computerized structural mechanics (CSM) as seen from the standpoint of the aircraft industry are discussed. These needs are projected into the 1990's with special focus on the new advanced materials. Preliminary design/analysis, research, and detail design/analysis are identified as major areas. The role of local/global analyses in these different areas is discussed. The lessons learned in the past are used as a basis for the design of a CSM framework that could modify and consolidate existing technology and include future developments in a rational and useful way. A philosophy is stated, and a set of analyses needs driven by the emerging advanced composites is enumerated. The roles of NASA, the universities, and the industry are identified. Finally, a set of rational research targets is recommended based on both the new types of computers and the increased complexity the industry faces. Computerized structural mechanics should be more than new methods in structural mechanics and numerical analyses. It should be a set of engineering applications software products that combines innovations in structural mechanics, numerical analysis, data processing, search and display features, and recent hardware advances and is organized in a framework that directly supports the design process.

Screening and structural elucidation of the zwitterionic cocrystal o-picolinic acid with p-nitro aniline

NASA Astrophysics Data System (ADS)

Mekala, R.; Jagdish, P.; Mathammal, R.; Sangeetha, K.

2017-04-01

The cocrystal was screened by solvent drop grinding method and the crystals were grown by slow evaporation method at ambient conditions. The cocrystal formation of o-picolinic acid with p-nitro aniline was initially analysed by powder X-ray diffraction. Further the structural properties of the grown crystal were confirmed by the single X-ray diffraction which indicates that the cocrystal were connected by the strong N+sbnd H-⋯O hydrogen bond interaction. The cell parameters of the grown crystal were a = 14.2144(5) Å, b = 5.7558(2) Å, c = 16.0539(6) Å. The functional groups were identified using Fourier transform infrared and Raman spectral analysis. The excitation and emission state of the sample was analysed by the UV-Visible and Fluorescence studies. The red emission was observed from the Fluorescence studies. NMR studies revealed the chemical shift of the cocrystal. Thermal stability and its melting behaviour were studied by TGA and DSC analytical techniques. Electrical behaviour was studied using the dielectric studies. The intermolecular charge transfer within the molecule were analysed using HOMO- LUMO plots.

MolTalk – a programming library for protein structures and structure analysis

PubMed Central

Diemand, Alexander V; Scheib, Holger

2004-01-01

Background Two of the mostly unsolved but increasingly urgent problems for modern biologists are a) to quickly and easily analyse protein structures and b) to comprehensively mine the wealth of information, which is distributed along with the 3D co-ordinates by the Protein Data Bank (PDB). Tools which address this issue need to be highly flexible and powerful but at the same time must be freely available and easy to learn. Results We present MolTalk, an elaborate programming language, which consists of the programming library libmoltalk implemented in Objective-C and the Smalltalk-based interpreter MolTalk. MolTalk combines the advantages of an easy to learn and programmable procedural scripting with the flexibility and power of a full programming language. An overview of currently available applications of MolTalk is given and with PDBChainSaw one such application is described in more detail. PDBChainSaw is a MolTalk-based parser and information extraction utility of PDB files. Weekly updates of the PDB are synchronised with PDBChainSaw and are available for free download from the MolTalk project page following the link to PDBChainSaw. For each chain in a protein structure, PDBChainSaw extracts the sequence from its co-ordinates and provides additional information from the PDB-file header section, such as scientific organism, compound name, and EC code. Conclusion MolTalk provides a rich set of methods to analyse and even modify experimentally determined or modelled protein structures. These methods vary in complexity and are thus suitable for beginners and advanced programmers alike. We envision MolTalk to be most valuable in the following applications: 1) To analyse protein structures repetitively in large-scale, i.e. to benchmark protein structure prediction methods or to evaluate structural models. The quality of the resulting 3D-models can be assessed by e.g. calculating a Ramachandran-Sasisekharan plot. 2) To quickly retrieve information for (a limited number of) macro-molecular structures, i.e. H-bonds, salt bridges, contacts between amino acids and ligands or at the interface between two chains. 3) To programme more complex structural bioinformatics software and to implement demanding algorithms through its portability to Objective-C, e.g. iMolTalk. 4) To be used as a front end to databases, e.g. PDBChainSaw. PMID:15096277

MolTalk--a programming library for protein structures and structure analysis.

PubMed

Diemand, Alexander V; Scheib, Holger

2004-04-19

Two of the mostly unsolved but increasingly urgent problems for modern biologists are a) to quickly and easily analyse protein structures and b) to comprehensively mine the wealth of information, which is distributed along with the 3D co-ordinates by the Protein Data Bank (PDB). Tools which address this issue need to be highly flexible and powerful but at the same time must be freely available and easy to learn. We present MolTalk, an elaborate programming language, which consists of the programming library libmoltalk implemented in Objective-C and the Smalltalk-based interpreter MolTalk. MolTalk combines the advantages of an easy to learn and programmable procedural scripting with the flexibility and power of a full programming language. An overview of currently available applications of MolTalk is given and with PDBChainSaw one such application is described in more detail. PDBChainSaw is a MolTalk-based parser and information extraction utility of PDB files. Weekly updates of the PDB are synchronised with PDBChainSaw and are available for free download from the MolTalk project page http://www.moltalk.org following the link to PDBChainSaw. For each chain in a protein structure, PDBChainSaw extracts the sequence from its co-ordinates and provides additional information from the PDB-file header section, such as scientific organism, compound name, and EC code. MolTalk provides a rich set of methods to analyse and even modify experimentally determined or modelled protein structures. These methods vary in complexity and are thus suitable for beginners and advanced programmers alike. We envision MolTalk to be most valuable in the following applications:1) To analyse protein structures repetitively in large-scale, i.e. to benchmark protein structure prediction methods or to evaluate structural models. The quality of the resulting 3D-models can be assessed by e.g. calculating a Ramachandran-Sasisekharan plot.2) To quickly retrieve information for (a limited number of) macro-molecular structures, i.e. H-bonds, salt bridges, contacts between amino acids and ligands or at the interface between two chains.3) To programme more complex structural bioinformatics software and to implement demanding algorithms through its portability to Objective-C, e.g. iMolTalk.4) To be used as a front end to databases, e.g. PDBChainSaw.

Airbreathing hypersonic vehicle design and analysis methods

NASA Technical Reports Server (NTRS)

Lockwood, Mary Kae; Petley, Dennis H.; Hunt, James L.; Martin, John G.

1996-01-01

The design, analysis, and optimization of airbreathing hypersonic vehicles requires analyses involving many highly coupled disciplines at levels of accuracy exceeding those traditionally considered in a conceptual or preliminary-level design. Discipline analysis methods including propulsion, structures, thermal management, geometry, aerodynamics, performance, synthesis, sizing, closure, and cost are discussed. Also, the on-going integration of these methods into a working environment, known as HOLIST, is described.

A study of fluid-structure problems

NASA Astrophysics Data System (ADS)

Lam, Dennis Kang-Por

The stability of structures with and without fluid load is investigated. A method is developed for determining the fluid load in terms of added structural mass. Finite element methods are employed to study the buckling of a cylindrical shell under axial compression and liquid storage tanks under hydrodynamic load. Both linear and nonlinear analyses are performed. Diamond modes are found to be the possible postbuckling shapes of the cylindrical shell. Local buckling including elephant-foot buckle and diamond buckle are found for the liquid storage tank models. Comparison between the linear and nonlinear results indicates a substantial difference in buckling mode shapes, though the buckling loads are close to each other. The method for determining the hydrodynamic mass is applied to the impeller stage of a centrifugal pump. The method is based on a linear perturbation technique which assumes that the disturbance in the flow boundaries and velocities caused by the motion of the structure is small. A potential method is used to estimate the velocity flow field. The hydrodynamic mass is then obtained by calculating the total force which results from the pressure induced by a perturbation of the structure.

Summary of Meta-Analyses Dealing with Single-Row versus Double-Row Repair Techniques for Rotator Cuff Tears

PubMed Central

Spiegl, U.J.; Euler, S.A.; Millett, P.J.; Hepp, P.

2016-01-01

Background: Several meta-analyses of randomized clinical trials have been performed to analyze whether double-row (DR) rotator cuff repair (RCR) provides superior clinical outcomes and structural healing compared to single-row (SR) repair. The purpose of this study was to sum up the results of meta-analysis comparing SR and DR repair with respect on clinical outcomes and re-tear rates. Methods: A literature search was undertaken to identify all meta-analyses dealing with randomized controlled trials comparing clinical und structural outcomes after SR versus DR RCR. Results: Eight meta-analyses met the eligibility criteria: two including Level I studies only, five including both Level I and Level II studies, and one including additional Level III studies. Four meta-analyses found no differences between SR and DR RCR for patient outcomes, whereas four favored DR RCR for tears greater than 3 cm. Two meta-analyses found no structural healing differences between SR and DR RCR, whereas six found DR repair to be superior for tears greater than 3 cm tears. Conclusion: No clinical differences are seen between single-row and double-row repair for small and medium rotator cuff tears after a short-term follow-up period with a higher re-tear rate following single-row repairs. There seems to be a trend to superior results with double-row repair in large to massive tear sizes. PMID:27708735

Aeroelastic Analyses of the SemiSpan SuperSonic Transport (S4T) Wind Tunnel Model at Mach 0.95

NASA Technical Reports Server (NTRS)

Hur, Jiyoung

2014-01-01

Detailed aeroelastic analyses of the SemiSpan SuperSonic Transport (S4T) wind tunnel model at Mach 0.95 with a 1.75deg fixed angle of attack are presented. First, a numerical procedure using the Computational Fluids Laboratory 3-Dimensional (CFL3D) Version 6.4 flow solver is investigated. The mesh update method for structured multi-block grids was successfully applied to the Navier-Stokes simulations. Second, the steady aerodynamic analyses with a rigid structure of the S4T wind tunnel model are reviewed in transonic flow. Third, the static analyses were performed for both the Euler and Navier-Stokes equations. Both the Euler and Navier-Stokes equations predicted a significant increase of lift forces, compared to the results from the rigid structure of the S4T wind-tunnel model, over various dynamic pressures. Finally, dynamic aeroelastic analyses were performed to investigate the flutter condition of the S4T wind tunnel model at the transonic Mach number. The condition of flutter was observed at a dynamic pressure of approximately 75.0-psf for the Navier-Stokes simulations. However, it was observed that the flutter condition occurred a dynamic pressure of approximately 47.27-psf for the Euler simulations. Also, the computational efficiency of the aeroelastic analyses for the S4T wind tunnel model has been assessed.

Classifying social anxiety disorder using multivoxel pattern analyses of brain function and structure☆

PubMed Central

Frick, Andreas; Gingnell, Malin; Marquand, Andre F.; Howner, Katarina; Fischer, Håkan; Kristiansson, Marianne; Williams, Steven C.R.; Fredrikson, Mats; Furmark, Tomas

2014-01-01

Functional neuroimaging of social anxiety disorder (SAD) support altered neural activation to threat-provoking stimuli focally in the fear network, while structural differences are distributed over the temporal and frontal cortices as well as limbic structures. Previous neuroimaging studies have investigated the brain at the voxel level using mass-univariate methods which do not enable detection of more complex patterns of activity and structural alterations that may separate SAD from healthy individuals. Support vector machine (SVM) is a supervised machine learning method that capitalizes on brain activation and structural patterns to classify individuals. The aim of this study was to investigate if it is possible to discriminate SAD patients (n = 14) from healthy controls (n = 12) using SVM based on (1) functional magnetic resonance imaging during fearful face processing and (2) regional gray matter volume. Whole brain and region of interest (fear network) SVM analyses were performed for both modalities. For functional scans, significant classifications were obtained both at whole brain level and when restricting the analysis to the fear network while gray matter SVM analyses correctly classified participants only when using the whole brain search volume. These results support that SAD is characterized by aberrant neural activation to affective stimuli in the fear network, while disorder-related alterations in regional gray matter volume are more diffusely distributed over the whole brain. SVM may thus be useful for identifying imaging biomarkers of SAD. PMID:24239689

Analysis of the influence of the milling machine throw-out plate surfacing and structure design on throwing material

NASA Astrophysics Data System (ADS)

Fang, Yuanbin; Sha, Hongwei; Yu, Yunmin; Chen, Bing

2018-03-01

Material composition, hardness and wear properties of the throw-out plate improved are analysed on a road milling machine. At the same time, analyse the tissue and performance of Fe based alloy named Fe60 cladding layer using the plasma surfacing method. And the original and improved throw-out plates are analysed throwing material effect by the dynamic analysis. Then the throw-out plate samples are verified. The results show that Fe60 powder is selected as surface strengthening material. By the improved structure, the hardness of the throw-out plate increases from 14.6HRC to 57.5HRC, and the wear resistance increases from 0.452g-1 to 16.393g-1. At the same time, it increases from 3263 to 3433 to fall into the collecting material number of milling machine. It provides important guidance for structure design and process design of the milling machine throw-out plate.

Imaging of surface spin textures on bulk crystals by scanning electron microscopy

NASA Astrophysics Data System (ADS)

Akamine, Hiroshi; Okumura, So; Farjami, Sahar; Murakami, Yasukazu; Nishida, Minoru

2016-11-01

Direct observation of magnetic microstructures is vital for advancing spintronics and other technologies. Here we report a method for imaging surface domain structures on bulk samples by scanning electron microscopy (SEM). Complex magnetic domains, referred to as the maze state in CoPt/FePt alloys, were observed at a spatial resolution of less than 100 nm by using an in-lens annular detector. The method allows for imaging almost all the domain walls in the mazy structure, whereas the visualisation of the domain walls with the classical SEM method was limited. Our method provides a simple way to analyse surface domain structures in the bulk state that can be used in combination with SEM functions such as orientation or composition analysis. Thus, the method extends applications of SEM-based magnetic imaging, and is promising for resolving various problems at the forefront of fields including physics, magnetics, materials science, engineering, and chemistry.

Deformation analysis of MEMS structures by modified digital moiré methods

NASA Astrophysics Data System (ADS)

Liu, Zhanwei; Lou, Xinhao; Gao, Jianxin

2010-11-01

Quantitative deformation analysis of micro-fabricated electromechanical systems is of importance for the design and functional control of microsystems. In this paper, two modified digital moiré processing methods, Gaussian blurring algorithm combined with digital phase shifting and geometrical phase analysis (GPA) technique based on digital moiré method, are developed to quantitatively analyse the deformation behaviour of micro-electro-mechanical system (MEMS) structures. Measuring principles and experimental procedures of the two methods are described in detail. A digital moiré fringe pattern is generated by superimposing a specimen grating etched directly on a microstructure surface with a digital reference grating (DRG). Most of the grating noise is removed from the digital moiré fringes, which enables the phase distribution of the moiré fringes to be obtained directly. Strain measurement result of a MEMS structure demonstrates the feasibility of the two methods.

CompaRNA: a server for continuous benchmarking of automated methods for RNA secondary structure prediction

PubMed Central

Puton, Tomasz; Kozlowski, Lukasz P.; Rother, Kristian M.; Bujnicki, Janusz M.

2013-01-01

We present a continuous benchmarking approach for the assessment of RNA secondary structure prediction methods implemented in the CompaRNA web server. As of 3 October 2012, the performance of 28 single-sequence and 13 comparative methods has been evaluated on RNA sequences/structures released weekly by the Protein Data Bank. We also provide a static benchmark generated on RNA 2D structures derived from the RNAstrand database. Benchmarks on both data sets offer insight into the relative performance of RNA secondary structure prediction methods on RNAs of different size and with respect to different types of structure. According to our tests, on the average, the most accurate predictions obtained by a comparative approach are generated by CentroidAlifold, MXScarna, RNAalifold and TurboFold. On the average, the most accurate predictions obtained by single-sequence analyses are generated by CentroidFold, ContextFold and IPknot. The best comparative methods typically outperform the best single-sequence methods if an alignment of homologous RNA sequences is available. This article presents the results of our benchmarks as of 3 October 2012, whereas the rankings presented online are continuously updated. We will gladly include new prediction methods and new measures of accuracy in the new editions of CompaRNA benchmarks. PMID:23435231

A non-destructive method for quality control of the pellet distribution within a MUPS tablet by terahertz pulsed imaging.

PubMed

Novikova, Anna; Markl, Daniel; Zeitler, J Axel; Rades, Thomas; Leopold, Claudia S

2018-01-01

Terahertz pulsed imaging (TPI) was applied to analyse the inner structure of multiple unit pellet system (MUPS) tablets. MUPS tablets containing different amounts of theophylline pellets coated with Eudragit® NE 30 D and with microcrystalline cellulose (MCC) as cushioning agent were analysed. The tablets were imaged by TPI and the results were compared to X-ray microtomography. The terahertz pulse beam propagates through the tablets and is back-reflected at the interface between the MCC matrix and the coated pellets within the tablet causing a peak in the terahertz waveform. Cross-section images of the tablets were extracted at different depths and parallel to the tablet faces from 3D terahertz data to visualise the surface-near structure of the MUPS tablets. The images of the surface-near structure of the MUPS tablets were compared to X-ray microtomography images at the same depths. The surface-near structure could be clearly resolved by TPI at depths between 24 and 152μm below the tablet surface. An increasing amount of pellets within the MUPS tablets appears to slightly decrease the detectability of the pellets within the tablets by TPI. TPI was shown to be a non-destructive method for the detection of pellets within the tablets and could resolve structures thicker than 30μm. In conclusion, a proof-of-concept was provided for TPI as a method of quality control for MUPS tablets. Copyright © 2017 Elsevier B.V. All rights reserved.

Evaluation of Health Equity Impact of Structural Policies: Overview of Research Methods Used in the SOPHIE Project.

PubMed

Kunst, Anton E

2017-07-01

This article briefly assesses the research methods that were applied in the SOPHIE project to evaluate the impact of structural policies on population health and health inequalities. The evaluation of structural policies is one of the key methodological challenges in today's public health. The experience in the SOPHIE project was that mixed methods are essential to identify, understand, and predict the health impact of structural policies. On the one hand, quantitative studies that included spatial comparisons or time trend analyses, preferably in a quasi-experimental design, showed that some structural policies were associated with improved population health and smaller health inequalities. On the other hand, qualitative studies, often inspired by realist approaches, were important to understand how these policies could have achieved the observed impact and why they would succeed in some settings but fail in others. This review ends with five recommendations for future studies that aim to evaluate, understand, and predict how health inequalities can be reduced through structural policies.

Can enzyme engineering benefit from the modulation of protein motions? Lessons learned from NMR relaxation dispersion experiments.

PubMed

Doucet, Nicolas

2011-04-01

Despite impressive progress in protein engineering and design, our ability to create new and efficient enzyme activities remains a laborious and time-consuming endeavor. In the past few years, intricate combinations of rational mutagenesis, directed evolution and computational methods have paved the way to exciting engineering examples and are now offering a new perspective on the structural requirements of enzyme activity. However, these structure-function analyses are usually guided by the time-averaged static models offered by enzyme crystal structures, which often fail to describe the functionally relevant 'invisible states' adopted by proteins in space and time. To alleviate such limitations, NMR relaxation dispersion experiments coupled to mutagenesis studies have recently been applied to the study of enzyme catalysis, effectively complementing 'structure-function' analyses with 'flexibility-function' investigations. In addition to offering quantitative, site-specific information to help characterize residue motion, these NMR methods are now being applied to enzyme engineering purposes, providing a powerful tool to help characterize the effects of controlling long-range networks of flexible residues affecting enzyme function. Recent advancements in this emerging field are presented here, with particular attention to mutagenesis reports highlighting the relevance of NMR relaxation dispersion tools in enzyme engineering.

A Circular Dichroism Reference Database for Membrane Proteins

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

Wallace,B.; Wien, F.; Stone, T.

2006-01-01

Membrane proteins are a major product of most genomes and the target of a large number of current pharmaceuticals, yet little information exists on their structures because of the difficulty of crystallising them; hence for the most part they have been excluded from structural genomics programme targets. Furthermore, even methods such as circular dichroism (CD) spectroscopy which seek to define secondary structure have not been fully exploited because of technical limitations to their interpretation for membrane embedded proteins. Empirical analyses of circular dichroism (CD) spectra are valuable for providing information on secondary structures of proteins. However, the accuracy of themore » results depends on the appropriateness of the reference databases used in the analyses. Membrane proteins have different spectral characteristics than do soluble proteins as a result of the low dielectric constants of membrane bilayers relative to those of aqueous solutions (Chen & Wallace (1997) Biophys. Chem. 65:65-74). To date, no CD reference database exists exclusively for the analysis of membrane proteins, and hence empirical analyses based on current reference databases derived from soluble proteins are not adequate for accurate analyses of membrane protein secondary structures (Wallace et al (2003) Prot. Sci. 12:875-884). We have therefore created a new reference database of CD spectra of integral membrane proteins whose crystal structures have been determined. To date it contains more than 20 proteins, and spans the range of secondary structures from mostly helical to mostly sheet proteins. This reference database should enable more accurate secondary structure determinations of membrane embedded proteins and will become one of the reference database options in the CD calculation server DICHROWEB (Whitmore & Wallace (2004) NAR 32:W668-673).« less

A systematic review of the quality of statistical methods employed for analysing quality of life data in cancer randomised controlled trials.

PubMed

Hamel, Jean-Francois; Saulnier, Patrick; Pe, Madeline; Zikos, Efstathios; Musoro, Jammbe; Coens, Corneel; Bottomley, Andrew

2017-09-01

Over the last decades, Health-related Quality of Life (HRQoL) end-points have become an important outcome of the randomised controlled trials (RCTs). HRQoL methodology in RCTs has improved following international consensus recommendations. However, no international recommendations exist concerning the statistical analysis of such data. The aim of our study was to identify and characterise the quality of the statistical methods commonly used for analysing HRQoL data in cancer RCTs. Building on our recently published systematic review, we analysed a total of 33 published RCTs studying the HRQoL methods reported in RCTs since 1991. We focussed on the ability of the methods to deal with the three major problems commonly encountered when analysing HRQoL data: their multidimensional and longitudinal structure and the commonly high rate of missing data. All studies reported HRQoL being assessed repeatedly over time for a period ranging from 2 to 36 months. Missing data were common, with compliance rates ranging from 45% to 90%. From the 33 studies considered, 12 different statistical methods were identified. Twenty-nine studies analysed each of the questionnaire sub-dimensions without type I error adjustment. Thirteen studies repeated the HRQoL analysis at each assessment time again without type I error adjustment. Only 8 studies used methods suitable for repeated measurements. Our findings show a lack of consistency in statistical methods for analysing HRQoL data. Problems related to multiple comparisons were rarely considered leading to a high risk of false positive results. It is therefore critical that international recommendations for improving such statistical practices are developed. Copyright © 2017. Published by Elsevier Ltd.

Characterization of konjac glucomannan-gelatin IPN physical hydrogel scaffold

NASA Astrophysics Data System (ADS)

Chen, Xiliang; Chen, Qinghua; Yan, Tingting; Liu, Jinkun

2017-06-01

A novel IPN hydrogel scaffold is prepared by freeze-drying method, in which konjac galactomannan (KGM) and gelatin are physically crosslinked respectively. This scaffold is thermostable, and the structure of this scaffold is analysed by scanning electron microscope, Fourier transform infrared spectrum, and X-ray diffraction method. The FT-IR results show that hydrogen bonds are formed between KGM and gelatin molecules, which hinder the formation of their respective crosslinking. This is consistent with the XRD results that the crystallinity gets lower in the IPN gels compared with pure gelatin and KGM gels. The morphologies of freeze-dried hydrogels are observed by SEM and the mechanical properties of the scaffolds are tested to analyse the relationship between the structures and properties. Although this novel IPN hydrogel is physical gel, it shows rubber-like performance as chemical gels. And it is nontoxic, so it can be used as the scaffold for cartilage tissue engineering that embedded in human bodies.

Cheap and fast measuring roughness on big surfaces with an imprint method

NASA Astrophysics Data System (ADS)

Schopf, C.; Liebl, J.; Rascher, R.

2017-10-01

Roughness, shape and structure of a surface offer information on the state, shape and surface characteristics of a component. Particularly the roughness of the surface dictates the subsequent polishing of the optical surface. The roughness is usually measured by a white light interferometer, which is limited by the size of the components. Using a moulding method of surfaces that are difficult to reach, an imprint is taken and analysed regarding to roughness and structure. This moulding compound method is successfully used in dental technology. In optical production, the moulding compound method is advantageous in roughness determination in inaccessible spots or on large components (astrological optics). The "replica method" has been around in metal analysis and processing. Film is used in order to take an impression of a surface. Then, it is analysed for structures. In optical production, compound moulding seems advantageous in roughness determination in inaccessible spots or on large components (astrological optics). In preliminary trials, different glass samples with different roughness levels were manufactured. Imprints were taken from these samples (based on DIN 54150 "Abdruckverfahren für die Oberflächenprüfung"). The objective of these feasibility tests was to determine the limits of this method (smallest roughness determinable / highest roughness). The roughness of the imprint was compared with the roughness of the glass samples. By comparing the results, the uncertainty of the measuring method was determined. The spectrum for the trials ranged from rough grind (0.8 μm rms), over finishing grind (0.6 μm rms) to polishing (0.1 μm rms).

Micromechanical analysis on anisotropy of structured magneto-rheological elastomer

NASA Astrophysics Data System (ADS)

Li, R.; Zhang, Z.; Chen, S. W.; Wang, X. J.

2015-07-01

This paper investigates the equivalent elastic modulus of structured magneto-rheological elastomer (MRE) in the absence of magnetic field. We assume that both matrix and ferromagnetic particles are linear elastic materials, and ferromagnetic particles are embedded in matrix with layer-like structure. The structured composite could be divided into matrix layer and reinforced layer, in which the reinforced layer is composed of matrix and the homogenously distributed ferromagnetic particles in matrix. The equivalent elastic modulus of reinforced layer is analysed by the Mori-Tanaka method. Finite Element Method (FEM) is also carried out to illustrate the relationship between the elastic modulus and the volume fraction of ferromagnetic particles. The results show that the anisotropy of elastic modulus becomes noticeable, as the volume fraction of particles increases.

Integration of Design, Thermal, Structural, and Optical Analysis, Including Thermal Animation

NASA Technical Reports Server (NTRS)

Amundsen, Ruth M.

1993-01-01

In many industries there has recently been a concerted movement toward 'quality management' and the issue of how to accomplish work more efficiently. Part of this effort is focused on concurrent engineering; the idea of integrating the design and analysis processes so that they are not separate, sequential processes (often involving design rework due to analytical findings) but instead form an integrated system with smooth transfers of information. Presented herein are several specific examples of concurrent engineering methods being carried out at Langley Research Center (LaRC): integration of thermal, structural and optical analyses to predict changes in optical performance based on thermal and structural effects; integration of the CAD design process with thermal and structural analyses; and integration of analysis and presentation by animating the thermal response of a system as an active color map -- a highly effective visual indication of heat flow.

Vibration of carbon nanotubes with defects: order reduction methods

NASA Astrophysics Data System (ADS)

Hudson, Robert B.; Sinha, Alok

2018-03-01

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

A Numerical Study on the Screening of Blast-Induced Waves for Reducing Ground Vibration

NASA Astrophysics Data System (ADS)

Park, Dohyun; Jeon, Byungkyu; Jeon, Seokwon

2009-06-01

Blasting is often a necessary part of mining and construction operations, and is the most cost-effective way to break rock, but blasting generates both noise and ground vibration. In urban areas, noise and vibration have an environmental impact, and cause structural damage to nearby structures. Various wave-screening methods have been used for many years to reduce blast-induced ground vibration. However, these methods have not been quantitatively studied for their reduction effect of ground vibration. The present study focused on the quantitative assessment of the effectiveness in vibration reduction of line-drilling as a screening method using a numerical method. Two numerical methods were used to analyze the reduction effect toward ground vibration, namely, the “distinct element method” and the “non-linear hydrocode.” The distinct element method, by particle flow code in two dimensions (PFC 2D), was used for two-dimensional parametric analyses, and some cases of two-dimensional analyses were analyzed three-dimensionally using AUTODYN 3D, the program of the non-linear hydrocode. To analyze the screening effectiveness of line-drilling, parametric analyses were carried out under various conditions, with the spacing, diameter of drill holes, distance between the blasthole and line-drilling, and the number of rows of drill holes, including their arrangement, used as parameters. The screening effectiveness was assessed via a comparison of the vibration amplitude between cases both with and without screening. Also, the frequency distribution of ground motion of the two cases was investigated through fast Fourier transform (FFT), with the differences also examined. From our study, it was concluded that line-drilling as a screening method of blast-induced waves was considerably effective under certain design conditions. The design details for field application have also been proposed.

NASA-UVA light aerospace alloy and structures technology program

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.; Haviland, John K.; Herakovich, Carl T.; Pilkey, Walter D.; Pindera, Marek-Jerzy; Stoner, Glenn E.; Swanson, Robert E.; Thornton, Earl A.; Wawner, Franklin E., Jr.; Wert, John A.

1990-01-01

The objective of the Light Aerospace Alloy and Structures Technology Program is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys, composites, and associated thermal gradient structures. Individual technical objectives are established for each project. Efforts aim to produce basic understanding of material behavior, monolithic and composite alloys, processing methods, solid and mechanics analyses, measurement advances, and a pool of educated graduate students. Progress is reported for 11 areas of study.

The method of perturbation-harmonic balance for analysing nonlinear free vibration of MDOF systems and structures

NASA Astrophysics Data System (ADS)

Tang, Qiangang; Sun, Shixian

1992-03-01

In this paper, the perturbation technique is introduced into the method of harmonic balance. A new method used for analyzing nonlinear free vibration of multidegree-of-freedom systems and structures is obtained. The form of solution is expanded into a series of small parameters and harmonics, so no term will be lost in the solution and the algebraic equations are linear. With the linear transformations, the matrices of the equations become diagonal. As soon as the modes related to linear vibration are found, the solution can be obtained. This method is superior to the method of linearized iteration. The examples show that the method has high accuracy for small-amplitude problems and the results for rather large amplitudes are satisfactory.

Mesh Convergence Requirements for Composite Damage Models

NASA Technical Reports Server (NTRS)

Davila, Carlos G.

2016-01-01

The ability of the finite element method to accurately represent the response of objects with intricate geometry and loading renders the finite element method as an extremely versatile analysis technique for structural analysis. Finite element analysis is routinely used in industry to calculate deflections, stress concentrations, natural frequencies, buckling loads, and much more. The method works by discretizing complex problems into smaller, simpler approximations that are valid over small uniform domains. For common analyses, the maximum size of the elements that can be used is often be determined by experience. However, to verify the quality of a solution, analyses with several levels of mesh refinement should be performed to ensure that the solution has converged. In recent years, the finite element method has been used to calculate the resistance of structures, and in particular that of composite structures. A number of techniques such as cohesive zone modeling, the virtual crack closure technique, and continuum damage modeling have emerged that can be used to predict cracking, delaminations, fiber failure, and other composite damage modes that lead to structural collapse. However, damage models present mesh refinement requirements that are not well understood. In this presentation, we examine different mesh refinement issues related to the representation of damage in composite materials. Damage process zone sizes and their corresponding mesh requirements will be discussed. The difficulties of modeling discontinuities and the associated need for regularization techniques will be illustrated, and some unexpected element size constraints will be presented. Finally, some of the difficulties in constructing models of composite structures capable of predicting transverse matrix cracking will be discussed. It will be shown that to predict the initiation and propagation of transverse matrix cracks, their density, and their saturation may require models that are significantly more refined than those that have been contemplated in the past.

Estimation of Sonic Fatigue by Reduced-Order Finite Element Based Analyses

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Przekop, Adam

2006-01-01

A computationally efficient, reduced-order method is presented for prediction of sonic fatigue of structures exhibiting geometrically nonlinear response. A procedure to determine the nonlinear modal stiffness using commercial finite element codes allows the coupled nonlinear equations of motion in physical degrees of freedom to be transformed to a smaller coupled system of equations in modal coordinates. The nonlinear modal system is first solved using a computationally light equivalent linearization solution to determine if the structure responds to the applied loading in a nonlinear fashion. If so, a higher fidelity numerical simulation in modal coordinates is undertaken to more accurately determine the nonlinear response. Comparisons of displacement and stress response obtained from the reduced-order analyses are made with results obtained from numerical simulation in physical degrees-of-freedom. Fatigue life predictions from nonlinear modal and physical simulations are made using the rainflow cycle counting method in a linear cumulative damage analysis. Results computed for a simple beam structure under a random acoustic loading demonstrate the effectiveness of the approach and compare favorably with results obtained from the solution in physical degrees-of-freedom.

Image Analysis of DNA Fiber and Nucleus in Plants.

PubMed

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

2016-01-01

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

Sensitivity Analysis for Coupled Aero-structural Systems

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.

1999-01-01

A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

A molecular analysis of African lion (Panthera leo) mating structure and extra-group paternity in Etosha National Park.

PubMed

Lyke, M M; Dubach, J; Briggs, M B

2013-05-01

The recent incorporation of molecular methods into analyses of social and mating systems has provided evidence that mating patterns often differ from those predicted by group social organization. Based on field studies and paternity analyses at a limited number of sites, African lions are predicted to exhibit a strict within-pride mating system. Extra-group paternity has not been previously reported in African lions; however, observations of extra-group associations among lions inhabiting Etosha National Park in Namibia suggest deviation from the predicted within-pride mating pattern. We analysed variation in 14 microsatellite loci in a population of 164 African lions in Etosha National Park. Genetic analysis was coupled with demographic and observational data to examine pride structure, relatedness and extra-group paternity (EGP). EGP was found to occur in 57% of prides where paternity was analysed (n = 7), and the overall rate of EGP in this population was 41% (n = 34). Group sex ratio had a significant effect on the occurrence of EGP (P < 0.05), indicating that variation in pride-level social structure may explain intergroup variation in EGP. Prides with a lower male-to-female ratio were significantly more likely to experience EGP in this population. The results of this study challenge the current models of African lion mating systems and provide evidence that social structure may not reflect breeding structure in some social mammals. © 2013 Blackwell Publishing Ltd.

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

McCormac, Kathleen; Byrd, Ian; Brannen, Rodney

We prepared highly porous Si/TiO 2 composite nanofibres using a unique sulphur-templating method combined with electrospinning. The structure, morphology, surface area, phase and composition of these nanofibres were characterized using Raman spectroscopy, scanning electron microscopy, powder X-ray diffraction, surface area analyser and thermogravimetric analyser. The specific surface area of Si/TiO 2 porous NFs is as large as 387m 2g -1, whose silicon capacity can be maintained above 1580mAhg -1 in 180 cycles.

Methodological Standards for Meta-Analyses and Qualitative Systematic Reviews of Cardiac Prevention and Treatment Studies: A Scientific Statement From the American Heart Association.

PubMed

Rao, Goutham; Lopez-Jimenez, Francisco; Boyd, Jack; D'Amico, Frank; Durant, Nefertiti H; Hlatky, Mark A; Howard, George; Kirley, Katherine; Masi, Christopher; Powell-Wiley, Tiffany M; Solomonides, Anthony E; West, Colin P; Wessel, Jennifer

2017-09-05

Meta-analyses are becoming increasingly popular, especially in the fields of cardiovascular disease prevention and treatment. They are often considered to be a reliable source of evidence for making healthcare decisions. Unfortunately, problems among meta-analyses such as the misapplication and misinterpretation of statistical methods and tests are long-standing and widespread. The purposes of this statement are to review key steps in the development of a meta-analysis and to provide recommendations that will be useful for carrying out meta-analyses and for readers and journal editors, who must interpret the findings and gauge methodological quality. To make the statement practical and accessible, detailed descriptions of statistical methods have been omitted. Based on a survey of cardiovascular meta-analyses, published literature on methodology, expert consultation, and consensus among the writing group, key recommendations are provided. Recommendations reinforce several current practices, including protocol registration; comprehensive search strategies; methods for data extraction and abstraction; methods for identifying, measuring, and dealing with heterogeneity; and statistical methods for pooling results. Other practices should be discontinued, including the use of levels of evidence and evidence hierarchies to gauge the value and impact of different study designs (including meta-analyses) and the use of structured tools to assess the quality of studies to be included in a meta-analysis. We also recommend choosing a pooling model for conventional meta-analyses (fixed effect or random effects) on the basis of clinical and methodological similarities among studies to be included, rather than the results of a test for statistical heterogeneity. © 2017 American Heart Association, Inc.

Wind/seismic comparisons for upgrading existing structures

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

Giller, R.A.

1989-10-01

This paper depicts the analysis procedures and methods used to evaluate three existing building structures for extreme wind loads. The three structures involved in this evaluation are located at the US Department of Energy's Hanford Site near Richland, Washington. This site is characterized by open flat grassland with few surrounding obstructions and has extreme winds in lieu of tornados as a design basis accident condition. This group of buildings represents a variety of construction types, including a concrete stack, a concrete load-bearing wall structure, and a rigid steel-frame building. The three structures included in this group have recently been evaluatedmore » for response to the design basis earthquake that included non-linear time history effects. The resulting loads and stresses from the wind analyses were compared to the loads and stresses resulting from seismic analyses. This approach eliminated the need to prepare additional capacity calculations that were already contained in the seismic evaluations. 4 refs., 5 figs., 5 tabs.« less

SimRNA: a coarse-grained method for RNA folding simulations and 3D structure prediction.

PubMed

Boniecki, Michal J; Lach, Grzegorz; Dawson, Wayne K; Tomala, Konrad; Lukasz, Pawel; Soltysinski, Tomasz; Rother, Kristian M; Bujnicki, Janusz M

2016-04-20

RNA molecules play fundamental roles in cellular processes. Their function and interactions with other biomolecules are dependent on the ability to form complex three-dimensional (3D) structures. However, experimental determination of RNA 3D structures is laborious and challenging, and therefore, the majority of known RNAs remain structurally uncharacterized. Here, we present SimRNA: a new method for computational RNA 3D structure prediction, which uses a coarse-grained representation, relies on the Monte Carlo method for sampling the conformational space, and employs a statistical potential to approximate the energy and identify conformations that correspond to biologically relevant structures. SimRNA can fold RNA molecules using only sequence information, and, on established test sequences, it recapitulates secondary structure with high accuracy, including correct prediction of pseudoknots. For modeling of complex 3D structures, it can use additional restraints, derived from experimental or computational analyses, including information about secondary structure and/or long-range contacts. SimRNA also can be used to analyze conformational landscapes and identify potential alternative structures. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Aircraft Scheduled Structural Maintenance Programs: Current Philosophies and Methods in the United States and their Applicability to the Royal Australian Air Force

DTIC Science & Technology

1988-09-01

maintenance programs. They use "a dedicated age exploration technique and actuarial analyses (31:847)" to Justify any changes to programs. RAAF. The...A066593). 8. Coffin, M.D. and C.F. Tiffany. "New Air Force Requirements for Structural Safety, Durability and Life Management," AIAA/ ASME /SAE 16th

Application of numerical methods to heat transfer and thermal stress analysis of aerospace vehicles

NASA Technical Reports Server (NTRS)

Wieting, A. R.

1979-01-01

The paper describes a thermal-structural design analysis study of a fuel-injection strut for a hydrogen-cooled scramjet engine for a supersonic transport, utilizing finite-element methodology. Applications of finite-element and finite-difference codes to the thermal-structural design-analysis of space transports and structures are discussed. The interaction between the thermal and structural analyses has led to development of finite-element thermal methodology to improve the integration between these two disciplines. The integrated thermal-structural analysis capability developed within the framework of a computer code is outlined.

Structural safety analysis based on seismic service conditions for butterfly valves in a nuclear power plant.

PubMed

Han, Sang-Uk; Ahn, Dae-Gyun; Lee, Myeong-Gon; Lee, Kwon-Hee; Han, Seung-Ho

2014-01-01

The structural integrity of valves that are used to control cooling waters in the primary coolant loop that prevents boiling within the reactor in a nuclear power plant must be capable of withstanding earthquakes or other dangerous situations. In this study, numerical analyses using a finite element method, that is, static and dynamic analyses according to the rigid or flexible characteristics of the dynamic properties of a 200A butterfly valve, were performed according to the KEPIC MFA. An experimental vibration test was also carried out in order to verify the results from the modal analysis, in which a validated finite element model was obtained via a model-updating method that considers changes in the in situ experimental data. By using a validated finite element model, the equivalent static load under SSE conditions stipulated by the KEPIC MFA gave a stress of 135 MPa that occurred at the connections of the stem and body. A larger stress of 183 MPa was induced when we used a CQC method with a design response spectrum that uses 2% damping ratio. These values were lower than the allowable strength of the materials used for manufacturing the butterfly valve, and, therefore, its structural safety met the KEPIC MFA requirements.

Experimental validation of structural optimization methods

NASA Technical Reports Server (NTRS)

Adelman, Howard M.

1992-01-01

The topic of validating structural optimization methods by use of experimental results is addressed. The need for validating the methods as a way of effecting a greater and an accelerated acceptance of formal optimization methods by practicing engineering designers is described. The range of validation strategies is defined which includes comparison of optimization results with more traditional design approaches, establishing the accuracy of analyses used, and finally experimental validation of the optimization results. Examples of the use of experimental results to validate optimization techniques are described. The examples include experimental validation of the following: optimum design of a trussed beam; combined control-structure design of a cable-supported beam simulating an actively controlled space structure; minimum weight design of a beam with frequency constraints; minimization of the vibration response of helicopter rotor blade; minimum weight design of a turbine blade disk; aeroelastic optimization of an aircraft vertical fin; airfoil shape optimization for drag minimization; optimization of the shape of a hole in a plate for stress minimization; optimization to minimize beam dynamic response; and structural optimization of a low vibration helicopter rotor.

An evaluation of patients' experienced usability of a diabetes mHealth system using a multi-method approach.

PubMed

Georgsson, Mattias; Staggers, Nancy

2016-02-01

mHealth systems are becoming more common to aid patients in their diabetes self-management, but recent studies indicate a need for thorough evaluation of patients' experienced usability. Current evaluations lack a multi-method design for data collection and structured methods for data analyses. The purpose of this study was to provide a feasibility test of a multi-method approach for both data collection and data analyses for patients' experienced usability of a mHealth system for diabetes type 2 self-management. A random sample of 10 users was selected from a larger clinical trial. Data collection methods included user testing with eight representative tasks and Think Aloud protocol, a semi-structured interview and a questionnaire on patients' experiences using the system. The Framework Analysis (FA) method and Usability Problem Taxonomy (UPT) were used to structure, code and analyze the results. A usability severity rating was assigned after classification. The combined methods resulted in a total of 117 problems condensed into 19 usability issues with an average severity rating of 2.47 or serious. The usability test detected 50% of the initial usability problems, followed by the post-interview at 29%. The usability test found 18 of 19 consolidated usability problems while the questionnaire uncovered one unique issue. Patients experienced most usability problems (8) in the Glucose Readings View when performing complex tasks such as adding, deleting, and exporting glucose measurements. The severity ratings were the highest for the Glucose Diary View, Glucose Readings View, and Blood Pressure View with an average severity rating of 3 (serious). Most of the issues were classified under the artifact component of the UPT and primary categories of Visualness (7) and Manipulation (6). In the UPT task component, most issues were in the primary category Task-mapping (12). Multiple data collection methods yielded a more comprehensive set of usability issues. Usability testing uncovered the largest volume of usability issues, followed by interviewing and then the questionnaire. The interview did not surface any unique consolidated usability issues while the questionnaire surfaced one. The FA and UPT were valuable in structuring and classifying problems. The resulting descriptions serve as a communication tool in problem solving and programming. We recommend the usage of multiple methods in data collection and employing the FA and UPT in data analyses for future usability testing. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Methodologie de modelisation aerostructurelle d'une aile utilisant un logiciel de calcul aerodynamique et un logiciel de calcul par elements finis =

NASA Astrophysics Data System (ADS)

Communier, David

Lors de l'etude structurelle d'une aile d'avion, il est difficile de modeliser fidelement les forces aerodynamiques subies par l'aile de l'avion. Pour faciliter l'analyse, on repartit la portance maximale theorique de l'aile sur son longeron principal ou sur ses nervures. La repartition utilisee implique que l'aile entiere sera plus resistante que necessaire et donc que la structure ne sera pas totalement optimisee. Pour pallier ce probleme, il faudrait s'assurer d'appliquer une repartition aerodynamique de la portance sur la surface complete de l'aile. On serait donc en mesure d'obtenir une repartition des charges sur l'aile beaucoup plus fiable. Pour le realiser, nous aurons besoin de coupler les resultats d'un logiciel calculant les charges aerodynamiques de l'aile avec les resultats d'un logiciel permettant sa conception et son analyse structurelle. Dans ce projet, le logiciel utilise pour calculer les coefficients de pression sur l'aile est XFLR5 et le logiciel permettant la conception et l'analyse structurelle sera CATIA V5. Le logiciel XFLR5 permet une analyse rapide d'une aile en se basant sur l'analyse de ses profils. Ce logiciel calcule les performances des profils de la meme maniere que XFOIL et permet de choisir parmi trois methodes de calcul pour obtenir les performances de l'aile : Lifting Line Theory (LLT), Vortex Lattice Method (VLM) et 3D Panels. Dans notre methodologie, nous utilisons la methode de calcul 3D Panels dont la validite a ete testee en soufflerie pour confirmer les calculs sur XFLR5. En ce qui concerne la conception et l'analyse par des elements finis de la structure, le logiciel CATIA V5 est couramment utilise dans le domaine aerospatial. CATIA V5 permet une automatisation des etapes de conception de l'aile. Ainsi, dans ce memoire, nous allons decrire la methodologie permettant l'etude aerostructurelle d'une aile d'avion.

Confirmatory Factor and Rasch Analyses Support a Revised 14-Item Version of the Organizational, Policies, and Practices (OPP) Scale.

PubMed

Shi, Qiyun; MacDermid, Joy C; Tang, Kenneth; Sinden, Kathryn E; Walton, Dave; Grewal, Ruby

2017-06-01

Background The long version of the organizational, policies and practices (OPP) had a high burden and short versions were developed to solve this drawback. The 11-item version showed promise, but the ergonomic subscale was deficient. The OPP-14 was developed by adding three additional items to the ergonomics subscale. The aim of this study is to evaluate the factor structure using confirmatory factor and Rasch analyses in healthy firefighters. Methods A sample of 261 firefighters (Mean age 42 years, 95 % male) were sampled. A confirmatory factor and Rasch analyses were used to assess the internal consistency, factor structure and other psychometric characteristics of revised OPP-14. Results The OPP-14 demonstrates sound factor structure and internal consistency in firefighters. Confirmatory factor analysis confirmed the consistency of the original 4-domain structure (CFI = 0.97, TLI = 0.96, and RMSEA = 0.053). The 5 items showing misfit initially with disordered thresholds were rescored. The four subscales satisfied Rasch expectations with well target and acceptable reliability. Conclusions The OPP-14 scale shows a promising factor structure in this sample and remediated deficits found in OPP-11. This version may be preferable for musculoskeletal concerns or work applications where ergonomic indicators are relevant.

The Scottish Structural Proteomics Facility: targets, methods and outputs

PubMed Central

Oke, Muse; Carter, Lester G.; Johnson, Kenneth A.; Liu, Huanting; McMahon, Stephen A.; Yan, Xuan; Kerou, Melina; Weikart, Nadine D.; Kadi, Nadia; Sheikh, Md. Arif; Schmelz, Stefan; Dorward, Mark; Zawadzki, Michal; Cozens, Christopher; Falconer, Helen; Powers, Helen; Overton, Ian M.; van Niekerk, C. A. Johannes; Peng, Xu; Patel, Prakash; Garrett, Roger A.; Prangishvili, David; Botting, Catherine H.; Coote, Peter J.; Dryden, David T. F.; Barton, Geoffrey J.; Schwarz-Linek, Ulrich; Challis, Gregory L.; Taylor, Garry L.; White, Malcolm F.

2010-01-01

The Scottish Structural Proteomics Facility was funded to develop a laboratory scale approach to high throughput structure determination. The effort was successful in that over 40 structures were determined. These structures and the methods harnessed to obtain them are reported here. This report reflects on the value of automation but also on the continued requirement for a high degree of scientific and technical expertise. The efficiency of the process poses challenges to the current paradigm of structural analysis and publication. In the 5 year period we published ten peer-reviewed papers reporting structural data arising from the pipeline. Nevertheless, the number of structures solved exceeded our ability to analyse and publish each new finding. By reporting the experimental details and depositing the structures we hope to maximize the impact of the project by allowing others to follow up the relevant biology. Electronic supplementary material The online version of this article (doi:10.1007/s10969-010-9090-y) contains supplementary material, which is available to authorized users. PMID:20419351

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.

Fast-Running Aeroelastic Code Based on Unsteady Linearized Aerodynamic Solver Developed

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Bakhle, Milind A.; Keith, T., Jr.

2003-01-01

The NASA Glenn Research Center has been developing aeroelastic analyses for turbomachines for use by NASA and industry. An aeroelastic analysis consists of a structural dynamic model, an unsteady aerodynamic model, and a procedure to couple the two models. The structural models are well developed. Hence, most of the development for the aeroelastic analysis of turbomachines has involved adapting and using unsteady aerodynamic models. Two methods are used in developing unsteady aerodynamic analysis procedures for the flutter and forced response of turbomachines: (1) the time domain method and (2) the frequency domain method. Codes based on time domain methods require considerable computational time and, hence, cannot be used during the design process. Frequency domain methods eliminate the time dependence by assuming harmonic motion and, hence, require less computational time. Early frequency domain analyses methods neglected the important physics of steady loading on the analyses for simplicity. A fast-running unsteady aerodynamic code, LINFLUX, which includes steady loading and is based on the frequency domain method, has been modified for flutter and response calculations. LINFLUX, solves unsteady linearized Euler equations for calculating the unsteady aerodynamic forces on the blades, starting from a steady nonlinear aerodynamic solution. First, we obtained a steady aerodynamic solution for a given flow condition using the nonlinear unsteady aerodynamic code TURBO. A blade vibration analysis was done to determine the frequencies and mode shapes of the vibrating blades, and an interface code was used to convert the steady aerodynamic solution to a form required by LINFLUX. A preprocessor was used to interpolate the mode shapes from the structural dynamic mesh onto the computational dynamics mesh. Then, we used LINFLUX to calculate the unsteady aerodynamic forces for a given mode, frequency, and phase angle. A postprocessor read these unsteady pressures and calculated the generalized aerodynamic forces, eigenvalues, and response amplitudes. The eigenvalues determine the flutter frequency and damping. As a test case, the flutter of a helical fan was calculated with LINFLUX and compared with calculations from TURBO-AE, a nonlinear time domain code, and from ASTROP2, a code based on linear unsteady aerodynamics.

Improving small-angle X-ray scattering data for structural analyses of the RNA world

PubMed Central

Rambo, Robert P.; Tainer, John A.

2010-01-01

Defining the shape, conformation, or assembly state of an RNA in solution often requires multiple investigative tools ranging from nucleotide analog interference mapping to X-ray crystallography. A key addition to this toolbox is small-angle X-ray scattering (SAXS). SAXS provides direct structural information regarding the size, shape, and flexibility of the particle in solution and has proven powerful for analyses of RNA structures with minimal requirements for sample concentration and volumes. In principle, SAXS can provide reliable data on small and large RNA molecules. In practice, SAXS investigations of RNA samples can show inconsistencies that suggest limitations in the SAXS experimental analyses or problems with the samples. Here, we show through investigations on the SAM-I riboswitch, the Group I intron P4-P6 domain, 30S ribosomal subunit from Sulfolobus solfataricus (30S), brome mosaic virus tRNA-like structure (BMV TLS), Thermotoga maritima asd lysine riboswitch, the recombinant tRNAval, and yeast tRNAphe that many problems with SAXS experiments on RNA samples derive from heterogeneity of the folded RNA. Furthermore, we propose and test a general approach to reducing these sample limitations for accurate SAXS analyses of RNA. Together our method and results show that SAXS with synchrotron radiation has great potential to provide accurate RNA shapes, conformations, and assembly states in solution that inform RNA biological functions in fundamental ways. PMID:20106957

Field emission properties of nano-structured cobalt ferrite (CoFe2O4) synthesized by low-temperature chemical method

NASA Astrophysics Data System (ADS)

Ansari, S. M.; Suryawanshi, S. R.; More, M. A.; Sen, Debasis; Kolekar, Y. D.; Ramana, C. V.

2018-06-01

We report on the field-emission properties of structure-morphology controlled nano-CoFe2O4 (CFO) synthesized via a simple and low-temperature chemical method. Structural analyses indicate that the spongy-CFO (approximately, 2.96 nm) is nano-structured, spherical, uniformly-distributed, cubic-structured and porous. Field emission studies reveal that CFO exhibit low turn-on field (4.27 V/μm) and high emission current-density (775 μA/cm2) at a lower applied electric field of 6.80 V/μm. In addition, extremely good emission current stability is obtained at a pre-set value of 1 μA and high emission spot-density over large area (2 × 2 cm2) suggesting the applicability of these materials for practical applications in vacuum micro-/nano-electronics.

Validation of Laser-Induced Fluorescent Photogrammetric Targets on Membrane Structures

NASA Technical Reports Server (NTRS)

Jones, Thomas W.; Dorrington, Adrian A.; Shortis, Mark R.; Hendricks, Aron R.

2004-01-01

The need for static and dynamic characterization of a new generation of inflatable space structures requires the advancement of classical metrology techniques. A new photogrammetric-based method for non-contact ranging and surface profiling has been developed at NASA Langley Research Center (LaRC) to support modal analyses and structural validation of this class of space structures. This full field measurement method, known as Laser-Induced Fluorescence (LIF) photogrammetry, has previously yielded promising experimental results. However, data indicating the achievable measurement precision had not been published. This paper provides experimental results that indicate the LIF-photogrammetry measurement precision for three different target types used on a reflective membrane structure. The target types were: (1) non-contact targets generated using LIF, (2) surface attached retro-reflective targets, and (3) surface attached diffuse targets. Results from both static and dynamic investigations are included.

Shrinkage regression-based methods for microarray missing value imputation.

PubMed

Wang, Hsiuying; Chiu, Chia-Chun; Wu, Yi-Ching; Wu, Wei-Sheng

2013-01-01

Missing values commonly occur in the microarray data, which usually contain more than 5% missing values with up to 90% of genes affected. Inaccurate missing value estimation results in reducing the power of downstream microarray data analyses. Many types of methods have been developed to estimate missing values. Among them, the regression-based methods are very popular and have been shown to perform better than the other types of methods in many testing microarray datasets. To further improve the performances of the regression-based methods, we propose shrinkage regression-based methods. Our methods take the advantage of the correlation structure in the microarray data and select similar genes for the target gene by Pearson correlation coefficients. Besides, our methods incorporate the least squares principle, utilize a shrinkage estimation approach to adjust the coefficients of the regression model, and then use the new coefficients to estimate missing values. Simulation results show that the proposed methods provide more accurate missing value estimation in six testing microarray datasets than the existing regression-based methods do. Imputation of missing values is a very important aspect of microarray data analyses because most of the downstream analyses require a complete dataset. Therefore, exploring accurate and efficient methods for estimating missing values has become an essential issue. Since our proposed shrinkage regression-based methods can provide accurate missing value estimation, they are competitive alternatives to the existing regression-based methods.

"I See What You Mean": Using Visual Data Collection Methods to Explore Leadership Curriculum Planning

ERIC Educational Resources Information Center

Reid, Anna; Koglbauer, René

2018-01-01

This article reports on the use of a visual methods approach to collecting and analysing data in relation to the area of leadership curriculum development. The focus of the study is the structure of the current leadership curriculum for the National Professional Qualifications (NPQs) in England. In particular, the authors explore the extent to…

Northwest Montana/North Idaho transmission corridor study: a computer-assisted corridor location and impact evaluation assessment

Treesearch

Timothy J. Murray; Daniel J. Bisenius; Jay G. Marcotte

1979-01-01

A computer-assisted method was used to locate and evaluate approximately 1,200 miles of alternative corridors within an 8,000 square mile study region. The method involved in-depth impact analyses for nine major location criteria or determinant models. Regional "experts" from the Rocky Mountain area participated with BPA in developing model structure....

Bioelectrochemical Systems Workshop:Standardized Analyses, Design Benchmarks, and Reporting

DTIC Science & Technology

2012-01-01

related to the exoelectrogenic biofilm activity, and to investigate whether the community structure is a function of design and operational parameters...where should biofilm samples be collected? The most prevalent methods of community characterization in BES studies have entailed phylogenetic ...of function associated with this genetic marker, and in methods that involve polymerase chain reaction (PCR) amplification the quantitative

Three novel approaches to structural identifiability analysis in mixed-effects models.

PubMed

Janzén, David L I; Jirstrand, Mats; Chappell, Michael J; Evans, Neil D

2016-05-06

Structural identifiability is a concept that considers whether the structure of a model together with a set of input-output relations uniquely determines the model parameters. In the mathematical modelling of biological systems, structural identifiability is an important concept since biological interpretations are typically made from the parameter estimates. For a system defined by ordinary differential equations, several methods have been developed to analyse whether the model is structurally identifiable or otherwise. Another well-used modelling framework, which is particularly useful when the experimental data are sparsely sampled and the population variance is of interest, is mixed-effects modelling. However, established identifiability analysis techniques for ordinary differential equations are not directly applicable to such models. In this paper, we present and apply three different methods that can be used to study structural identifiability in mixed-effects models. The first method, called the repeated measurement approach, is based on applying a set of previously established statistical theorems. The second method, called the augmented system approach, is based on augmenting the mixed-effects model to an extended state-space form. The third method, called the Laplace transform mixed-effects extension, is based on considering the moment invariants of the systems transfer function as functions of random variables. To illustrate, compare and contrast the application of the three methods, they are applied to a set of mixed-effects models. Three structural identifiability analysis methods applicable to mixed-effects models have been presented in this paper. As method development of structural identifiability techniques for mixed-effects models has been given very little attention, despite mixed-effects models being widely used, the methods presented in this paper provides a way of handling structural identifiability in mixed-effects models previously not possible. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Analysing hierarchy in the organization of biological and physical systems.

PubMed

Jagers op Akkerhuis, Gerard A J M

2008-02-01

A structured approach is discussed for analysing hierarchy in the organization of biological and physical systems. The need for a structured approach follows from the observation that many hierarchies in the literature apply conflicting hierarchy rules and include ill-defined systems. As an alternative, we suggest a framework that is based on the following analytical steps: determination of the succession stage of the universe, identification of a specific system as part of the universe, specification of external influences on a system's creation and analysis of a system's internal organization. At the end, the paper discusses practical implications of the proposed method for the analysis of system organization and hierarchy in biology, ecology and physics.

Clumpak: a program for identifying clustering modes and packaging population structure inferences across K.

PubMed

Kopelman, Naama M; Mayzel, Jonathan; Jakobsson, Mattias; Rosenberg, Noah A; Mayrose, Itay

2015-09-01

The identification of the genetic structure of populations from multilocus genotype data has become a central component of modern population-genetic data analysis. Application of model-based clustering programs often entails a number of steps, in which the user considers different modelling assumptions, compares results across different predetermined values of the number of assumed clusters (a parameter typically denoted K), examines multiple independent runs for each fixed value of K, and distinguishes among runs belonging to substantially distinct clustering solutions. Here, we present Clumpak (Cluster Markov Packager Across K), a method that automates the postprocessing of results of model-based population structure analyses. For analysing multiple independent runs at a single K value, Clumpak identifies sets of highly similar runs, separating distinct groups of runs that represent distinct modes in the space of possible solutions. This procedure, which generates a consensus solution for each distinct mode, is performed by the use of a Markov clustering algorithm that relies on a similarity matrix between replicate runs, as computed by the software Clumpp. Next, Clumpak identifies an optimal alignment of inferred clusters across different values of K, extending a similar approach implemented for a fixed K in Clumpp and simplifying the comparison of clustering results across different K values. Clumpak incorporates additional features, such as implementations of methods for choosing K and comparing solutions obtained by different programs, models, or data subsets. Clumpak, available at http://clumpak.tau.ac.il, simplifies the use of model-based analyses of population structure in population genetics and molecular ecology. © 2015 John Wiley & Sons Ltd.

Testing the equivalence of modern human cranial covariance structure: Implications for bioarchaeological applications.

PubMed

von Cramon-Taubadel, Noreen; Schroeder, Lauren

2016-10-01

Estimation of the variance-covariance (V/CV) structure of fragmentary bioarchaeological populations requires the use of proxy extant V/CV parameters. However, it is currently unclear whether extant human populations exhibit equivalent V/CV structures. Random skewers (RS) and hierarchical analyses of common principal components (CPC) were applied to a modern human cranial dataset. Cranial V/CV similarity was assessed globally for samples of individual populations (jackknifed method) and for pairwise population sample contrasts. The results were examined in light of potential explanatory factors for covariance difference, such as geographic region, among-group distance, and sample size. RS analyses showed that population samples exhibited highly correlated multivariate responses to selection, and that differences in RS results were primarily a consequence of differences in sample size. The CPC method yielded mixed results, depending upon the statistical criterion used to evaluate the hierarchy. The hypothesis-testing (step-up) approach was deemed problematic due to sensitivity to low statistical power and elevated Type I errors. In contrast, the model-fitting (lowest AIC) approach suggested that V/CV matrices were proportional and/or shared a large number of CPCs. Pairwise population sample CPC results were correlated with cranial distance, suggesting that population history explains some of the variability in V/CV structure among groups. The results indicate that patterns of covariance in human craniometric samples are broadly similar but not identical. These findings have important implications for choosing extant covariance matrices to use as proxy V/CV parameters in evolutionary analyses of past populations. © 2016 Wiley Periodicals, Inc.

Application of a real-space three-dimensional image reconstruction method in the structural analysis of noncrystalline biological macromolecules enveloped by water in coherent x-ray diffraction microscopy.

PubMed

Kodama, Wataru; Nakasako, Masayoshi

2011-08-01

Coherent x-ray diffraction microscopy is a novel technique in the structural analyses of particles that are difficult to crystallize, such as the biological particles composing living cells. As water is indispensable for maintaining particles in functional structures, sufficient hydration of targeted particles is required during sample preparation for diffraction microscopy experiments. However, the water enveloping particles also contributes significantly to the diffraction patterns and reduces the electron-density contrast of the sample particles. In this study, we propose a protocol for the structural analyses of particles in water by applying a three-dimensional reconstruction method in real space for the projection images phase-retrieved from diffraction patterns, together with a developed density modification technique. We examined the feasibility of the protocol through three simulations involving a protein molecule in a vacuum, and enveloped in either a droplet or a cube-shaped water. The simulations were carried out for the diffraction patterns in the reciprocal planes normal to the incident x-ray beam. This assumption and the simulation conditions corresponded to experiments using x-ray wavelengths of shorter than 0.03 Å. The analyses demonstrated that our protocol provided an interpretable electron-density map. Based on the results, we discuss the advantages and limitations of the proposed protocol and its practical application for experimental data. In particular, we examined the influence of Poisson noise in diffraction patterns on the reconstructed three-dimensional electron density in the proposed protocol.

Analysis for the Progressive Failure Response of Textile Composite Fuselage Frames

NASA Technical Reports Server (NTRS)

Johnson, Eric R.; Boitnott, Richard L. (Technical Monitor)

2002-01-01

A part of aviation accident mitigation is a crashworthy airframe structure, and an important measure of merit for a crashworthy structure is the amount of kinetic energy that can be absorbed in the crush of the structure. Prediction of the energy absorbed from finite element analyses requires modeling the progressive failure sequence. Progressive failure modes may include material degradation, fracture and crack growth, and buckling and collapse. The design of crashworthy airframe components will benefit from progressive failure analyses that have been validated by tests. The subject of this research is the development of a progressive failure analysis for a textile composite, circumferential fuselage frame subjected to a quasi-static, crash-type load. The test data for the frame are reported, and these data are used to develop and to validate methods for the progressive failure response.

Form and function in hillslope hydrology: in situ imaging and characterization of flow-relevant structures

NASA Astrophysics Data System (ADS)

Jackisch, Conrad; Angermann, Lisa; Allroggen, Niklas; Sprenger, Matthias; Blume, Theresa; Tronicke, Jens; Zehe, Erwin

2017-07-01

The study deals with the identification and characterization of rapid subsurface flow structures through pedo- and geo-physical measurements and irrigation experiments at the point, plot and hillslope scale. Our investigation of flow-relevant structures and hydrological responses refers to the general interplay of form and function, respectively. To obtain a holistic picture of the subsurface, a large set of different laboratory, exploratory and experimental methods was used at the different scales. For exploration these methods included drilled soil core profiles, in situ measurements of infiltration capacity and saturated hydraulic conductivity, and laboratory analyses of soil water retention and saturated hydraulic conductivity. The irrigation experiments at the plot scale were monitored through a combination of dye tracer, salt tracer, soil moisture dynamics, and 3-D time-lapse ground penetrating radar (GPR) methods. At the hillslope scale the subsurface was explored by a 3-D GPR survey. A natural storm event and an irrigation experiment were monitored by a dense network of soil moisture observations and a cascade of 2-D time-lapse GPR trenches. We show that the shift between activated and non-activated state of the flow paths is needed to distinguish structures from overall heterogeneity. Pedo-physical analyses of point-scale samples are the basis for sub-scale structure inference. At the plot and hillslope scale 3-D and 2-D time-lapse GPR applications are successfully employed as non-invasive means to image subsurface response patterns and to identify flow-relevant paths. Tracer recovery and soil water responses from irrigation experiments deliver a consistent estimate of response velocities. The combined observation of form and function under active conditions provides the means to localize and characterize the structures (this study) and the hydrological processes (companion study Angermann et al., 2017, this issue).

Random mechanics: Nonlinear vibrations, turbulences, seisms, swells, fatigue

NASA Astrophysics Data System (ADS)

Kree, P.; Soize, C.

The random modeling of physical phenomena, together with probabilistic methods for the numerical calculation of random mechanical forces, are analytically explored. Attention is given to theoretical examinations such as probabilistic concepts, linear filtering techniques, and trajectory statistics. Applications of the methods to structures experiencing atmospheric turbulence, the quantification of turbulence, and the dynamic responses of the structures are considered. A probabilistic approach is taken to study the effects of earthquakes on structures and to the forces exerted by ocean waves on marine structures. Theoretical analyses by means of vector spaces and stochastic modeling are reviewed, as are Markovian formulations of Gaussian processes and the definition of stochastic differential equations. Finally, random vibrations with a variable number of links and linear oscillators undergoing the square of Gaussian processes are investigated.

Disentangling the co-structure of multilayer interaction networks: degree distribution and module composition in two-layer bipartite networks.

PubMed

Astegiano, Julia; Altermatt, Florian; Massol, François

2017-11-13

Species establish different interactions (e.g. antagonistic, mutualistic) with multiple species, forming multilayer ecological networks. Disentangling network co-structure in multilayer networks is crucial to predict how biodiversity loss may affect the persistence of multispecies assemblages. Existing methods to analyse multilayer networks often fail to consider network co-structure. We present a new method to evaluate the modular co-structure of multilayer networks through the assessment of species degree co-distribution and network module composition. We focus on modular structure because of its high prevalence among ecological networks. We apply our method to two Lepidoptera-plant networks, one describing caterpillar-plant herbivory interactions and one representing adult Lepidoptera nectaring on flowers, thereby possibly pollinating them. More than 50% of the species established either herbivory or visitation interactions, but not both. These species were over-represented among plants and lepidopterans, and were present in most modules in both networks. Similarity in module composition between networks was high but not different from random expectations. Our method clearly delineates the importance of interpreting multilayer module composition similarity in the light of the constraints imposed by network structure to predict the potential indirect effects of species loss through interconnected modular networks.

Short Time Impulse Response Function (STIRF) for automatic evaluation of the variation of the dynamic parameters of reinforced concrete framed structures during strong earthquakes.

NASA Astrophysics Data System (ADS)

Carlo Ponzo, Felice; Ditommaso, Rocco

2015-04-01

This study presents an innovative strategy for automatic evaluation of the variable fundamental frequency and related damping factor of nonlinear structures during strong motion phases. Most of methods for damage detection are based on the assessment of the variations of the dynamic parameters characterizing the monitored structure. A crucial aspect of these methods is the automatic and accurate estimation of both structural eigen-frequencies and related damping factors also during the nonlinear behaviour. A new method, named STIRF (Short-Time Impulse Response Function - STIRF), based on the nonlinear interferometric analysis combined with the Fourier Transform (FT) here is proposed in order to allow scientists and engineers to characterize frequencies and damping variations of a monitored structure. The STIRF approach helps to overcome some limitation derived from the use of techniques based on simple Fourier Transform. These latter techniques provide good results when the response of the monitored system is stationary, but fails when the system exhibits a non-stationary, time-varying behaviour: even non-stationary input, soil-foundation and/or adjacent structures interaction phenomena can show the inadequacy of classic techniques to analysing the nonlinear and/or non-stationary behaviour of structures. In fact, using this kind of approach it is possible to improve some of the existing methods for the automatic damage detection providing stable results also during the strong motion phase. Results are consistent with those expected if compared with other techniques. The main advantage derived from the use of the proposed approach (STIRF) for Structural Health Monitoring is based on the simplicity of the interpretation of the nonlinear variations of the fundamental frequency and the related equivalent viscous damping factor. The proposed methodology has been tested on both numerical and experimental models also using data retrieved from shaking table tests. Based on the results provided in this study, the methodology seems to be able to evaluate fast variations (over time) of dynamic parameters of a generic reinforced concrete framed structure. Further analyses are necessary to better calibrate the length of the moving time-window (in order to minimize the spurious frequency within each Interferometric Response Function evaluated on both weak and strong motion phases) and to verify the possibility to use the STIRF to analyse the nonlinear behaviour of general systems. Acknowledgements This study was partially funded by the Italian Civil Protection Department within the project DPC-RELUIS 2014 - RS4 ''Seismic observatory of structures and health monitoring''. References R. Ditommaso, F.C. Ponzo (2015). Automatic evaluation of the fundamental frequency variations and related damping factor of reinforced concrete framed structures using the Short Time Impulse Response Function (STIRF). Engineering Structures, 82 (2015), 104-112. http://dx.doi.org/10.1016/j.engstruct.2014.10.023.

Contemporary ultrasonic signal processing approaches for nondestructive evaluation of multilayered structures

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Harvey, David M.

2012-03-01

Various signal processing techniques have been used for the enhancement of defect detection and defect characterisation. Cross-correlation, filtering, autoregressive analysis, deconvolution, neural network, wavelet transform and sparse signal representations have all been applied in attempts to analyse ultrasonic signals. In ultrasonic nondestructive evaluation (NDE) applications, a large number of materials have multilayered structures. NDE of multilayered structures leads to some specific problems, such as penetration, echo overlap, high attenuation and low signal-to-noise ratio. The signals recorded from a multilayered structure are a class of very special signals comprised of limited echoes. Such signals can be assumed to have a sparse representation in a proper signal dictionary. Recently, a number of digital signal processing techniques have been developed by exploiting the sparse constraint. This paper presents a review of research to date, showing the up-to-date developments of signal processing techniques made in ultrasonic NDE. A few typical ultrasonic signal processing techniques used for NDE of multilayered structures are elaborated. The practical applications and limitations of different signal processing methods in ultrasonic NDE of multilayered structures are analysed.

Dynamics of a passive micro-vibration isolator based on a pretensioned plane cable net structure and fluid damper

NASA Astrophysics Data System (ADS)

Chen, Yanhao; Lu, Qi; Jing, Bo; Zhang, Zhiyi

2016-09-01

This paper addresses dynamic modelling and experiments on a passive vibration isolator for application in the space environment. The isolator is composed of a pretensioned plane cable net structure and a fluid damper in parallel. Firstly, the frequency response function (FRF) of a single cable is analysed according to the string theory, and the FRF synthesis method is adopted to establish a dynamic model of the plane cable net structure. Secondly, the equivalent damping coefficient of the fluid damper is analysed. Thirdly, experiments are carried out to compare the plane cable net structure, the fluid damper and the vibration isolator formed by the net and the damper, respectively. It is shown that the plane cable net structure can achieve substantial vibration attenuation but has a great amplification at its resonance frequency due to the light damping of cables. The damping effect of fluid damper is acceptable without taking the poor carrying capacity into consideration. Compared to the plane cable net structure and the fluid damper, the isolator has an acceptable resonance amplification as well as vibration attenuation.

A parallel-vector algorithm for rapid structural analysis on high-performance computers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

1990-01-01

A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the 'loop unrolling' technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large-scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

A parallel-vector algorithm for rapid structural analysis on high-performance computers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

1990-01-01

A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the loop unrolling technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

Properties of nanocrystalline Si layers embedded in structure of solar cell

NASA Astrophysics Data System (ADS)

Jurečka, Stanislav; Imamura, Kentaro; Matsumoto, Taketoshi; Kobayashi, Hikaru

2017-12-01

Suppression of spectral reflectance from the surface of solar cell is necessary for achieving a high energy conversion efficiency. We developed a simple method for forming nanocrystalline layers with ultralow reflectance in a broad range of wavelengths. The method is based on metal assisted etching of the silicon surface. In this work, we prepared Si solar cell structures with embedded nanocrystalline layers. The microstructure of embedded layer depends on the etching conditions. We examined the microstructure of the etched layers by a transmission electron microscope and analysed the experimental images by statistical and Fourier methods. The obtained results provide information on the applied treatment operations and can be used to optimize the solar cell forming procedure.

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.

The free and forced vibrations of structures using the finite dynamic element method. Ph.D. Thesis, Aug. 1991 Final Report

NASA Technical Reports Server (NTRS)

Fergusson, Neil J.

1992-01-01

In addition to an extensive review of the literature on exact and corrective displacement based methods of vibration analysis, a few theorems are proven concerning the various structural matrices involved in such analyses. In particular, the consistent mass matrix and the quasi-static mass matrix are shown to be equivalent, in the sense that the terms in their respective Taylor expansions are proportional to one another, and that they both lead to the same dynamic stiffness matrix when used with the appropriate stiffness matrix.

Improved accuracy for finite element structural analysis via an integrated force method

NASA Technical Reports Server (NTRS)

Patnaik, S. N.; Hopkins, D. A.; Aiello, R. A.; Berke, L.

1992-01-01

A comparative study was carried out to determine the accuracy of finite element analyses based on the stiffness method, a mixed method, and the new integrated force and dual integrated force methods. The numerical results were obtained with the following software: MSC/NASTRAN and ASKA for the stiffness method; an MHOST implementation method for the mixed method; and GIFT for the integrated force methods. The results indicate that on an overall basis, the stiffness and mixed methods present some limitations. The stiffness method generally requires a large number of elements in the model to achieve acceptable accuracy. The MHOST method tends to achieve a higher degree of accuracy for course models than does the stiffness method implemented by MSC/NASTRAN and ASKA. The two integrated force methods, which bestow simultaneous emphasis on stress equilibrium and strain compatibility, yield accurate solutions with fewer elements in a model. The full potential of these new integrated force methods remains largely unexploited, and they hold the promise of spawning new finite element structural analysis tools.

Earthquake Response of Concrete Gravity Dams Including Hydrodynamic and Foundation Interaction Effects,

DTIC Science & Technology

1980-01-01

standard procedure for Analysis of all types of civil engineering struc- tures. Early in its development, it became apparent that this method had...unique potentialities in the evaluation of stress in dams, and many of its earliest civil engineering applications concerned special problems associated...with such structures [3,4]. The earliest dynamic finite element analyses of civil engineering structures involved the earthquake response analysis of

Spatial genetic analyses reveal cryptic population structure and migration patterns in a continuously harvested grey wolf (Canis lupus) population in north-eastern Europe.

PubMed

Hindrikson, Maris; Remm, Jaanus; Männil, Peep; Ozolins, Janis; Tammeleht, Egle; Saarma, Urmas

2013-01-01

Spatial genetics is a relatively new field in wildlife and conservation biology that is becoming an essential tool for unravelling the complexities of animal population processes, and for designing effective strategies for conservation and management. Conceptual and methodological developments in this field are therefore critical. Here we present two novel methodological approaches that further the analytical possibilities of STRUCTURE and DResD. Using these approaches we analyse structure and migrations in a grey wolf (Canislupus) population in north-eastern Europe. We genotyped 16 microsatellite loci in 166 individuals sampled from the wolf population in Estonia and Latvia that has been under strong and continuous hunting pressure for decades. Our analysis demonstrated that this relatively small wolf population is represented by four genetic groups. We also used a novel methodological approach that uses linear interpolation to statistically test the spatial separation of genetic groups. The new method, which is capable of using program STRUCTURE output, can be applied widely in population genetics to reveal both core areas and areas of low significance for genetic groups. We also used a recently developed spatially explicit individual-based method DResD, and applied it for the first time to microsatellite data, revealing a migration corridor and barriers, and several contact zones.

Aeroelastic Stability and Response of Rotating Structures

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Reddy, T. S. R.

1998-01-01

A summary of the work performed from 1996 to 1997 is presented. More details can be found in the cited references. This grant led to the development of aeroelastic analyses methods for predicting flutter and forced response in fans, compressors, and turbines using computational

Jim Starnes' Contributions to Residual Strength Analysis Methods for Metallic Structures

NASA Technical Reports Server (NTRS)

Young, Richard D.; Rose, Cheryl A.; Harris, Charles E.

2005-01-01

A summary of advances in residual strength analyses methods for metallic structures that were realized under the leadership of Dr. James H. Starnes, Jr., is presented. The majority of research led by Dr. Starnes in this area was conducted in the 1990's under the NASA Airframe Structural Integrity Program (NASIP). Dr. Starnes, respectfully referred to herein as Jim, had a passion for studying complex response phenomena and dedicated a significant amount of research effort toward advancing damage tolerance and residual strength analysis methods for metallic structures. Jim's efforts were focused on understanding damage propagation in built-up fuselage structure with widespread fatigue damage, with the goal of ensuring safety in the aging international commercial transport fleet. Jim's major contributions in this research area were in identifying the effects of combined internal pressure and mechanical loads, and geometric nonlinearity, on the response of built-up structures with damage. Analytical and experimental technical results are presented to demonstrate the breadth and rigor of the research conducted in this technical area. Technical results presented herein are drawn exclusively from papers where Jim was a co-author.

Antibody Epitope Analysis to Investigate Folded Structure, Allosteric Conformation, and Evolutionary Lineage of Proteins.

PubMed

Wong, Sienna; Jin, J-P

2017-01-01

Study of folded structure of proteins provides insights into their biological functions, conformational dynamics and molecular evolution. Current methods of elucidating folded structure of proteins are laborious, low-throughput, and constrained by various limitations. Arising from these methods is the need for a sensitive, quantitative, rapid and high-throughput method not only analysing the folded structure of proteins, but also to monitor dynamic changes under physiological or experimental conditions. In this focused review, we outline the foundation and limitations of current protein structure-determination methods prior to discussing the advantages of an emerging antibody epitope analysis for applications in structural, conformational and evolutionary studies of proteins. We discuss the application of this method using representative examples in monitoring allosteric conformation of regulatory proteins and the determination of the evolutionary lineage of related proteins and protein isoforms. The versatility of the method described herein is validated by the ability to modulate a variety of assay parameters to meet the needs of the user in order to monitor protein conformation. Furthermore, the assay has been used to clarify the lineage of troponin isoforms beyond what has been depicted by sequence homology alone, demonstrating the nonlinear evolutionary relationship between primary structure and tertiary structure of proteins. The antibody epitope analysis method is a highly adaptable technique of protein conformation elucidation, which can be easily applied without the need for specialized equipment or technical expertise. When applied in a systematic and strategic manner, this method has the potential to reveal novel and biomedically meaningful information for structure-function relationship and evolutionary lineage of proteins. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Analysis of longitudinal data from animals where some data are missing in SPSS

PubMed Central

Duricki, DA; Soleman, S; Moon, LDF

2017-01-01

Testing of therapies for disease or injury often involves analysis of longitudinal data from animals. Modern analytical methods have advantages over conventional methods (particularly where some data are missing) yet are not used widely by pre-clinical researchers. We provide here an easy to use protocol for analysing longitudinal data from animals and present a click-by-click guide for performing suitable analyses using the statistical package SPSS. We guide readers through analysis of a real-life data set obtained when testing a therapy for brain injury (stroke) in elderly rats. We show that repeated measures analysis of covariance failed to detect a treatment effect when a few data points were missing (due to animal drop-out) whereas analysis using an alternative method detected a beneficial effect of treatment; specifically, we demonstrate the superiority of linear models (with various covariance structures) analysed using Restricted Maximum Likelihood estimation (to include all available data). This protocol takes two hours to follow. PMID:27196723

Recent advances in the analysis of behavioural organization and interpretation as indicators of animal welfare

PubMed Central

Asher, Lucy; Collins, Lisa M.; Ortiz-Pelaez, Angel; Drewe, Julian A.; Nicol, Christine J.; Pfeiffer, Dirk U.

2009-01-01

While the incorporation of mathematical and engineering methods has greatly advanced in other areas of the life sciences, they have been under-utilized in the field of animal welfare. Exceptions are beginning to emerge and share a common motivation to quantify ‘hidden’ aspects in the structure of the behaviour of an individual, or group of animals. Such analyses have the potential to quantify behavioural markers of pain and stress and quantify abnormal behaviour objectively. This review seeks to explore the scope of such analytical methods as behavioural indicators of welfare. We outline four classes of analyses that can be used to quantify aspects of behavioural organization. The underlying principles, possible applications and limitations are described for: fractal analysis, temporal methods, social network analysis, and agent-based modelling and simulation. We hope to encourage further application of analyses of behavioural organization by highlighting potential applications in the assessment of animal welfare, and increasing awareness of the scope for the development of new mathematical methods in this area. PMID:19740922

Micro- and macro-geographic scale effect on the molecular imprint of selection and adaptation in Norway spruce.

PubMed

Scalfi, Marta; Mosca, Elena; Di Pierro, Erica Adele; Troggio, Michela; Vendramin, Giovanni Giuseppe; Sperisen, Christoph; La Porta, Nicola; Neale, David B

2014-01-01

Forest tree species of temperate and boreal regions have undergone a long history of demographic changes and evolutionary adaptations. The main objective of this study was to detect signals of selection in Norway spruce (Picea abies [L.] Karst), at different sampling-scales and to investigate, accounting for population structure, the effect of environment on species genetic diversity. A total of 384 single nucleotide polymorphisms (SNPs) representing 290 genes were genotyped at two geographic scales: across 12 populations distributed along two altitudinal-transects in the Alps (micro-geographic scale), and across 27 populations belonging to the range of Norway spruce in central and south-east Europe (macro-geographic scale). At the macrogeographic scale, principal component analysis combined with Bayesian clustering revealed three major clusters, corresponding to the main areas of southern spruce occurrence, i.e. the Alps, Carpathians, and Hercynia. The populations along the altitudinal transects were not differentiated. To assess the role of selection in structuring genetic variation, we applied a Bayesian and coalescent-based F(ST)-outlier method and tested for correlations between allele frequencies and climatic variables using regression analyses. At the macro-geographic scale, the F(ST)-outlier methods detected together 11 F(ST)-outliers. Six outliers were detected when the same analyses were carried out taking into account the genetic structure. Regression analyses with population structure correction resulted in the identification of two (micro-geographic scale) and 38 SNPs (macro-geographic scale) significantly correlated with temperature and/or precipitation. Six of these loci overlapped with F(ST)-outliers, among them two loci encoding an enzyme involved in riboflavin biosynthesis and a sucrose synthase. The results of this study indicate a strong relationship between genetic and environmental variation at both geographic scales. It also suggests that an integrative approach combining different outlier detection methods and population sampling at different geographic scales is useful to identify loci potentially involved in adaptation.

Micro- and Macro-Geographic Scale Effect on the Molecular Imprint of Selection and Adaptation in Norway Spruce

PubMed Central

Scalfi, Marta; Mosca, Elena; Di Pierro, Erica Adele; Troggio, Michela; Vendramin, Giovanni Giuseppe; Sperisen, Christoph; La Porta, Nicola; Neale, David B.

2014-01-01

Forest tree species of temperate and boreal regions have undergone a long history of demographic changes and evolutionary adaptations. The main objective of this study was to detect signals of selection in Norway spruce (Picea abies [L.] Karst), at different sampling-scales and to investigate, accounting for population structure, the effect of environment on species genetic diversity. A total of 384 single nucleotide polymorphisms (SNPs) representing 290 genes were genotyped at two geographic scales: across 12 populations distributed along two altitudinal-transects in the Alps (micro-geographic scale), and across 27 populations belonging to the range of Norway spruce in central and south-east Europe (macro-geographic scale). At the macrogeographic scale, principal component analysis combined with Bayesian clustering revealed three major clusters, corresponding to the main areas of southern spruce occurrence, i.e. the Alps, Carpathians, and Hercynia. The populations along the altitudinal transects were not differentiated. To assess the role of selection in structuring genetic variation, we applied a Bayesian and coalescent-based F ST-outlier method and tested for correlations between allele frequencies and climatic variables using regression analyses. At the macro-geographic scale, the F ST-outlier methods detected together 11 F ST-outliers. Six outliers were detected when the same analyses were carried out taking into account the genetic structure. Regression analyses with population structure correction resulted in the identification of two (micro-geographic scale) and 38 SNPs (macro-geographic scale) significantly correlated with temperature and/or precipitation. Six of these loci overlapped with F ST-outliers, among them two loci encoding an enzyme involved in riboflavin biosynthesis and a sucrose synthase. The results of this study indicate a strong relationship between genetic and environmental variation at both geographic scales. It also suggests that an integrative approach combining different outlier detection methods and population sampling at different geographic scales is useful to identify loci potentially involved in adaptation. PMID:25551624

Chemical Characterization and Determination of the Anti-Oxidant Capacity of Two Brown Algae with Respect to Sampling Season and Morphological Structures Using Infrared Spectroscopy and Multivariate Analyses.

PubMed

Beratto, Angelo; Agurto, Cristian; Freer, Juanita; Peña-Farfal, Carlos; Troncoso, Nicolás; Agurto, Andrés; Castillo, Rosario Del P

2017-10-01

Brown algae biomass has been shown to be a highly important industrial source for the production of alginates and different nutraceutical products. The characterization of this biomass is necessary in order to allocate its use to specific applications according to the chemical and biological characteristics of this highly variable resource. The methods commonly used for algae characterization require a long time for the analysis and rigorous pretreatments of samples. In this work, nondestructive and fast analyses of different morphological structures from Lessonia spicata and Macrocystis pyrifera, which were collected during different seasons, were performed using Fourier transform infrared (FT-IR) techniques in combination with chemometric methods. Mid-infrared (IR) and near-infrared (NIR) spectral ranges were tested to evaluate the spectral differences between the species, seasons, and morphological structures of algae using a principal component analysis (PCA). Quantitative analyses of the polyphenol and alginate contents and the anti-oxidant capacity of the samples were performed using partial least squares (PLS) with both spectral ranges in order to build a predictive model for the rapid quantification of these parameters with industrial purposes. The PCA mainly showed differences in the samples based on seasonal sampling, where changes were observed in the bands corresponding to polysaccharides, proteins, and lipids. The obtained PLS models had high correlation coefficients (r) for the polyphenol content and anti-oxidant capacity (r > 0.9) and lower values for the alginate determination (0.7 < r < 0.8). Fourier transform infrared-based techniques were suitable tools for the rapid characterization of algae biomass, in which high variability in the samples was incorporated for the qualitative and quantitative analyses, and have the potential to be used on an industrial scale.

Origin, Migration Routes and Worldwide Population Genetic Structure of the Wheat Yellow Rust Pathogen Puccinia striiformis f.sp. tritici

PubMed Central

Ali, Sajid; Gladieux, Pierre; Leconte, Marc; Gautier, Angélique; Justesen, Annemarie F.; Hovmøller, Mogens S.; Enjalbert, Jérôme; de Vallavieille-Pope, Claude

2014-01-01

Analyses of large-scale population structure of pathogens enable the identification of migration patterns, diversity reservoirs or longevity of populations, the understanding of current evolutionary trajectories and the anticipation of future ones. This is particularly important for long-distance migrating fungal pathogens such as Puccinia striiformis f.sp. tritici (PST), capable of rapid spread to new regions and crop varieties. Although a range of recent PST invasions at continental scales are well documented, the worldwide population structure and the center of origin of the pathogen were still unknown. In this study, we used multilocus microsatellite genotyping to infer worldwide population structure of PST and the origin of new invasions based on 409 isolates representative of distribution of the fungus on six continents. Bayesian and multivariate clustering methods partitioned the set of multilocus genotypes into six distinct genetic groups associated with their geographical origin. Analyses of linkage disequilibrium and genotypic diversity indicated a strong regional heterogeneity in levels of recombination, with clear signatures of recombination in the Himalayan (Nepal and Pakistan) and near-Himalayan regions (China) and a predominant clonal population structure in other regions. The higher genotypic diversity, recombinant population structure and high sexual reproduction ability in the Himalayan and neighboring regions suggests this area as the putative center of origin of PST. We used clustering methods and approximate Bayesian computation (ABC) to compare different competing scenarios describing ancestral relationship among ancestral populations and more recently founded populations. Our analyses confirmed the Middle East-East Africa as the most likely source of newly spreading, high-temperature-adapted strains; Europe as the source of South American, North American and Australian populations; and Mediterranean-Central Asian populations as the origin of South African populations. Although most geographic populations are not markedly affected by recent dispersal events, this study emphasizes the influence of human activities on recent long-distance spread of the pathogen. PMID:24465211

The Decoding Toolbox (TDT): a versatile software package for multivariate analyses of functional imaging data

PubMed Central

Hebart, Martin N.; Görgen, Kai; Haynes, John-Dylan

2015-01-01

The multivariate analysis of brain signals has recently sparked a great amount of interest, yet accessible and versatile tools to carry out decoding analyses are scarce. Here we introduce The Decoding Toolbox (TDT) which represents a user-friendly, powerful and flexible package for multivariate analysis of functional brain imaging data. TDT is written in Matlab and equipped with an interface to the widely used brain data analysis package SPM. The toolbox allows running fast whole-brain analyses, region-of-interest analyses and searchlight analyses, using machine learning classifiers, pattern correlation analysis, or representational similarity analysis. It offers automatic creation and visualization of diverse cross-validation schemes, feature scaling, nested parameter selection, a variety of feature selection methods, multiclass capabilities, and pattern reconstruction from classifier weights. While basic users can implement a generic analysis in one line of code, advanced users can extend the toolbox to their needs or exploit the structure to combine it with external high-performance classification toolboxes. The toolbox comes with an example data set which can be used to try out the various analysis methods. Taken together, TDT offers a promising option for researchers who want to employ multivariate analyses of brain activity patterns. PMID:25610393

Research on Visual Analysis Methods of Terrorism Events

NASA Astrophysics Data System (ADS)

Guo, Wenyue; Liu, Haiyan; Yu, Anzhu; Li, Jing

2016-06-01

Under the situation that terrorism events occur more and more frequency throughout the world, improving the response capability of social security incidents has become an important aspect to test governments govern ability. Visual analysis has become an important method of event analysing for its advantage of intuitive and effective. To analyse events' spatio-temporal distribution characteristics, correlations among event items and the development trend, terrorism event's spatio-temporal characteristics are discussed. Suitable event data table structure based on "5W" theory is designed. Then, six types of visual analysis are purposed, and how to use thematic map and statistical charts to realize visual analysis on terrorism events is studied. Finally, experiments have been carried out by using the data provided by Global Terrorism Database, and the results of experiments proves the availability of the methods.

Multicomplex-based pharmacophore-guided 3D-QSAR studies of N-substituted 2'-(aminoaryl)benzothiazoles as Aurora-A inhibitors.

PubMed

He, Gu; Qiu, Minghua; Li, Rui; Ouyang, Liang; Wu, Fengbo; Song, Xiangrong; Cheng, Li; Xiang, Mingli; Yu, Luoting

2012-06-01

Aurora-A has been known as one of the most important targets for cancer therapy, and some Aurora-A inhibitors have entered clinical trails. In this study, combination of the ligand-based and structure-based methods is used to clarify the essential quantitative structure-activity relationship of known Aurora-A inhibitors, and multicomplex-based pharmacophore-guided method has been suggested to generate a comprehensive pharmacophore of Aurora-A kinase based on a collection of crystal structures of Aurora-A-inhibitor complex. This model has been successfully used to identify the bioactive conformation and align 37 structurally diverse N-substituted 2'-(aminoaryl)benzothiazoles derivatives. The quantitative structure-activity relationship analyses have been performed on these Aurora-A inhibitors based on multicomplex-based pharmacophore-guided alignment. These results may provide important information for further design and virtual screening of novel Aurora-A inhibitors. © 2012 John Wiley & Sons A/S.

Stress Analysis for the Formation of En Echelon Veins and Vortex Structures: a Lesson Plan with a Brief Illumination

NASA Astrophysics Data System (ADS)

Zeng, Z.; Birnbaum, S.

2006-12-01

An English lesson plan exploring stress analysis of En Echelon veins and vortex structures used in the bilingual course in Structural Geology at the National Science Training Base of China is described. Two mechanical models are introduced in class and both mathematical and mechanical analyses are conducted. Samples, pictures and case studies are selected from Britain, Switzerland, and China. These case studies are augmented from the previous research results of the first author. Students are guided through the entire thought process, including methods and procedures used in the stress analysis of geologic structures. The teaching procedures are also illustrated. The method showed is effective to help students to get the initial knowledge of quantitative analysis for the formation of geological structures. This work is supported by the Ministry of Education of China, the Education Bureau of Hubei Province of China and China University of Geosciences (Wuhan).

Structural Loads Analysis for Wave Energy Converters

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

van Rij, Jennifer A; Yu, Yi-Hsiang; Guo, Yi

2017-06-03

This study explores and verifies the generalized body-modes method for evaluating the structural loads on a wave energy converter (WEC). Historically, WEC design methodologies have focused primarily on accurately evaluating hydrodynamic loads, while methodologies for evaluating structural loads have yet to be fully considered and incorporated into the WEC design process. As wave energy technologies continue to advance, however, it has become increasingly evident that an accurate evaluation of the structural loads will enable an optimized structural design, as well as the potential utilization of composites and flexible materials, and hence reduce WEC costs. Although there are many computational fluidmore » dynamics, structural analyses and fluid-structure-interaction (FSI) codes available, the application of these codes is typically too computationally intensive to be practical in the early stages of the WEC design process. The generalized body-modes method, however, is a reduced order, linearized, frequency-domain FSI approach, performed in conjunction with the linear hydrodynamic analysis, with computation times that could realistically be incorporated into the WEC design process.« less

Preliminary structural design of a lunar transfer vehicle aerobrake. M.S. Thesis

NASA Technical Reports Server (NTRS)

Bush, Lance B.

1992-01-01

An aerobrake concept for a Lunar transfer vehicle was weight optimized through the use of the Taguchi design method, structural finite element analyses and structural sizing routines. Six design parameters were chosen to represent the aerobrake structural configuration. The design parameters included honeycomb core thickness, diameter to depth ratio, shape, material, number of concentric ring frames, and number of radial frames. Each parameter was assigned three levels. The minimum weight aerobrake configuration resulting from the study was approx. half the weight of the average of all twenty seven experimental configurations. The parameters having the most significant impact on the aerobrake structural weight were identified.

Industrial Instrument Mechanic. Occupational Analyses Series.

ERIC Educational Resources Information Center

Dean, Ann; Zagorac, Mike; Bumbaka, Nick

This analysis covers tasks performed by an industrial instrument mechanic, an occupational title some provinces and territories of Canada have also identified as industrial instrumentation and instrument mechanic. A guide to analysis discusses development, structure, and validation method; scope of the occupation; trends; and safety. To facilitate…

Steroidal saponins from fresh stems of Dracaena angustifolia

USDA-ARS?s Scientific Manuscript database

Six new steroidal saponins (1-6), angudracanosides A-F, were isolated from fresh stems of Dracaena angustifolia, together with eight known compounds. The structures of compounds 1-6 were determined by detailed spectroscopic analyses and chemical methods. Antifungal testing of all compounds showed th...

Maize - GO annotation methods, evaluation, and review (Maize-GAMER)

USDA-ARS?s Scientific Manuscript database

Making a genome sequence accessible and useful involves three basic steps: genome assembly, structural annotation, and functional annotation. The quality of data generated at each step influences the accuracy of inferences that can be made, with high-quality analyses produce better datasets resultin...

Farm Equipment Mechanic. Occupational Analyses Series.

ERIC Educational Resources Information Center

Ross, Douglas

This analysis covers tasks performed by a farm equipment mechanic, an occupational title some provinces and territories of Canada have also identified as agricultural machinery technician, agricultural mechanic, and farm equipment service technician. A guide to analysis discusses development, structure, and validation method; scope of the…

Recreation Vehicle Mechanic. Occupational Analyses Series.

ERIC Educational Resources Information Center

Dean, Ann; Embree, Rick

This analysis covers tasks performed by a recreation vehicle mechanic, an occupational title some provinces and territories of Canada have also identified as recreation vehicle technician and recreation vehicle service technician. A guide to analysis discusses development, structure, and validation method; scope of the occupation; trends; and…

Molybdenum modified phosphate glasses studied by 31P MAS NMR and Raman spectroscopy.

PubMed

Szumera, Magdalena

2015-02-25

Glasses have been synthesized in the system P2O5-SiO2-K2O-MgO-CaO modified by addition of MoO3. Glasses were prepared by conventional fusion method from 40 g batches. The influence of Mo-cations on the analysed glass structure was investigated by means of Raman and (31)P MAS-NMR techniques. It has been found that molybdate units can form Mo[MoO4/MoO6]-O-P and/or Mo[MoO4/MoO6]-O-Si bonds with non-bridging oxygens atoms of Q2 methaphosphate units, resulting in the transformation of chain methaphosphate structure into pyrophosphate and finally into orthophosphate structure. It has been also found that increasing amount of MoO3 in the structure of investigated glasses causes their gradual depolymerization and molybdenum ions in the analysed glass matrix act as modifying cations. Copyright © 2014 Elsevier B.V. All rights reserved.

Structure activity studies of an analgesic drug tapentadol hydrochloride by spectroscopic and quantum chemical methods

NASA Astrophysics Data System (ADS)

Arjunan, V.; Santhanam, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng

2015-11-01

Tapentadol is a novel opioid pain reliever drug with a dual mechanism of action, having potency between morphine and tramadol. Quantum chemical calculations have been carried out for tapentadol hydrochloride (TAP.Cl) to determine the properties. The geometry is optimised and the structural properties of the compound were determined from the optimised geometry by B3LYP method using 6-311++G(d,p), 6-31G(d,p) and cc-pVDZ basis sets. FT-IR and FT-Raman spectra are recorded in the solid phase in the region of 4000-400 and 4000-100 cm-1, respectively. Frontier molecular orbital energies, LUMO-HOMO energy gap, ionisation potential, electron affinity, electronegativity, hardness and chemical potential are also calculated. The stability of the molecule arising from hyperconjugative interactions and charge delocalisation has been analysed using NBO analysis. The 1H and 13C nuclear magnetic resonance chemical shifts of the molecule are analysed.

Computational Aspects of Sensitivity Calculations in Linear Transient Structural Analysis. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Greene, William H.

1989-01-01

A study has been performed focusing on the calculation of sensitivities of displacements, velocities, accelerations, and stresses in linear, structural, transient response problems. One significant goal was to develop and evaluate sensitivity calculation techniques suitable for large-order finite element analyses. Accordingly, approximation vectors such as vibration mode shapes are used to reduce the dimensionality of the finite element model. Much of the research focused on the accuracy of both response quantities and sensitivities as a function of number of vectors used. Two types of sensitivity calculation techniques were developed and evaluated. The first type of technique is an overall finite difference method where the analysis is repeated for perturbed designs. The second type of technique is termed semianalytical because it involves direct, analytical differentiation of the equations of motion with finite difference approximation of the coefficient matrices. To be computationally practical in large-order problems, the overall finite difference methods must use the approximation vectors from the original design in the analyses of the perturbed models.

Bio-, Magneto- and event-stratigraphy across the K-T boundary

NASA Technical Reports Server (NTRS)

Preisinger, A.; Stradner, H.; Mauritsch, H. J.

1988-01-01

Determining the time and the time structure of rare events in geology can be accomplished by applying three different and independent stratigraphic methods: Biostratigraphy, magneto-stratigraphy and event-stratigraphy. The optimal time resolution of the two former methods is about 1000 years, while by means of event-stratigraphy a resolution of approximately one year can be achieved. For biostratigraphy across the Cretaceous-Tertiary (K-T) boundary micro- and nannofossils have been found best suited. The qualitative and quantitative analyses of minerals and trace elements across the K-T boundary show anomalies on a millimeter scale and permit conclusions regarding the time structure of the K-T event itself. The results of the analyses find a most consistent explanation by the assumption of an extraterrestrial impact. The main portion of the material rain from the atmosphere evidently was deposited within a short time. The long-time components consist of the finest portion of the material rain from the atmosphere and the transported and redeposited fall-out.

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.

The structure of DSM-IV-TR personality disorder diagnoses in NESARC: a reanalysis.

PubMed

Trull, Timothy J; Vergés, Alvaro; Wood, Phillip K; Sher, Kenneth J

2013-12-01

Cox, Clara, Worobec, and Grant (2012) recently presented results from a series of analyses aimed at identifying the factor structure underlying the DSM-IV-TR (APA, 2000) personality diagnoses assessed in the large NESARC study. Cox et al. (2012) concluded that the best fitting model was one that modeled three lower-order factors (the three clusters of PDs as outlined by DSM-IV-TR), which in turn loaded on a single PD higher-order factor. Our reanalyses of the NESARC Wave 1 and Wave 2 data for personality disorder diagnoses revealed that the best fitting model was that of a general PD factor that spans each of the ten DSM-IV PD diagnoses, and our reanalyses do not support the three-cluster hierarchical structure outlined by Cox et al. (2012) and DSM-IV-TR. Finally, we note the importance of modeling the Wave 2 assessment method factor in analyses of NESARC PD data.

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

Analysis for the Progressive Failure Response of Textile Composite Fuselage Frames

NASA Technical Reports Server (NTRS)

Johnson, Eric R.; Boitnott, Richard L. (Technical Monitor)

2002-01-01

A part of aviation accident mitigation is a crash worthy airframe structure, and an important measure of merit for a crash worthy structure is the amount of kinetic energy that can be absorbed in the crush of the structure. Prediction of the energy absorbed from finite element analyses requires modeling the progressive failure sequence. Progressive failure modes may include material degradation, fracture and crack growth, and buckling and collapse. The design of crash worthy airframe components will benefit from progressive failure analyses that have been validated by tests. The subject of this research is the development of a progressive failure analysis for textile composite. circumferential fuselage frames subjected to a quasi-static, crash-type load. The test data for these frames are reported, and these data, along with stub column test data, are to be used to develop and to validate methods for the progressive failure response.

Posttest analysis of a 1:6-scale reinforced concrete reactor containment building

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

Weatherby, J.R.

In an experiment conducted at Sandia National Laboratories, 1:6-scale model of a reinforced concrete light water reactor containment building was pressurized with nitrogen gas to more than three times its design pressure. The pressurization produced one large tear and several smaller tears in the steel liner plate that functioned as the primary pneumatic seal for the structure. The data collected from the overpressurization test have been used to evaluate and further refine methods of structural analysis that can be used to predict the performance of containment buildings under conditions produced by a severe accident. This report describes posttest finite elementmore » analyses of the 1:6-scale model tests and compares pretest predictions of the structural response to the experimental results. Strain and displacements calculated in axisymmetric finite element analyses of the 1:6-scale model are compared to strains and displacement measured in the experiment. Detailed analyses of the liner plate are also described in the report. The region of the liner surrounding the large tear was analyzed using two different two-dimensional finite elements model. The results from these analyzed indicate that the primary mechanisms that initiated the tear can be captured in a two- dimensional finite element model. Furthermore, the analyses show that studs used to anchor the liner to the concrete wall, played an important role in initiating the liner tear. Three-dimensional finite element analyses of liner plates loaded by studs are also presented. Results from the three-dimensional analyses are compared to results from two-dimensional analyses of the same problems. 12 refs., 56 figs., 1 tab.« less

Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals.

PubMed

Swarna Sowmya, N; Sampathkrishnan, S; Vidyalakshmi, Y; Sudhahar, S; Mohan Kumar, R

2015-06-15

Organic nonlinear optical material, pyrrolidinium-2-carboxylate-4-nitrophenol (PCN) was synthesized and single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction analysis confirmed the structure and lattice parameters of PCN crystals. Infrared, Raman and NMR spectral analyses were used to elucidate the functional groups present in the compound. The thermal behavior of synthesized compound was studied by thermogravimetric and differential scanning calorimetry (TG-DSC) analyses. The photoluminescence property was studied by exciting the crystal at 360 nm. The relative second harmonic generation (SHG) efficiency of grown crystal was estimated by using Nd:YAG laser with fundamental wavelength of 1,064 nm. Copyright © 2015 Elsevier B.V. All rights reserved.

Static shape control for adaptive wings

NASA Astrophysics Data System (ADS)

Austin, Fred; Rossi, Michael J.; van Nostrand, William; Knowles, Gareth; Jameson, Antony

1994-09-01

A theoretical method was developed and experimentally validated, to control the static shape of flexible structures by employing internal translational actuators. A finite element model of the structure, without the actuators present, is employed to obtain the multiple-input, multiple-output control-system gain matrices for actuator-load control as well as actuator-displacement control. The method is applied to the quasistatic problem of maintaining an optimum-wing cross section during various transonic-cruise flight conditions to obtain significant reductions in the shock-induced drag. Only small, potentially achievable, adaptive modifications to the profile are required. The adaptive-wing concept employs actuators as truss elements of active ribs to reshape the wing cross section by deforming the structure. Finite element analyses of an adaptive-rib model verify the controlled-structure theory. Experiments on the model were conducted, and arbitrarily selected deformed shapes were accurately achieved.

Adapt-Mix: learning local genetic correlation structure improves summary statistics-based analyses

PubMed Central

Park, Danny S.; Brown, Brielin; Eng, Celeste; Huntsman, Scott; Hu, Donglei; Torgerson, Dara G.; Burchard, Esteban G.; Zaitlen, Noah

2015-01-01

Motivation: Approaches to identifying new risk loci, training risk prediction models, imputing untyped variants and fine-mapping causal variants from summary statistics of genome-wide association studies are playing an increasingly important role in the human genetics community. Current summary statistics-based methods rely on global ‘best guess’ reference panels to model the genetic correlation structure of the dataset being studied. This approach, especially in admixed populations, has the potential to produce misleading results, ignores variation in local structure and is not feasible when appropriate reference panels are missing or small. Here, we develop a method, Adapt-Mix, that combines information across all available reference panels to produce estimates of local genetic correlation structure for summary statistics-based methods in arbitrary populations. Results: We applied Adapt-Mix to estimate the genetic correlation structure of both admixed and non-admixed individuals using simulated and real data. We evaluated our method by measuring the performance of two summary statistics-based methods: imputation and joint-testing. When using our method as opposed to the current standard of ‘best guess’ reference panels, we observed a 28% decrease in mean-squared error for imputation and a 73.7% decrease in mean-squared error for joint-testing. Availability and implementation: Our method is publicly available in a software package called ADAPT-Mix available at https://github.com/dpark27/adapt_mix. Contact: noah.zaitlen@ucsf.edu PMID:26072481

Mineralogical and chemical characterization of iron-, manganese-, and copper-containing synthetic hydroxyapatites.

PubMed

Sutter, B; Ming, D W; Clearfield, A; Hossner, L R

2003-01-01

The National Aeronautics and Space Administration's (NASA) Advanced Life Support (ALS) Program is evaluating the use of Fe-, Mn-, and Cu-containing synthetic hydroxyapatite (SHA) as a slow release fertilizer for crops that might be grown on the International Space Station or at Lunar and Martian outposts. Separate Fe-, Mn-, and Cu-containing SHA materials along with a transition-metal free SHA (pure-SHA) were synthesized using a precipitation method. Chemical and mineralogical analyses determined if and how Fe, Mn, and Cu were incorporated into the SHA structure. X-ray diffraction (XRD), Rietveld refinement, and transmission electron microscopy (TEM) confirmed that SHA materials with the apatite structure were produced. Chemical analyses indicated that the metal containing SHA materials were deficient in Ca relative to pure-SHA. The shift in the infrared PO4-mu 3 vibrations, smaller unit cell parameters, smaller particle size, and greater structural strain for Fe-, Mn-, and Cu-containing SHA compared with pure-SHA suggested that Fe, Mn, and Cu were incorporated into SHA structure. Rietveld analyses revealed that Fe, Mn, and Cu substituted into the Ca2 site of SHA. An Fe-rich phase was detected by TEM analyses and backscattered electron microscopy in the Fe-containing SHA material with the greatest Fe content. The substitution of metals into SHA suggests that metal-SHA materials are potential slow-release sources of micronutrients for plant uptake in addition to Ca and P.

Mineralogical and chemical characterization of iron-, manganese-, and copper-containing synthetic hydroxyapatites

NASA Technical Reports Server (NTRS)

Sutter, B.; Ming, D. W.; Clearfield, A.; Hossner, L. R.

2003-01-01

The National Aeronautics and Space Administration's (NASA) Advanced Life Support (ALS) Program is evaluating the use of Fe-, Mn-, and Cu-containing synthetic hydroxyapatite (SHA) as a slow release fertilizer for crops that might be grown on the International Space Station or at Lunar and Martian outposts. Separate Fe-, Mn-, and Cu-containing SHA materials along with a transition-metal free SHA (pure-SHA) were synthesized using a precipitation method. Chemical and mineralogical analyses determined if and how Fe, Mn, and Cu were incorporated into the SHA structure. X-ray diffraction (XRD), Rietveld refinement, and transmission electron microscopy (TEM) confirmed that SHA materials with the apatite structure were produced. Chemical analyses indicated that the metal containing SHA materials were deficient in Ca relative to pure-SHA. The shift in the infrared PO4-mu 3 vibrations, smaller unit cell parameters, smaller particle size, and greater structural strain for Fe-, Mn-, and Cu-containing SHA compared with pure-SHA suggested that Fe, Mn, and Cu were incorporated into SHA structure. Rietveld analyses revealed that Fe, Mn, and Cu substituted into the Ca2 site of SHA. An Fe-rich phase was detected by TEM analyses and backscattered electron microscopy in the Fe-containing SHA material with the greatest Fe content. The substitution of metals into SHA suggests that metal-SHA materials are potential slow-release sources of micronutrients for plant uptake in addition to Ca and P.

A Tensor-Based Structural Damage Identification and Severity Assessment

PubMed Central

Anaissi, Ali; Makki Alamdari, Mehrisadat; Rakotoarivelo, Thierry; Khoa, Nguyen Lu Dang

2018-01-01

Early damage detection is critical for a large set of global ageing infrastructure. Structural Health Monitoring systems provide a sensor-based quantitative and objective approach to continuously monitor these structures, as opposed to traditional engineering visual inspection. Analysing these sensed data is one of the major Structural Health Monitoring (SHM) challenges. This paper presents a novel algorithm to detect and assess damage in structures such as bridges. This method applies tensor analysis for data fusion and feature extraction, and further uses one-class support vector machine on this feature to detect anomalies, i.e., structural damage. To evaluate this approach, we collected acceleration data from a sensor-based SHM system, which we deployed on a real bridge and on a laboratory specimen. The results show that our tensor method outperforms a state-of-the-art approach using the wavelet energy spectrum of the measured data. In the specimen case, our approach succeeded in detecting 92.5% of induced damage cases, as opposed to 61.1% for the wavelet-based approach. While our method was applied to bridges, its algorithm and computation can be used on other structures or sensor-data analysis problems, which involve large series of correlated data from multiple sensors. PMID:29301314

Comparative study of I- V methods to extract Au/FePc/p-Si Schottky barrier diode parameters

NASA Astrophysics Data System (ADS)

Oruç, Çiğdem; Altındal, Ahmet

2018-01-01

So far, various methods have been proposed to extract the Schottky diode parameters from measured current-voltage characteristics. In this work, Schottky barrier diode with structure of Au/2(3),9(10),16(17),23(24)-tetra(4-(4-methoxyphenyl)-8-methylcoumarin-7 oxy) phthalocyaninatoiron(II) (FePc)/p-Si was fabricated and current-voltage measurements were carried out on it. In addition, current-voltage measurements were also performed on Au/p-Si structure, without FePc, to clarify the influence of the presence of an interface layer on the device performance. The measured current-voltage characteristics indicate that the interface properties of a Schottky barrier diode can be controlled by the presence of an organic interface layer. It is found that the room temperature barrier height of Au/FePc/p-Si structure is larger than that of the Au/p-Si structure. The obtained forward bias current-voltage characteristics of the Au/FePc/p-Si device was analysed by five different analytical methods. It is found that the extracted values of SBD parameters strongly depends on the method used.

Structural dynamic analysis of the Space Shuttle Main Engine

NASA Technical Reports Server (NTRS)

Scott, L. P.; Jamison, G. T.; Mccutcheon, W. A.; Price, J. M.

1981-01-01

This structural dynamic analysis supports development of the SSME by evaluating components subjected to critical dynamic loads, identifying significant parameters, and evaluating solution methods. Engine operating parameters at both rated and full power levels are considered. Detailed structural dynamic analyses of operationally critical and life limited components support the assessment of engine design modifications and environmental changes. Engine system test results are utilized to verify analytic model simulations. The SSME main chamber injector assembly is an assembly of 600 injector elements which are called LOX posts. The overall LOX post analysis procedure is shown.

Have the temperature time series a structural change after 1998?

NASA Astrophysics Data System (ADS)

Werner, Rolf; Valev, Dimitare; Danov, Dimitar

2012-07-01

The global and hemisphere temperature GISS and Hadcrut3 time series were analysed for structural changes. We postulate the continuity of the preceding temperature function depending from the time. The slopes are calculated for a sequence of segments limited by time thresholds. We used a standard method, the restricted linear regression with dummy variables. We performed the calculations and tests for different number of thresholds. The thresholds are searched continuously in determined time intervals. The F-statistic is used to obtain the time points of the structural changes.

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.

1991-01-01

The general objective of the Light Aerospace Alloy and Structures Technology (LA2ST) Program is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys, composites, and associated thermal gradient structures in close collaboration with Langley researchers. Specific technical objectives are established for each research project. Relevant data and basic understanding of material behavior and microstructure, new monolithic and composite alloys, advanced processing methods, new solid and fluid mechanic analyses, measurement advances, and a pool of educated graduate students are sought.

Detecting hierarchical levels of connectivity in a population of Acacia tortilis at the northern edge of the species' global distribution: Combining classical population genetics and network analyses.

PubMed

Rodger, Yael S; Greenbaum, Gili; Silver, Micha; Bar-David, Shirli; Winters, Gidon

2018-01-01

Genetic diversity and structure of populations at the edge of the species' spatial distribution are important for potential adaptation to environmental changes and consequently, for the long-term survival of the species. Here, we combined classical population genetic methods with newly developed network analyses to gain complementary insights into the genetic structure and diversity of Acacia tortilis, a keystone desert tree, at the northern edge of its global distribution, where the population is under threat from climatic, ecological, and anthropogenic changes. We sampled A. tortilis from 14 sites along the Dead Sea region and the Arava Valley in Israel and in Jordan. In addition, we obtained samples from Egypt and Sudan, the hypothesized origin of the species. Samples from all sites were genotyped using six polymorphic microsatellite loci.Our results indicate a significant genetic structure in A. tortilis along the Arava Valley. This was detected at different hierarchical levels-from the basic unit of the subpopulation, corresponding to groups of trees within ephemeral rivers (wadis), to groups of subpopulations (communities) that are genetically more connected relative to others. The latter structure mostly corresponds to the partition of the major drainage basins in the area. Network analyses, combined with classical methods, allowed for the identification of key A. tortilis subpopulations in this region, characterized by their relatively high level of genetic diversity and centrality in maintaining gene flow in the population. Characterizing such key subpopulations may enable conservation managers to focus their efforts on certain subpopulations that might be particularly important for the population's long-term persistence, thus contributing to species conservation within its peripheral range.

Seismic response and damage detection analyses of an instrumented steel moment-framed building

USGS Publications Warehouse

Rodgers, J.E.; Celebi, M.

2006-01-01

The seismic performance of steel moment-framed buildings has been of particular interest since brittle fractures were discovered at the beam-column connections in a number of buildings following the M 6.7 Northridge earthquake of January 17, 1994. A case study of the seismic behavior of an extensively instrumented 13-story steel moment frame building located in the greater Los Angeles area of California is described herein. Response studies using frequency domain, joint time-frequency, system identification, and simple damage detection analyses are performed using an extensive strong motion dataset dating from 1971 to the present, supported by engineering drawings and results of postearthquake inspections. These studies show that the building's response is more complex than would be expected from its highly symmetrical geometry. The response is characterized by low damping in the fundamental mode, larger accelerations in the middle and lower stories than at the roof and base, extended periods of vibration after the cessation of strong input shaking, beating in the response, elliptical particle motion, and significant torsion during strong shaking at the top of the concrete piers which extend from the basement to the second floor. The analyses conducted indicate that the response of the structure was elastic in all recorded earthquakes to date, including Northridge. Also, several simple damage detection methods employed did not indicate any structural damage or connection fractures. The combination of a large, real structure and low instrumentation density precluded the application of many recently proposed advanced damage detection methods in this case study. Overall, however, the findings of this study are consistent with the limited code-compliant postearthquake intrusive inspections conducted after the Northridge earthquake, which found no connection fractures or other structural damage. ?? ASCE.

Earthquake response of heavily damaged historical masonry mosques after restoration

NASA Astrophysics Data System (ADS)

Altunışık, Ahmet Can; Fuat Genç, Ali

2017-10-01

Restoration works have been accelerated substantially in Turkey in the last decade. Many historical buildings, mosques, minaret, bridges, towers and structures have been restored. With these restorations an important issue arises, namely how restoration work affects the structure. For this reason, we aimed to investigate the restoration effect on the earthquake response of a historical masonry mosque considering the openings on the masonry dome. For this purpose, we used the Hüsrev Pasha Mosque, which is located in the Ortakapı district in the old city of Van, Turkey. The region of Van is in an active seismic zone; therefore, earthquake analyses were performed in this study. Firstly a finite element model of the mosque was constructed considering the restoration drawings and 16 window openings on the dome. Then model was constructed with eight window openings. Structural analyses were performed under dead load and earthquake load, and the mode superposition method was used in analyses. Maximum displacements, maximum-minimum principal stresses and shear stresses are given with contours diagrams. The results are analyzed according to Turkish Earthquake Code (TEC, 2007) and compared between 8 and 16 window openings cases. The results show that reduction of the window openings affected the structural behavior of the mosque positively.

Application of Sub-Bottom Profiler to Study Riverbed Structure and Sediment Density

NASA Astrophysics Data System (ADS)

Rui, Wang; Changzheng, Li; Xiaofei, Yan

2018-03-01

In this pater, we present a study on the riverbed structure and sediment density in-situ test by using sub-bottom profiler. Compared with traditional direct observation methods, the sub-bottom profiler method based on sonar technology is non-contact, low-disturbance and high-efficient. We finish the investigation of several sections in Sanmenxia and Xiaolangdi reservoirs, which located on the main channel of lower reaches of Yellow River. Collected data show a detailed layered structure of the riverbed sediment which believed caused by sedimentary processes in different periods. Further more, we analyse the reflection coefficient of water-sediment interface and inverse the sediment density data from the raw wave record. The inversion method is based on the effective density fluid model and Kozeny-Carman formula. The comparison of the inversion results and sample tests shows that the in-situ test is reliable and useable.

X-ray diffraction studies of enkephalins. Crystal structure of [(4'-bromo) Phe4,Leu5]enkephalin.

PubMed Central

Ishida, T; Kenmotsu, M; Mino, Y; Inoue, M; Fujiwara, T; Tomita, K; Kimura, T; Sakakibara, S

1984-01-01

In order to investigate the structure-activity relationship of [Leu5]- and [Met5]enkephalins, [(4'-bromo)Phe4, Leu5]-, [(4'-bromo)Phe4, Met5]- and [Met5] enkephalins were synthesized and crystallized. The crystal structure of [(4'-bromo) Phe4, Leu5]- enkephalin was determined by X-ray diffraction method using the heavy atom method and refined to R = 0.092 by the least-squares method. The molecule in this crystal took essentially the same type I' beta-turn conformation found in [Leu5]enkephalin [Smith & Griffin (1978) Science 199, 1214-1216). On the other hand, the preliminary three-dimensional Patterson analyses showed that the most probable conformations of [(4'-bromo)Phe4,Met5]- and [Met5]enkephalins are both the dimeric extended forms. Based on these insights, the biologically active conformation of enkephalin was discussed in relation to the mu- and delta-receptors. PMID:6721829

On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges.

PubMed

Marques, J M C; Pais, A A C C; Abreu, P E

2012-02-05

The efficiency of the so-called big-bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges; here, we have used Morse potentials with four different ranges, from long- ρ = 3) to short-ranged ρ = 14) interactions. Specifically, we study the efficacy of the method in discovering low-energy structures, including the putative global minimum, as a function of the potential range and the cluster size. A new global minimum structure for long-ranged ρ = 3) Morse potential at the cluster size of n= 240 is reported. The present results are useful to assess the maximum cluster size for each type of interaction where the global minimum can be discovered with a limited number of big-bang trials. Copyright © 2011 Wiley Periodicals, Inc.

Lather (Interior Systems Mechanic). Occupational Analyses Series.

ERIC Educational Resources Information Center

Chapman, Mike; Chapman, Carol; MacLean, Margaret

This analysis covers tasks performed by a lather, an occupational title some provinces and territories of Canada have also identified as drywall and acoustical mechanic; interior systems installer; and interior systems mechanic. A guide to analysis discusses development, structure, and validation method; scope of the occupation; trends; and…

Constrained Principal Component Analysis: Various Applications.

ERIC Educational Resources Information Center

Hunter, Michael; Takane, Yoshio

2002-01-01

Provides example applications of constrained principal component analysis (CPCA) that illustrate the method on a variety of contexts common to psychological research. Two new analyses, decompositions into finer components and fitting higher order structures, are presented, followed by an illustration of CPCA on contingency tables and the CPCA of…

Molecular diversity of drinking water bacterial communities using 16S rRNA gene sequence analyses

EPA Science Inventory

Our understanding of the microbial community structure of drinking water distribution system has relied on culture-based methods. However, recent studies have suggested that the majority of bacteria inhabiting distribution systems are unable to grow on artificial media. The goal ...

Bricklayer. Occupational Analyses Series.

ERIC Educational Resources Information Center

Cap, Orest; Cap, Ihor; Semenovych, Viktor

This analysis covers tasks performed by a bricklayer, an occupational title some provinces and territories of Canada have also identified as bricklayer-mason, brick and stone mason, and mason. A guide to analysis discusses development, structure, and validation method; scope of the occupation; trends; and safety. To facilitate understanding the…

Ab initio RNA folding by discrete molecular dynamics: From structure prediction to folding mechanisms

PubMed Central

Ding, Feng; Sharma, Shantanu; Chalasani, Poornima; Demidov, Vadim V.; Broude, Natalia E.; Dokholyan, Nikolay V.

2008-01-01

RNA molecules with novel functions have revived interest in the accurate prediction of RNA three-dimensional (3D) structure and folding dynamics. However, existing methods are inefficient in automated 3D structure prediction. Here, we report a robust computational approach for rapid folding of RNA molecules. We develop a simplified RNA model for discrete molecular dynamics (DMD) simulations, incorporating base-pairing and base-stacking interactions. We demonstrate correct folding of 150 structurally diverse RNA sequences. The majority of DMD-predicted 3D structures have <4 Å deviations from experimental structures. The secondary structures corresponding to the predicted 3D structures consist of 94% native base-pair interactions. Folding thermodynamics and kinetics of tRNAPhe, pseudoknots, and mRNA fragments in DMD simulations are in agreement with previous experimental findings. Folding of RNA molecules features transient, non-native conformations, suggesting non-hierarchical RNA folding. Our method allows rapid conformational sampling of RNA folding, with computational time increasing linearly with RNA length. We envision this approach as a promising tool for RNA structural and functional analyses. PMID:18456842

Polish adaptation of three self-report measures of job stressors: the Interpersonal Conflict at Work Scale, the Quantitative Workload Inventory and the Organizational Constraints Scale

PubMed Central

Baka, Łukasz; Bazińska, Róża

2016-01-01

Aim. The objective of the present study was to test the psychometric properties, reliability and validity of three job stressor measures, namely, the Interpersonal Conflict at Work Scale, the Organizational Constraints Scale and the Quantitative Workload Inventory. Method. The study was conducted on two samples (N = 382 and 3368) representing a wide range of occupations. The estimation of internal consistency with Cronbach's α and the test–retest method as well as both exploratory and confirmatory factor analyses were the main statistical methods. Results. The internal consistency of the scales proved satisfactory, ranging from 0.80 to 0.90 for Cronbach's α test and from 0.72 to 0.86 for the test–retest method. The one-dimensional structure of the three measurements was confirmed. The three scales have acceptable fit to the data. The one-factor structures and other psychometric properties of the Polish version of the scales seem to be similar to those found in the US version of the scales. It was also proved that the three job stressors are positively related to all the job strain measures. Conclusions. The Polish versions of the three analysed scales can be used to measure the job stressors in Polish conditions. PMID:26652317

Inferring animal social networks and leadership: applications for passive monitoring arrays.

PubMed

Jacoby, David M P; Papastamatiou, Yannis P; Freeman, Robin

2016-11-01

Analyses of animal social networks have frequently benefited from techniques derived from other disciplines. Recently, machine learning algorithms have been adopted to infer social associations from time-series data gathered using remote, telemetry systems situated at provisioning sites. We adapt and modify existing inference methods to reveal the underlying social structure of wide-ranging marine predators moving through spatial arrays of passive acoustic receivers. From six months of tracking data for grey reef sharks (Carcharhinus amblyrhynchos) at Palmyra atoll in the Pacific Ocean, we demonstrate that some individuals emerge as leaders within the population and that this behavioural coordination is predicted by both sex and the duration of co-occurrences between conspecifics. In doing so, we provide the first evidence of long-term, spatially extensive social processes in wild sharks. To achieve these results, we interrogate simulated and real tracking data with the explicit purpose of drawing attention to the key considerations in the use and interpretation of inference methods and their impact on resultant social structure. We provide a modified translation of the GMMEvents method for R, including new analyses quantifying the directionality and duration of social events with the aim of encouraging the careful use of these methods more widely in less tractable social animal systems but where passive telemetry is already widespread. © 2016 The Authors.

Inferring animal social networks and leadership: applications for passive monitoring arrays

PubMed Central

Papastamatiou, Yannis P.; Freeman, Robin

2016-01-01

Analyses of animal social networks have frequently benefited from techniques derived from other disciplines. Recently, machine learning algorithms have been adopted to infer social associations from time-series data gathered using remote, telemetry systems situated at provisioning sites. We adapt and modify existing inference methods to reveal the underlying social structure of wide-ranging marine predators moving through spatial arrays of passive acoustic receivers. From six months of tracking data for grey reef sharks (Carcharhinus amblyrhynchos) at Palmyra atoll in the Pacific Ocean, we demonstrate that some individuals emerge as leaders within the population and that this behavioural coordination is predicted by both sex and the duration of co-occurrences between conspecifics. In doing so, we provide the first evidence of long-term, spatially extensive social processes in wild sharks. To achieve these results, we interrogate simulated and real tracking data with the explicit purpose of drawing attention to the key considerations in the use and interpretation of inference methods and their impact on resultant social structure. We provide a modified translation of the GMMEvents method for R, including new analyses quantifying the directionality and duration of social events with the aim of encouraging the careful use of these methods more widely in less tractable social animal systems but where passive telemetry is already widespread. PMID:27881803

Effects of autoclaving and high pressure on allergenicity of hazelnut proteins

PubMed Central

2012-01-01

Background Hazelnut is reported as a causative agent of allergic reactions. However it is also an edible nut with health benefits. The allergenic characteristics of hazelnut-samples after autoclaving (AC) and high-pressure (HHP) processing have been studied and are also presented here. Previous studies demonstrated that AC treatments were responsible for structural transformation of protein structure motifs. Thus, structural analyses of allergen proteins from hazelnut were carried out to observe what is occurring in relation to the specific-IgE recognition of the related allergenic proteins. The aims of this work are to evaluate the effect of AC and HHP processing on hazelnut in vitro allergenicity using human-sera and to analyse the complexity of hazelnut allergen-protein structures. Methods Hazelnut-samples were subjected to AC and HHP processing. The specific IgE- reactivity was studied in 15 allergic clinic-patients via western blotting analyses. A series of homology-based-bioinformatics 3D-models (Cora 1, Cora 8, Cora 9 and Cora 11) were generated for the antigens included in the study to analyse the co mplexity of their protein structure. This study is supported by the Declaration of Helsinki and subsequent ethical guidelines. Results A severe reduction in vitro in allergenicity to hazelnut after AC processing was observed in the allergic clinic-patients studied. The specific-IgE binding of some of the described immunoreactive hazelnut protein-bands: Cora 1 ~18KDa, Cora 8 ~9KDa, Cora 9 ~35-40KDa and Cora 11 ~47-48 KDa decreases. Furthermore a relevant glycosylation was assigned and visualized via structural analysis of proteins (3D-modelling) for the first time in the protein-allergen Cora 11 showing a new role which could open a new door for allergenicity-unravellings. Conclusion Hazelnut allergenicity-studies in vivo via Prick-Prick and other means using AC processing are crucial to verify the data we observed via in vitro analyses. Glycosylation studies provided us with clues to elucidate, in the near future, mechanisms of the structures that contribute to hazelnut allergenicity, which thus, in turn, help alleviate food allergens. PMID:22616776

Methodes de calcul des forces aerodynamiques pour les etudes des interactions aeroservoelastiques

NASA Astrophysics Data System (ADS)

Biskri, Djallel Eddine

L'aeroservoelasticite est un domaine ou interagissent la structure flexible d'un avion, l'aerodynamique et la commande de vol. De son cote, la commande du vol considere l'avion comme une structure rigide et etudie l'influence du systeme de commande sur la dynamique de vol. Dans cette these, nous avons code trois nouvelles methodes d'approximation de forces aerodynamiques: Moindres carres corriges, Etat minimal corrige et Etats combines. Dans les deux premieres methodes, les erreurs d'approximation entre les forces aerodynamiques approximees par les methodes classiques et celles obtenues par les nouvelles methodes ont les memes formes analytiques que celles des forces aerodynamiques calculees par LS ou MS. Quant a la troisieme methode, celle-ci combine les formulations des forces approximees avec les methodes standards LS et MS. Les vitesses et frequences de battement et les temps d'executions calcules par les nouvelles methodes versus ceux calcules par les methodes classiques ont ete analyses.

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

NASA Technical Reports Server (NTRS)

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

1985-01-01

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

Analysis of genetic population structure in Acacia caven (Leguminosae, Mimosoideae), comparing one exploratory and two Bayesian-model-based methods.

PubMed

Pometti, Carolina L; Bessega, Cecilia F; Saidman, Beatriz O; Vilardi, Juan C

2014-03-01

Bayesian clustering as implemented in STRUCTURE or GENELAND software is widely used to form genetic groups of populations or individuals. On the other hand, in order to satisfy the need for less computer-intensive approaches, multivariate analyses are specifically devoted to extracting information from large datasets. In this paper, we report the use of a dataset of AFLP markers belonging to 15 sampling sites of Acacia caven for studying the genetic structure and comparing the consistency of three methods: STRUCTURE, GENELAND and DAPC. Of these methods, DAPC was the fastest one and showed accuracy in inferring the K number of populations (K = 12 using the find.clusters option and K = 15 with a priori information of populations). GENELAND in turn, provides information on the area of membership probabilities for individuals or populations in the space, when coordinates are specified (K = 12). STRUCTURE also inferred the number of K populations and the membership probabilities of individuals based on ancestry, presenting the result K = 11 without prior information of populations and K = 15 using the LOCPRIOR option. Finally, in this work all three methods showed high consistency in estimating the population structure, inferring similar numbers of populations and the membership probabilities of individuals to each group, with a high correlation between each other.

A simplified method of evaluating the stress wave environment of internal equipment

NASA Technical Reports Server (NTRS)

Colton, J. D.; Desmond, T. P.

1979-01-01

A simplified method called the transfer function technique (TFT) was devised for evaluating the stress wave environment in a structure containing internal equipment. The TFT consists of following the initial in-plane stress wave that propagates through a structure subjected to a dynamic load and characterizing how the wave is altered as it is transmitted through intersections of structural members. As a basis for evaluating the TFT, impact experiments and detailed stress wave analyses were performed for structures with two or three, or more members. Transfer functions that relate the wave transmitted through an intersection to the incident wave were deduced from the predicted wave response. By sequentially applying these transfer functions to a structure with several intersections, it was found that the environment produced by the initial stress wave propagating through the structure can be approximated well. The TFT can be used as a design tool or as an analytical tool to determine whether a more detailed wave analysis is warranted.

The effects of pressure dependent constitutive model to simulate concrete structures failure under impact loads

NASA Astrophysics Data System (ADS)

Mokhatar, S. N.; Sonoda, Y.; Kamarudin, A. F.; Noh, M. S. Md; Tokumaru, S.

2018-04-01

The main objective of this paper is to explore the effect of confining pressure in the compression and tension zone by simulating the behaviour of reinforced concrete/mortar structures subjected to the impact load. The analysis comprises the numerical simulation of the influences of high mass low speed impact weight dropping on concrete structures, where the analyses are incorporated with meshless method namely as Smoothed Particle Hydrodynamics (SPH) method. The derivation of the plastic stiffness matrix of Drucker-Prager (DP) that extended from Von-Mises (VM) yield criteria to simulate the concrete behaviour were presented in this paper. In which, the displacements for concrete/mortar structures are assumed to be infinitesimal. Furthermore, the influence of the different material model of DP and VM that used numerically for concrete and mortar structures are also discussed. Validation upon existing experimental test results is carried out to investigate the effect of confining pressure, it is found that VM criterion causes unreal impact failure (flexural cracking) of concrete structures.

Method for Estimating Operational Loads on Aerospace Structures Using Span-Wisely Distributed Surface Strains

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2013-01-01

This report presents a new method for estimating operational loads (bending moments, shear loads, and torques) acting on slender aerospace structures using distributed surface strains (unidirectional strains). The surface strain-sensing stations are to be evenly distributed along each span-wise strain-sensing line. A depth-wise cross section of the structure along each strain-sensing line can then be considered as an imaginary embedded beam. The embedded beam was first evenly divided into multiple small domains with domain junctures matching the strain-sensing stations. The new method is comprised of two steps. The first step is to determine the structure stiffness (bending or torsion) using surface strains obtained from a simple bending (or torsion) loading case, for which the applied bending moment (or torque) is known. The second step is to use the strain-determined structural stiffness (bending or torsion), and a new set of surface strains induced by any other loading case to calculate the associated operational loads (bending moments, shear loads, or torques). Performance of the new method for estimating operational loads was studied in light of finite-element analyses of several example structures subjected to different loading conditions. The new method for estimating operational loads was found to be fairly accurate, and is very promising for applications to the flight load monitoring of flying vehicles with slender wings.

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The methodology used to implement structural sensitivity calculations into a major, general-purpose finite-element analysis system (SPAR) is described. This implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calculating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of SPAR are also discussed.

Evaluation of experimental methods for determining dynamic stiffness and damping of composite materials

NASA Technical Reports Server (NTRS)

Bert, C. W.; Clary, R. R.

1974-01-01

Various methods potentially usable for determining dynamic stiffness and damping of composite materials are reviewed. Of these, the following most widely used techniques are singled out for more detailed discussion: free vibration, pulse propagation, and forced vibration response. To illustrate the usefulness and validity of dynamic property data, their application in dynamic analyses and comparison with measured structural response are described for the following composite-material structures: free-free sandwich beam with glass-epoxy facings, clamped-edge sandwich plate with similar facings, free-end sandwich conical shell with similar facings, and boron-epoxy free plate with layers arranged at various orientations.

Bile acids: analysis in biological fluids and tissues

PubMed Central

Griffiths, William J.; Sjövall, Jan

2010-01-01

The formation of bile acids/bile alcohols is of major importance for the maintenance of cholesterol homeostasis. Besides their functions in lipid absorption, bile acids/bile alcohols are regulatory molecules for a number of metabolic processes. Their effects are structure-dependent, and numerous metabolic conversions result in a complex mixture of biologically active and inactive forms. Advanced methods are required to characterize and quantify individual bile acids in these mixtures. A combination of such analyses with analyses of the proteome will be required for a better understanding of mechanisms of action and nature of endogenous ligands. Mass spectrometry is the basic detection technique for effluents from chromatographic columns. Capillary liquid chromatography-mass spectrometry with electrospray ionization provides the highest sensitivity in metabolome analysis. Classical gas chromatography-mass spectrometry is less sensitive but offers extensive structure-dependent fragmentation increasing the specificity in analyses of isobaric isomers of unconjugated bile acids. Depending on the nature of the bile acid/bile alcohol mixture and the range of concentration of individuals, different sample preparation sequences, from simple extractions to group separations and derivatizations, are applicable. We review the methods currently available for the analysis of bile acids in biological fluids and tissues, with emphasis on the combination of liquid and gas phase chromatography with mass spectrometry. PMID:20008121

kWIP: The k-mer weighted inner product, a de novo estimator of genetic similarity.

PubMed

Murray, Kevin D; Webers, Christfried; Ong, Cheng Soon; Borevitz, Justin; Warthmann, Norman

2017-09-01

Modern genomics techniques generate overwhelming quantities of data. Extracting population genetic variation demands computationally efficient methods to determine genetic relatedness between individuals (or "samples") in an unbiased manner, preferably de novo. Rapid estimation of genetic relatedness directly from sequencing data has the potential to overcome reference genome bias, and to verify that individuals belong to the correct genetic lineage before conclusions are drawn using mislabelled, or misidentified samples. We present the k-mer Weighted Inner Product (kWIP), an assembly-, and alignment-free estimator of genetic similarity. kWIP combines a probabilistic data structure with a novel metric, the weighted inner product (WIP), to efficiently calculate pairwise similarity between sequencing runs from their k-mer counts. It produces a distance matrix, which can then be further analysed and visualised. Our method does not require prior knowledge of the underlying genomes and applications include establishing sample identity and detecting mix-up, non-obvious genomic variation, and population structure. We show that kWIP can reconstruct the true relatedness between samples from simulated populations. By re-analysing several published datasets we show that our results are consistent with marker-based analyses. kWIP is written in C++, licensed under the GNU GPL, and is available from https://github.com/kdmurray91/kwip.

Using the gene ontology to scan multilevel gene sets for associations in genome wide association studies.

PubMed

Schaid, Daniel J; Sinnwell, Jason P; Jenkins, Gregory D; McDonnell, Shannon K; Ingle, James N; Kubo, Michiaki; Goss, Paul E; Costantino, Joseph P; Wickerham, D Lawrence; Weinshilboum, Richard M

2012-01-01

Gene-set analyses have been widely used in gene expression studies, and some of the developed methods have been extended to genome wide association studies (GWAS). Yet, complications due to linkage disequilibrium (LD) among single nucleotide polymorphisms (SNPs), and variable numbers of SNPs per gene and genes per gene-set, have plagued current approaches, often leading to ad hoc "fixes." To overcome some of the current limitations, we developed a general approach to scan GWAS SNP data for both gene-level and gene-set analyses, building on score statistics for generalized linear models, and taking advantage of the directed acyclic graph structure of the gene ontology when creating gene-sets. However, other types of gene-set structures can be used, such as the popular Kyoto Encyclopedia of Genes and Genomes (KEGG). Our approach combines SNPs into genes, and genes into gene-sets, but assures that positive and negative effects of genes on a trait do not cancel. To control for multiple testing of many gene-sets, we use an efficient computational strategy that accounts for LD and provides accurate step-down adjusted P-values for each gene-set. Application of our methods to two different GWAS provide guidance on the potential strengths and weaknesses of our proposed gene-set analyses. © 2011 Wiley Periodicals, Inc.

Exploring structures of the Rochefort Cave (Belgium) with 3D models from LIDAR scans and UAV photoscans.

NASA Astrophysics Data System (ADS)

Watlet, A.; Triantafyllou, A.; Kaufmann, O.; Le Mouelic, S.

2016-12-01

Amongst today's techniques that are able to produce 3D point clouds, LIDAR and UAV (Unmanned Aerial Vehicle) photogrammetry are probably the most commonly used. Both methods have their own advantages and limitations. LIDAR scans create high resolution and high precision 3D point clouds, but such methods are generally costly, especially for sporadic surveys. Compared to LIDAR, UAV (e.g. drones) are cheap and flexible to use in different types of environments. Moreover, the photogrammetric processing workflow of digital images taken with UAV becomes easier with the rise of many affordable software packages (e.g., Agisoft PhotoScan, MicMac, VisualSFM). In this canvas, we present a challenging study made at the Rochefort Cave Laboratory (South Belgium) comprising surface and underground surveys. The main chamber of the cave ( 10000 m³) was the principal target of the study. A LIDAR scan and an UAV photoscan were acquired underground, producing respective 3D models. An additional 3D photoscan was performed at the surface, in the sinkhole in direct connection with the main chamber. The main goal of the project is to combine this different datasets for quantifying the orientation of inaccessible geological structures (e.g. faults, tectonic and gravitational joints, and sediments bedding), and for comparing them to structural data surveyed on the field. To go through structural interpretations, we used a subsampling method merging neighboured model polygons that have similar orientations, allowing statistical analyses of polygons spatial distribution. The benefit of this method is to verify the spatial continuity of in-situ structural measurements to larger scale. Roughness and colorimetric/spectral analyses may also be of great interest for several geosciences purposes by discriminating different facies among the geological beddings. Amongst others, this study was helpful to precise the local petrophysical properties associated with particular geological layers, what improved interpreting results from an ERT monitoring of the karst hydrological processes in terms of groundwater content.

Factor structure and individual patterns of DSM-IV conduct disorder criteria in adolescent psychiatric inpatients.

PubMed

Janson, Harald; Kjelsberg, Ellen

2006-01-01

We investigated the factor structure of the DSM-IV conduct disorder (CD) diagnostic criteria and typical individual patterns of CD subscales in an adolescent inpatient population using detailed hospital records of a Norwegian nationwide sample of 1087 adolescent psychiatric inpatients scored for the 15 DSM-IV CD criteria. Varimax rotated principal components and full-information factor analyses of 12 CD criteria were carried out separately for boys and girls employing two methods. Standardized values on three subscales of CD criteria were subjected to Ward's method of hierarchical cluster analyses followed by k-means relocation employing a double cross-replication design. Similar factor structures emerged regardless of factoring method and gender. With the exception of Criteria 8 ("Fire setting") and 14 ("Run away from home") the factor loadings for both genders were in accordance with Loeber's tripartite model, with Aggression, Delinquency, and Rule Breaking factors largely corresponding to Loeber's overt, covert and authority conflict pathways. A five-cluster solution proved highly replicable and interpretable. One cluster gathered adolescents without CD, and the remaining four described groups with different conceptually meaningful constellations of CD criteria, which were not equally prevalent in each gender. Delinquency appeared in all symptomatic clusters. The cluster analytic results highlighted typical forms of expressions of conduct problems, and the fact that these forms may not be equally prevalent in girls and boys even while the underlying structure of conduct problems may be similar across genders. Future research should address the prediction of specific outcomes from CD criteria subscales or constellations.

ODE constrained mixture modelling: a method for unraveling subpopulation structures and dynamics.

PubMed

Hasenauer, Jan; Hasenauer, Christine; Hucho, Tim; Theis, Fabian J

2014-07-01

Functional cell-to-cell variability is ubiquitous in multicellular organisms as well as bacterial populations. Even genetically identical cells of the same cell type can respond differently to identical stimuli. Methods have been developed to analyse heterogeneous populations, e.g., mixture models and stochastic population models. The available methods are, however, either incapable of simultaneously analysing different experimental conditions or are computationally demanding and difficult to apply. Furthermore, they do not account for biological information available in the literature. To overcome disadvantages of existing methods, we combine mixture models and ordinary differential equation (ODE) models. The ODE models provide a mechanistic description of the underlying processes while mixture models provide an easy way to capture variability. In a simulation study, we show that the class of ODE constrained mixture models can unravel the subpopulation structure and determine the sources of cell-to-cell variability. In addition, the method provides reliable estimates for kinetic rates and subpopulation characteristics. We use ODE constrained mixture modelling to study NGF-induced Erk1/2 phosphorylation in primary sensory neurones, a process relevant in inflammatory and neuropathic pain. We propose a mechanistic pathway model for this process and reconstructed static and dynamical subpopulation characteristics across experimental conditions. We validate the model predictions experimentally, which verifies the capabilities of ODE constrained mixture models. These results illustrate that ODE constrained mixture models can reveal novel mechanistic insights and possess a high sensitivity.

IFPTarget: A Customized Virtual Target Identification Method Based on Protein-Ligand Interaction Fingerprinting Analyses.

PubMed

Li, Guo-Bo; Yu, Zhu-Jun; Liu, Sha; Huang, Lu-Yi; Yang, Ling-Ling; Lohans, Christopher T; Yang, Sheng-Yong

2017-07-24

Small-molecule target identification is an important and challenging task for chemical biology and drug discovery. Structure-based virtual target identification has been widely used, which infers and prioritizes potential protein targets for the molecule of interest (MOI) principally via a scoring function. However, current "universal" scoring functions may not always accurately identify targets to which the MOI binds from the retrieved target database, in part due to a lack of consideration of the important binding features for an individual target. Here, we present IFPTarget, a customized virtual target identification method, which uses an interaction fingerprinting (IFP) method for target-specific interaction analyses and a comprehensive index (Cvalue) for target ranking. Evaluation results indicate that the IFP method enables substantially improved binding pose prediction, and Cvalue has an excellent performance in target ranking for the test set. When applied to screen against our established target library that contains 11,863 protein structures covering 2842 unique targets, IFPTarget could retrieve known targets within the top-ranked list and identified new potential targets for chemically diverse drugs. IFPTarget prediction led to the identification of the metallo-β-lactamase VIM-2 as a target for quercetin as validated by enzymatic inhibition assays. This study provides a new in silico target identification tool and will aid future efforts to develop new target-customized methods for target identification.

An overview of longitudinal data analysis methods for neurological research.

PubMed

Locascio, Joseph J; Atri, Alireza

2011-01-01

The purpose of this article is to provide a concise, broad and readily accessible overview of longitudinal data analysis methods, aimed to be a practical guide for clinical investigators in neurology. In general, we advise that older, traditional methods, including (1) simple regression of the dependent variable on a time measure, (2) analyzing a single summary subject level number that indexes changes for each subject and (3) a general linear model approach with a fixed-subject effect, should be reserved for quick, simple or preliminary analyses. We advocate the general use of mixed-random and fixed-effect regression models for analyses of most longitudinal clinical studies. Under restrictive situations or to provide validation, we recommend: (1) repeated-measure analysis of covariance (ANCOVA), (2) ANCOVA for two time points, (3) generalized estimating equations and (4) latent growth curve/structural equation models.

Scale of association: hierarchical linear models and the measurement of ecological systems

Treesearch

Sean M. McMahon; Jeffrey M. Diez

2007-01-01

A fundamental challenge to understanding patterns in ecological systems lies in employing methods that can analyse, test and draw inference from measured associations between variables across scales. Hierarchical linear models (HLM) use advanced estimation algorithms to measure regression relationships and variance-covariance parameters in hierarchically structured...

Toward a More Explicit Doctoral Pedagogy

ERIC Educational Resources Information Center

Garrett, Pamela S.

2012-01-01

The purpose of this mixed-methods study was to understand the key constructs and processes underlying the mentoring relationships between doctoral students and their mentors. First, exploratory and confirmatory factor analyses were used to evaluate the measurement structure underlying the 34-item Ideal Mentor Scale (IMS; Rose, 2003), followed by…

Perceptions of Physical Activity by Older Adults: A Qualitative Study

ERIC Educational Resources Information Center

Jancey, Jonine M.; Clarke, Ann; Howat, Peter; Maycock, Bruce; Lee, Andy H.

2009-01-01

Objective: To identify issues and perceptions concerning physical activity in older adults. Design: Qualitative study. Setting: Perth, Western Australia. Methods: Sixteen adults aged 65 to 74 years were interviewed in their own homes using a semi-structured interview schedule. Data were analysed using a descriptive qualitative methodology.…

Insulator (Heat and Frost). Occupational Analyses Series.

ERIC Educational Resources Information Center

McRory, Aline; Ally, Mohamed

This analysis covers tasks performed by an insulator, an occupational title some provinces and territories of Canada have also identified as heat and frost insulator. A guide to analysis discusses development, structure, and validation method; scope of the occupation; trends; and safety. To facilitate understanding the nature of the occupation,…

Aggregating Data for Computational Toxicology Applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System

EPA Science Inventory

Computational toxicology combines data from high-throughput test methods, chemical structure analyses and other biological domains (e.g., genes, proteins, cells, tissues) with the goals of predicting and understanding the underlying mechanistic causes of chemical toxicity and for...

Using Educational Tourism in Geographical Education

ERIC Educational Resources Information Center

Prakapiene, Dalia; Olberkyte, Loreta

2013-01-01

The article analyses and defines the concept of educational tourism, presents the structure of the concept and looks into the opportunities for using educational tourism in geographical education. In order to reveal such opportunities a research was carried out in the Lithuanian national and regional parks using the qualitative method of content…

Learning Opportunities for Group Learning

ERIC Educational Resources Information Center

Gil, Alfonso J.; Mataveli, Mara

2017-01-01

Purpose: This paper aims to analyse the impact of organizational learning culture and learning facilitators in group learning. Design/methodology/approach: This study was conducted using a survey method applied to a statistically representative sample of employees from Rioja wine companies in Spain. A model was tested using a structural equation…

Validity and Reliability of the Teamwork Scale for Youth

ERIC Educational Resources Information Center

Lower, Leeann M.; Newman, Tarkington J.; Anderson-Butcher, Dawn

2017-01-01

Purpose: This study examines the psychometric properties of the Teamwork Scale for Youth, an assessment designed to measure youths' perceptions of their teamwork competency. Methods: The Teamwork Scale for Youth was administered to a sample of 460 youths. Confirmatory factor analyses examined the factor structure and measurement invariance of the…

The community structure of endophytic bacteria in different parts of Huanglongbing-affected citrus plants

USDA-ARS?s Scientific Manuscript database

The analyses methods of Pearson correlation coefficient (PCC), hierarchical cluster analysis and diversity index were used to study the relevance between citrus huanglongbing (HLB) and the endophytic bacteria in different branches and leaves as well as roots of huanglongbing (HLB)-affected citrus tr...

Speckle reduction in optical coherence tomography using two-step iteration method (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wang, Xianghong; Liu, Xinyu; Wang, Nanshuo; Yu, Xiaojun; Bo, En; Chen, Si; Liu, Linbo

2017-02-01

Optical coherence tomography (OCT) provides high resolution and cross-sectional images of biological tissue and is widely used for diagnosis of ocular diseases. However, OCT images suffer from speckle noise, which typically considered as multiplicative noise in nature, reducing the image resolution and contrast. In this study, we propose a two-step iteration (TSI) method to suppress those noises. We first utilize augmented Lagrange method to recover a low-rank OCT image and remove additive Gaussian noise, and then employ the simple and efficient split Bregman method to solve the Total-Variation Denoising model. We validated such proposed method using images of swine, rabbit and human retina. Results demonstrate that our TSI method outperforms the other popular methods in achieving higher peak signal-to-noise ratio (PSNR) and structure similarity (SSIM) while preserving important structural details, such as tiny capillaries and thin layers in retinal OCT images. In addition, the results of our TSI method show clearer boundaries and maintains high image contrast, which facilitates better image interpretations and analyses.

Numerical modelling of Mars supersonic disk-gap-band parachute inflation

NASA Astrophysics Data System (ADS)

Gao, Xinglong; Zhang, Qingbin; Tang, Qiangang

2016-06-01

The transient dynamic behaviour of supersonic disk-gap-band parachutes in a Mars entry environment involving fluid structure interactions is studied. Based on the multi-material Arbitrary Lagrange-Euler method, the coupling dynamic model between a viscous compressible fluid and a flexible large deformation structure of the parachute is solved. The inflation performance of a parachute with a fixed forebody under different flow conditions is analysed. The decelerating parameters of the parachute, including drag area, opening loads, and coefficients, are obtained from the supersonic wind tunnel test data from NASA. Meanwhile, the evolution of the three-dimensional shape of the disk-gap-band parachute during supersonic inflation is presented, and the structural dynamic behaviour of the parachute is predicted. Then, the influence of the presence of the capsule on the flow field of the parachute is investigated, and the wake of unsteady fluid and the distribution of shock wave around the supersonic parachute are presented. Finally, the structural dynamic response of the canopy fabric under high-pressure conditions is comparatively analysed. The results show that the disk-gap-band parachute is well inflated without serious collapse. As the Mach numbers increase from 2.0 to 2.5, the drag coefficients gradually decrease, along with a small decrease in inflation time, which corresponds with test results, and proves the validity of the method proposed in this paper.

Energy profile, spectroscopic (FT-IR, FT-Raman and FT-NMR) and DFT studies of 4-bromoisophthalic acid

NASA Astrophysics Data System (ADS)

Arjunan, V.; Thirunarayanan, S.; Mohan, S.

2018-04-01

The stable conformer of 4-bromoisophthalic acid (BIPA) has been identified by potential energy profile analysis. All the structural parameters of 4-bromoisophthalic acid are determined by B3LYP method with 6-311++G**, 6-31G** and cc-pVTZ basis sets. The fundamental vibrations are analysed with the use of FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) spectra. The harmonic vibrational frequencies are theoretically calculated and compared with experimental FTIR and FT-Raman frequencies. The 1H and 13C NMR spectra have been analysed and compared with theoretical 1H and 13C NMR chemical shifts calculated by gauge independent atomic orbital (GIAO) method. The electronic properties, such as HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energies are determined by B3LYP/cc-pVTZ method. The electron density distribution and site of chemical reactivity of BIPA molecule have been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Stability of the molecules arising from hyperconjugative interactions, charge delocalizations have been analysed by using natural bond orbital (NBO) analysis. The thermodynamic properties and atomic natural charges of the compound are analysed and the reactive sites of the molecule are identified. The global and local reactivity descriptors are evaluated to analyse the chemical reactivity and site selectivity of molecule through Fukui functions.

A stochastic multiple imputation algorithm for missing covariate data in tree-structured survival analysis.

PubMed

Wallace, Meredith L; Anderson, Stewart J; Mazumdar, Sati

2010-12-20

Missing covariate data present a challenge to tree-structured methodology due to the fact that a single tree model, as opposed to an estimated parameter value, may be desired for use in a clinical setting. To address this problem, we suggest a multiple imputation algorithm that adds draws of stochastic error to a tree-based single imputation method presented by Conversano and Siciliano (Technical Report, University of Naples, 2003). Unlike previously proposed techniques for accommodating missing covariate data in tree-structured analyses, our methodology allows the modeling of complex and nonlinear covariate structures while still resulting in a single tree model. We perform a simulation study to evaluate our stochastic multiple imputation algorithm when covariate data are missing at random and compare it to other currently used methods. Our algorithm is advantageous for identifying the true underlying covariate structure when complex data and larger percentages of missing covariate observations are present. It is competitive with other current methods with respect to prediction accuracy. To illustrate our algorithm, we create a tree-structured survival model for predicting time to treatment response in older, depressed adults. Copyright © 2010 John Wiley & Sons, Ltd.

Improved accuracy for finite element structural analysis via a new integrated force method

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Hopkins, Dale A.; Aiello, Robert A.; Berke, Laszlo

1992-01-01

A comparative study was carried out to determine the accuracy of finite element analyses based on the stiffness method, a mixed method, and the new integrated force and dual integrated force methods. The numerical results were obtained with the following software: MSC/NASTRAN and ASKA for the stiffness method; an MHOST implementation method for the mixed method; and GIFT for the integrated force methods. The results indicate that on an overall basis, the stiffness and mixed methods present some limitations. The stiffness method generally requires a large number of elements in the model to achieve acceptable accuracy. The MHOST method tends to achieve a higher degree of accuracy for course models than does the stiffness method implemented by MSC/NASTRAN and ASKA. The two integrated force methods, which bestow simultaneous emphasis on stress equilibrium and strain compatibility, yield accurate solutions with fewer elements in a model. The full potential of these new integrated force methods remains largely unexploited, and they hold the promise of spawning new finite element structural analysis tools.

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

PubMed

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

2014-07-28

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

Modeling and Analysis of Structural Dynamics for a One-Tenth Scale Model NGST Sunshield

NASA Technical Reports Server (NTRS)

Johnston, John; Lienard, Sebastien; Brodeur, Steve (Technical Monitor)

2001-01-01

New modeling and analysis techniques have been developed for predicting the dynamic behavior of the Next Generation Space Telescope (NGST) sunshield. The sunshield consists of multiple layers of pretensioned, thin-film membranes supported by deployable booms. Modeling the structural dynamic behavior of the sunshield is a challenging aspect of the problem due to the effects of membrane wrinkling. A finite element model of the sunshield was developed using an approximate engineering approach, the cable network method, to account for membrane wrinkling effects. Ground testing of a one-tenth scale model of the NGST sunshield were carried out to provide data for validating the analytical model. A series of analyses were performed to predict the behavior of the sunshield under the ground test conditions. Modal analyses were performed to predict the frequencies and mode shapes of the test article and transient response analyses were completed to simulate impulse excitation tests. Comparison was made between analytical predictions and test measurements for the dynamic behavior of the sunshield. In general, the results show good agreement with the analytical model correctly predicting the approximate frequency and mode shapes for the significant structural modes.

Europium(III)-doped A2Hf2O7 (A = Y, Gd, Lu) nanoparticles: Influence of annealing temperature, europium(III) concentration and host cation on the luminescent properties

NASA Astrophysics Data System (ADS)

Papan, Jelena; Jovanović, Dragana J.; Vuković, Katarina; Smits, Krisjanis; Đorđević, Vesna; Dramićanin, Miroslav

2016-11-01

The detailed analyses of structure and luminescence of europium(III)-doped A2Hf2O7 (A = Y, Gd, Lu) nanoparticles is presented. Samples were prepared by time and cost effective combustion method that utilize polyethylene glycol both as a chelating agent and as a fuel, with different europium(III) concentrations (from 1 to 12 at.%), annealed at temperatures ranging from 800 to 1400 °C, and with alternating A3+ cation in the A2Hf2O7 host. Then, structural variations between materials were analysed by X-ray diffraction and structural refinement, while the changes in the luminescence were assessed from the Judd-Ofelt analyses of emission spectra. Nanoparticles prepared at the lowest temperature (800 °C) had the smallest particle size of ∼6 nm and showed the highest quantum efficiency when doped with 1 and 2 at.% of europium(III). Radiative transition rate and quantum efficiency of emission showed Lu2Hf2O7 > Gd2Hf2O7 > Y2Hf2O7 trend.

Application of design sensitivity analysis for greater improvement on machine structural dynamics

NASA Technical Reports Server (NTRS)

Yoshimura, Masataka

1987-01-01

Methodologies are presented for greatly improving machine structural dynamics by using design sensitivity analyses and evaluative parameters. First, design sensitivity coefficients and evaluative parameters of structural dynamics are described. Next, the relations between the design sensitivity coefficients and the evaluative parameters are clarified. Then, design improvement procedures of structural dynamics are proposed for the following three cases: (1) addition of elastic structural members, (2) addition of mass elements, and (3) substantial charges of joint design variables. Cases (1) and (2) correspond to the changes of the initial framework or configuration, and (3) corresponds to the alteration of poor initial design variables. Finally, numerical examples are given for demonstrating the availability of the methods proposed.

Statistical analyses of influence of solar and geomagnetic activities on car accident events

NASA Astrophysics Data System (ADS)

Alania, M. V.; Gil, A.; Wieliczuk, R.

2001-01-01

Statistical analyses of the influence of Solar and geomagnetic activity, sector structure of the interplanetary magnetic field and galactic cosmic ray Forbush effects on car accident events in Poland for the period of 1990-1999 have been carried out. Using auto-correlation, cross-correlation, spectral analyses and superposition epochs methods it has been shown that there are separate periods when car accident events have direct correlation with Ap index of the geomagnetic activity, sector structure of the interplanetary magnetic field and Forbush decreases of galactic cosmic rays. Nevertheless, the single-valued direct correlation is not possible to reveal for the whole period of 1990-1999. Periodicity of 7 days and its second harmonic (3.5 days) has been reliably revealed in the car accident events data in Poland for the each year of the period 1990-1999. It is shown that the maximum car accident events take place in Poland on Friday and practically does not depend on the level of solar and geomagnetic activities.

Statistical Analyses of Raw Material Data for MTM45-1/CF7442A-36% RW: CMH Cure Cycle

NASA Technical Reports Server (NTRS)

Coroneos, Rula; Pai, Shantaram, S.; Murthy, Pappu

2013-01-01

This report describes statistical characterization of physical properties of the composite material system MTM45-1/CF7442A, which has been tested and is currently being considered for use on spacecraft structures. This composite system is made of 6K plain weave graphite fibers in a highly toughened resin system. This report summarizes the distribution types and statistical details of the tests and the conditions for the experimental data generated. These distributions will be used in multivariate regression analyses to help determine material and design allowables for similar material systems and to establish a procedure for other material systems. Additionally, these distributions will be used in future probabilistic analyses of spacecraft structures. The specific properties that are characterized are the ultimate strength, modulus, and Poisson??s ratio by using a commercially available statistical package. Results are displayed using graphical and semigraphical methods and are included in the accompanying appendixes.

Application of Lanczos vectors to control design of flexible structures

NASA Technical Reports Server (NTRS)

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

1990-01-01

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

Assessing population genetic structure via the maximisation of genetic distance

PubMed Central

2009-01-01

Background The inference of the hidden structure of a population is an essential issue in population genetics. Recently, several methods have been proposed to infer population structure in population genetics. Methods In this study, a new method to infer the number of clusters and to assign individuals to the inferred populations is proposed. This approach does not make any assumption on Hardy-Weinberg and linkage equilibrium. The implemented criterion is the maximisation (via a simulated annealing algorithm) of the averaged genetic distance between a predefined number of clusters. The performance of this method is compared with two Bayesian approaches: STRUCTURE and BAPS, using simulated data and also a real human data set. Results The simulations show that with a reduced number of markers, BAPS overestimates the number of clusters and presents a reduced proportion of correct groupings. The accuracy of the new method is approximately the same as for STRUCTURE. Also, in Hardy-Weinberg and linkage disequilibrium cases, BAPS performs incorrectly. In these situations, STRUCTURE and the new method show an equivalent behaviour with respect to the number of inferred clusters, although the proportion of correct groupings is slightly better with the new method. Re-establishing equilibrium with the randomisation procedures improves the precision of the Bayesian approaches. All methods have a good precision for FST ≥ 0.03, but only STRUCTURE estimates the correct number of clusters for FST as low as 0.01. In situations with a high number of clusters or a more complex population structure, MGD performs better than STRUCTURE and BAPS. The results for a human data set analysed with the new method are congruent with the geographical regions previously found. Conclusion This new method used to infer the hidden structure in a population, based on the maximisation of the genetic distance and not taking into consideration any assumption about Hardy-Weinberg and linkage equilibrium, performs well under different simulated scenarios and with real data. Therefore, it could be a useful tool to determine genetically homogeneous groups, especially in those situations where the number of clusters is high, with complex population structure and where Hardy-Weinberg and/or linkage equilibrium are present. PMID:19900278

Structure determination and characterization of two rare-earth molybdenum borate compounds: LnMoBO(6) (Ln = La, Ce).

PubMed

Zhao, Dan; Cheng, Wen-Dan; Zhang, Hao; Hang, Shu-Ping; Fang, Ming

2008-07-28

The structural, optical, and electronic properties of two rare-earth molybdenum borate compounds, LnMoBO(6) (Ln = La, Ce), have been investigated by means of single-crystal X-ray diffraction, elemental analyses, and spectral measurements, as well as calculations of energy band structures, density of states, and optical response functions by the density functional method. The title compounds, which crystallize in monoclinic space group P2(1)/c, possess a similar network of interconnected [Ce(2)(MoO(4))(2)](2+) chains and [BO(2)](-) wavy chains. Novel 1D molybdenum oxide chains are contained in their three-dimensional (3D) networks. The calculated results of crystal energy band structure by the density functional theory (DFT) method show that the solid-state compound LaMoBO(6) is a semiconductor with indirect band gaps.

Dynamic functional connectivity using state-based dynamic community structure: method and application to opioid analgesia.

PubMed

Robinson, Lucy F; Atlas, Lauren Y; Wager, Tor D

2015-03-01

We present a new method, State-based Dynamic Community Structure, that detects time-dependent community structure in networks of brain regions. Most analyses of functional connectivity assume that network behavior is static in time, or differs between task conditions with known timing. Our goal is to determine whether brain network topology remains stationary over time, or if changes in network organization occur at unknown time points. Changes in network organization may be related to shifts in neurological state, such as those associated with learning, drug uptake or experimental conditions. Using a hidden Markov stochastic blockmodel, we define a time-dependent community structure. We apply this approach to data from a functional magnetic resonance imaging experiment examining how contextual factors influence drug-induced analgesia. Results reveal that networks involved in pain, working memory, and emotion show distinct profiles of time-varying connectivity. Copyright © 2014 Elsevier Inc. All rights reserved.

Isolation of Chromoplasts and Suborganellar Compartments from Tomato and Bell Pepper Fruit.

PubMed

Barsan, Cristina; Kuntz, Marcel; Pech, Jean-Claude

2017-01-01

Tomato is a model for fruit development and ripening. The isolation of intact plastids from this organism is therefore important for metabolic and proteomic analyses. Pepper, a species from the same family, is also of interest since it allows isolation of intact chromoplasts in large amounts. Here, we provide a detailed protocol for the isolation of tomato plastids at three fruit developmental stages, namely, nascent chromoplasts from the mature green stage, chromoplasts from an intermediate stage, and fully differentiated red chromoplasts. The method relies on sucrose density gradient centrifugations. It yields high purity organelles suitable for proteome analyses. Enzymatic and microscopy assays are summarized to assess purity and intactness. A method is also described for subfractionation of pepper chromoplast lipoprotein structures.

Electronic-projecting Moire method applying CBR-technology

NASA Astrophysics Data System (ADS)

Kuzyakov, O. N.; Lapteva, U. V.; Andreeva, M. A.

2018-01-01

Electronic-projecting method based on Moire effect for examining surface topology is suggested. Conditions of forming Moire fringes and their parameters’ dependence on reference parameters of object and virtual grids are analyzed. Control system structure and decision-making subsystem are elaborated. Subsystem execution includes CBR-technology, based on applying case base. The approach related to analysing and forming decision for each separate local area with consequent formation of common topology map is applied.

Response of two identical seven-story structures to the San Fernando earthquake of February 9, 1971

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

Freeman, S.A.; Honda, K.K.

1973-10-01

The results of the structural dynamic investigation of two sevenstory reinforced concrete frame structures are presented here. The structures are both Holiday Inn rnotor hotels that are essentially identical: one is locrted about 13 miles and the other about 26 miles from the epicenter of the February 9, 1971, San Fernando earthquake. Appreciable nonstructural damage as well as some structural damage was observed. Strong-motion seismic records were obtained for the roof, intermediate story, and ground floor of each structure. The analyses are based on data from the structural drawings, architectural drawings, photographs, engineering reports, and seisrnogram records obtained before, during,more » and after the San Fernando earthquake. Both structures experienced motion well beyond the limits of the building code design criteria. A change in fundamental period was observed for each structure after several seconds of response to the earthquake, which indicated nonlinear response. The analyses indicated that the elastic capacity of some structural members was exceeded. Idealized linear models were constructed to approximate response at various time segments. A method for approximating the nonlinear response of each structure is presented. The effects of nonstructural elements, yielding beams, and column capacities are illustrated. Comparisons of the two buildings are made for ductility factors, dynarnic response characteristics, and damage. Conclusions are drawn concerning the effects of the earthquake on the structures and the future capacities of the structures. (auth)« less

A Psychometric Analysis of the Italian Version of the eHealth Literacy Scale Using Item Response and Classical Test Theory Methods

PubMed Central

Dima, Alexandra Lelia; Schulz, Peter Johannes

2017-01-01

Background The eHealth Literacy Scale (eHEALS) is a tool to assess consumers’ comfort and skills in using information technologies for health. Although evidence exists of reliability and construct validity of the scale, less agreement exists on structural validity. Objective The aim of this study was to validate the Italian version of the eHealth Literacy Scale (I-eHEALS) in a community sample with a focus on its structural validity, by applying psychometric techniques that account for item difficulty. Methods Two Web-based surveys were conducted among a total of 296 people living in the Italian-speaking region of Switzerland (Ticino). After examining the latent variables underlying the observed variables of the Italian scale via principal component analysis (PCA), fit indices for two alternative models were calculated using confirmatory factor analysis (CFA). The scale structure was examined via parametric and nonparametric item response theory (IRT) analyses accounting for differences between items regarding the proportion of answers indicating high ability. Convergent validity was assessed by correlations with theoretically related constructs. Results CFA showed a suboptimal model fit for both models. IRT analyses confirmed all items measure a single dimension as intended. Reliability and construct validity of the final scale were also confirmed. The contrasting results of factor analysis (FA) and IRT analyses highlight the importance of considering differences in item difficulty when examining health literacy scales. Conclusions The findings support the reliability and validity of the translated scale and its use for assessing Italian-speaking consumers’ eHealth literacy. PMID:28400356

D Nearest Neighbour Search Using a Clustered Hierarchical Tree Structure

NASA Astrophysics Data System (ADS)

Suhaibah, A.; Uznir, U.; Anton, F.; Mioc, D.; Rahman, A. A.

2016-06-01

Locating and analysing the location of new stores or outlets is one of the common issues facing retailers and franchisers. This is due to assure that new opening stores are at their strategic location to attract the highest possible number of customers. Spatial information is used to manage, maintain and analyse these store locations. However, since the business of franchising and chain stores in urban areas runs within high rise multi-level buildings, a three-dimensional (3D) method is prominently required in order to locate and identify the surrounding information such as at which level of the franchise unit will be located or is the franchise unit located is at the best level for visibility purposes. One of the common used analyses used for retrieving the surrounding information is Nearest Neighbour (NN) analysis. It uses a point location and identifies the surrounding neighbours. However, with the immense number of urban datasets, the retrieval and analysis of nearest neighbour information and their efficiency will become more complex and crucial. In this paper, we present a technique to retrieve nearest neighbour information in 3D space using a clustered hierarchical tree structure. Based on our findings, the proposed approach substantially showed an improvement of response time analysis compared to existing approaches of spatial access methods in databases. The query performance was tested using a dataset consisting of 500,000 point locations building and franchising unit. The results are presented in this paper. Another advantage of this structure is that it also offers a minimal overlap and coverage among nodes which can reduce repetitive data entry.

Factor structure of cognition and functional capacity in two studies of schizophrenia and bipolar disorder: Implications for genomic studies.

PubMed

Harvey, Philip D; Aslan, Mihaela; Du, Mengtian; Zhao, Hongyu; Siever, Larry J; Pulver, Ann; Gaziano, J Michael; Concato, John

2016-01-01

Impairments in cognition and everyday functioning are common in schizophrenia and bipolar disorder (BPD). In this article, we present factor analyses of cognitive and functional capacity (FC) measures based on 2 studies of schizophrenia (SCZ) and bipolar I disorder (BPI) using similar methods. The overall goal of these analyses was to determine whether performance-based assessments should be examined individually, or aggregated on the basis of the correlational structure of the tests, as well as to evaluate the similarity of factor structures of SCZ and BPI. Veterans Affairs Cooperative Studies Program Study #572 (Harvey et al., 2014) evaluated cognitive and FC measures among 5,414 BPI and 3,942 SCZ patients. A 2nd study evaluated similar neuropsychological (NP) and FC measures among 368 BPI and 436 SCZ patients. Principal components analysis, as well as exploratory and CFAs, were used to examine the data. Analyses in both datasets suggested that NP and FC measures were explained by a single underlying factor in BPI and SCZ patients, both when analyzed separately or as in a combined sample. The factor structure in both studies was similar, with or without inclusion of FC measures; homogeneous loadings were observed for that single factor across cognitive and FC domains across the samples. The empirically derived factor model suggests that NP performance and FC are best explained as a single latent trait applicable to people with SCZ and BPD. This single measure may enhance the robustness of the analyses relating genomic data to performance-based phenotypes. (c) 2015 APA, all rights reserved).

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

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

An efficient approach for the assembly of mass and stiffness matrices of structures with modifications

NASA Astrophysics Data System (ADS)

Wagner, Andreas; Spelsberg-Korspeter, Gottfried

2013-09-01

The finite element method is one of the most common tools for the comprehensive analysis of structures with applications reaching from static, often nonlinear stress-strain, to transient dynamic analyses. For single calculations the expense to generate an appropriate mesh is often insignificant compared to the analysis time even for complex geometries and therefore negligible. However, this is not the case for certain other applications, most notably structural optimization procedures, where the (re-)meshing effort is very important with respect to the total runtime of the procedure. Thus it is desirable to find methods to efficiently generate mass and stiffness matrices allowing to reduce this effort, especially for structures with modifications of minor complexity, e.g. panels with cutouts. Therefore, a modeling approach referred to as Energy Modification Method is proposed in this paper. The underlying idea is to model and discretize the basis structure, e.g. a plate, and the modifications, e.g. holes, separately. The discretized energy expressions of the modifications are then subtracted from (or added to) the energy expressions of the basis structure and the coordinates are related to each other by kinematical constraints leading to the mass and stiffness matrices of the complete structure. This approach will be demonstrated by two simple examples, a rod with varying material properties and a rectangular plate with a rectangular or circular hole, using a finite element discretization as basis. Convergence studies of the method based on the latter example follow demonstrating the rapid convergence and efficiency of the method. Finally, the Energy Modification Method is successfully used in the structural optimization of a circular plate with holes, with the objective to split all its double eigenfrequencies.

Use of conserved key amino acid positions to morph protein folds.

PubMed

Reddy, Boojala V B; Li, Wilfred W; Bourne, Philip E

2002-07-15

By using three-dimensional (3D) structure alignments and a previously published method to determine Conserved Key Amino Acid Positions (CKAAPs) we propose a theoretical method to design mutations that can be used to morph the protein folds. The original Paracelsus challenge, met by several groups, called for the engineering of a stable but different structure by modifying less than 50% of the amino acid residues. We have used the sequences from the Protein Data Bank (PDB) identifiers 1ROP, and 2CRO, which were previously used in the Paracelsus challenge by those groups, and suggest mutation to CKAAPs to morph the protein fold. The total number of mutations suggested is less than 40% of the starting sequence theoretically improving the challenge results. From secondary structure prediction experiments of the proposed mutant sequence structures, we observe that each of the suggested mutant protein sequences likely folds to a different, non-native potentially stable target structure. These results are an early indicator that analyses using structure alignments leading to CKAAPs of a given structure are of value in protein engineering experiments. Copyright 2002 Wiley Periodicals, Inc.

OPTICON: Pro-Matlab software for large order controlled structure design

NASA Technical Reports Server (NTRS)

Peterson, Lee D.

1989-01-01

A software package for large order controlled structure design is described and demonstrated. The primary program, called OPTICAN, uses both Pro-Matlab M-file routines and selected compiled FORTRAN routines linked into the Pro-Matlab structure. The program accepts structural model information in the form of state-space matrices and performs three basic design functions on the model: (1) open loop analyses; (2) closed loop reduced order controller synthesis; and (3) closed loop stability and performance assessment. The current controller synthesis methods which were implemented in this software are based on the Generalized Linear Quadratic Gaussian theory of Bernstein. In particular, a reduced order Optimal Projection synthesis algorithm based on a homotopy solution method was successfully applied to an experimental truss structure using a 58-state dynamic model. These results are presented and discussed. Current plans to expand the practical size of the design model to several hundred states and the intention to interface Pro-Matlab to a supercomputing environment are discussed.

On vital aid: the why, what and how of validation

PubMed Central

Kleywegt, Gerard J.

2009-01-01

Limitations to the data and subjectivity in the structure-determination process may cause errors in macromolecular crystal structures. Appropriate validation techniques may be used to reveal problems in structures, ideally before they are analysed, published or deposited. Additionally, such tech­niques may be used a posteriori to assess the (relative) merits of a model by potential users. Weak validation methods and statistics assess how well a model reproduces the information that was used in its construction (i.e. experimental data and prior knowledge). Strong methods and statistics, on the other hand, test how well a model predicts data or information that were not used in the structure-determination process. These may be data that were excluded from the process on purpose, general knowledge about macromolecular structure, information about the biological role and biochemical activity of the molecule under study or its mutants or complexes and predictions that are based on the model and that can be tested experimentally. PMID:19171968

Deciphering the shape and deformation of secondary structures through local conformation analysis

PubMed Central

2011-01-01

Background Protein deformation has been extensively analysed through global methods based on RMSD, torsion angles and Principal Components Analysis calculations. Here we use a local approach, able to distinguish among the different backbone conformations within loops, α-helices and β-strands, to address the question of secondary structures' shape variation within proteins and deformation at interface upon complexation. Results Using a structural alphabet, we translated the 3 D structures of large sets of protein-protein complexes into sequences of structural letters. The shape of the secondary structures can be assessed by the structural letters that modeled them in the structural sequences. The distribution analysis of the structural letters in the three protein compartments (surface, core and interface) reveals that secondary structures tend to adopt preferential conformations that differ among the compartments. The local description of secondary structures highlights that curved conformations are preferred on the surface while straight ones are preferred in the core. Interfaces display a mixture of local conformations either preferred in core or surface. The analysis of the structural letters transition occurring between protein-bound and unbound conformations shows that the deformation of secondary structure is tightly linked to the compartment preference of the local conformations. Conclusion The conformation of secondary structures can be further analysed and detailed thanks to a structural alphabet which allows a better description of protein surface, core and interface in terms of secondary structures' shape and deformation. Induced-fit modification tendencies described here should be valuable information to identify and characterize regions under strong structural constraints for functional reasons. PMID:21284872

Deciphering the shape and deformation of secondary structures through local conformation analysis.

PubMed

Baussand, Julie; Camproux, Anne-Claude

2011-02-01

Protein deformation has been extensively analysed through global methods based on RMSD, torsion angles and Principal Components Analysis calculations. Here we use a local approach, able to distinguish among the different backbone conformations within loops, α-helices and β-strands, to address the question of secondary structures' shape variation within proteins and deformation at interface upon complexation. Using a structural alphabet, we translated the 3 D structures of large sets of protein-protein complexes into sequences of structural letters. The shape of the secondary structures can be assessed by the structural letters that modeled them in the structural sequences. The distribution analysis of the structural letters in the three protein compartments (surface, core and interface) reveals that secondary structures tend to adopt preferential conformations that differ among the compartments. The local description of secondary structures highlights that curved conformations are preferred on the surface while straight ones are preferred in the core. Interfaces display a mixture of local conformations either preferred in core or surface. The analysis of the structural letters transition occurring between protein-bound and unbound conformations shows that the deformation of secondary structure is tightly linked to the compartment preference of the local conformations. The conformation of secondary structures can be further analysed and detailed thanks to a structural alphabet which allows a better description of protein surface, core and interface in terms of secondary structures' shape and deformation. Induced-fit modification tendencies described here should be valuable information to identify and characterize regions under strong structural constraints for functional reasons.

Synthesis, Structural and Antioxidant Studies of Some Novel N-Ethyl Phthalimide Esters

PubMed Central

Chandraju, Siddegowda; Win, Yip-Foo; Tan, Weng Kang; Quah, Ching Kheng; Fun, Hoong-Kun

2015-01-01

A series of N-ethyl phthalimide esters 4(a-n) were synthesized and characterized by spectroscopic studies. Further, the molecular structure of majority of compounds were analysed by single crystal X-ray diffraction studies. The X-ray analysis revealed the importance of substituents on the crystal stability and molecular packing. All the synthesized compounds were tested for in vitro antioxidant activity by DPPH radical scavenging, FRAP and CUPRAC methods. Few of them have shown good antioxidant activity. PMID:25742494

Synthesis, structural and antioxidant studies of some novel N-ethyl phthalimide esters.

PubMed

Chidan Kumar, C S; Loh, Wan-Sin; Chandraju, Siddegowda; Win, Yip-Foo; Tan, Weng Kang; Quah, Ching Kheng; Fun, Hoong-Kun

2015-01-01

A series of N-ethyl phthalimide esters 4(a-n) were synthesized and characterized by spectroscopic studies. Further, the molecular structure of majority of compounds were analysed by single crystal X-ray diffraction studies. The X-ray analysis revealed the importance of substituents on the crystal stability and molecular packing. All the synthesized compounds were tested for in vitro antioxidant activity by DPPH radical scavenging, FRAP and CUPRAC methods. Few of them have shown good antioxidant activity.

Structure/Function Analyses of Human Serum Paraoxonase (HuPON1) Mutants Designed from a DFPase-Like Homology Model

DTIC Science & Technology

2004-08-23

purified HuPON1 Substitution of amino acid residues in the HuPONI enzyme was accomplished by PCR-based site-directed Two methods were utilized to...including organophosphates and lactones, and exhibits anti-atherogenic properties. A few amino acids have been shown to be essential for the enzyme’s...not been assigned to those residues. Based on scquence-structure alignment studies, we have folded the amino acid sequence of HuPON I onto the sixfold

Levels of Urinary Trypsin Inhibitor and Structure of Its Chondroitin Sulphate Moiety in Type 1 and Type 2 Diabetes

PubMed Central

Ucciferri, Nadia; Idini, Michela; De Muro, Pierina

2018-01-01

Background Diabetes mellitus is a global health problem representing the fifth leading cause of mortality and a major risk factor for cardiovascular diseases. In the last years, we reported an association among urinary trypsin inhibitor (UTI), a small proteoglycan that plays pleiotropic roles in many inflammatory processes, and both type 1 and 2 diabetes and developed a method for its direct quantitation and structural characterization. Methods Urine from 39 patients affected by type 1 diabetes, 32 patients with type 2 diabetes, and 52 controls were analysed. UTI was separated from the main glycosaminoglycans physiologically present in urine by anion exchange chromatography, treated for chondroitin sulphate (CS) chain complete depolymerisation, and analysed for both UTI content and CS structure. UTI identification was performed by nano-LC-MS/MS analysis. Results We evidenced increased UTI levels, as well as reduced sulphation of its CS moiety in association with diabetes, regardless of both age and medium-term glycaemic control. Furthermore, no association between UTI and albumin excretion rate was found. Conclusions Evidences suggest that UTI levels are not directly correlated with renal function or, otherwise, that they may increase before the onset of renal impairment in diabetes, representing a potential marker for the underlying inflammatory condition. PMID:29541644

Structural, microstructural and vibrational analyses of the monoclinic tungstate BiLuWO6

NASA Astrophysics Data System (ADS)

Ait Ahsaine, H.; Taoufyq, A.; Patout, L.; Ezahri, M.; Benlhachemi, A.; Bakiz, B.; Villain, S.; Guinneton, F.; Gavarri, J.-R.

2014-10-01

The bismuth lutetium tungstate phase BiLuWO6 has been prepared using a solid state route with stoichiometric mixtures of oxide precursors. The obtained polycrystalline phase has been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Raman spectroscopy. In the first step, the crystal structure has been refined using Rietveld method: the crystal cell was resolved using monoclinic system (parameters a, b, c, β) with space group A2/m. SEM images showed the presence of large crystallites with a constant local nominal composition (BiLuW). TEM analyses showed that the actual local structure could be better represented by a superlattice (a, 2b, c, β) associated with space groups P2 or P2/m. The Raman spectroscopy showed the presence of vibrational bands similar to those observed in the compounds BiREWO6 with RE=Y, Gd, Nd. However, these vibrational bands were characterized by large full width at half maximum, probably resulting from the long range Bi/Lu disorder and local WO6 octahedron distortions in the structure.

Structural integrity of a confinement vessel for testing nuclear fuels for space propulsion

NASA Astrophysics Data System (ADS)

Bergmann, V. L.

Nuclear propulsion systems for rockets could significantly reduce the travel time to distant destinations in space. However, long before such a concept can become reality, a significant effort must be invested in analysis and ground testing to guide the development of nuclear fuels. Any testing in support of development of nuclear fuels for space propulsion must be safely contained to prevent the release of radioactive materials. This paper describes analyses performed to assess the structural integrity of a test confinement vessel. The confinement structure, a stainless steel pressure vessel with bolted flanges, was designed for operating static pressures in accordance with the ASME Boiler and Pressure Vessel Code. In addition to the static operating pressures, the confinement barrier must withstand static overpressures from off-normal conditions without releasing radioactive material. Results from axisymmetric finite element analyses are used to evaluate the response of the confinement structure under design and accident conditions. For the static design conditions, the stresses computed from the ASME code are compared with the stresses computed by the finite element method.

Preparation, Structural and Dielectric Properties of Solution Grown Polyvinyl Alcohol(PVA) Film

NASA Astrophysics Data System (ADS)

Nangia, Rakhi; Shukla, Neeraj K.; Sharma, Ambika

2017-08-01

Flexible dielectrics with high permittivity have been investigated extensively due to their applications in electronic industry. In this work, structural and electrical characteristics of polymer based film have been analysed. Poly vinyl alcohol (PVA) film was prepared by solution casting method. X-ray diffraction (XRD) characterization technique is used to investigate the structural properties. The semi-crystalline nature has been determined by the analysis of the obtained XRD pattern. Electrical properties of the synthesized film have been analysed from the C-V and I-V curves obtained at various frequencies and temperatures. Low conductivity values confirm the insulating behaviour of the film. However, it is found that conductivity increases with temperature. Also, the dielectric permittivity is found to be higher at lower frequencies and higher temperatures, that proves PVA to be an excellent dielectric material which can be used in interface electronics. Dielectric behaviour of the film has been explained based on dipole orientations to slow and fast varying electric field. However further engineering can be done to modulate the structural, electrical properties of the film.

Simulation-based optimization of lattice support structures for offshore wind energy converters with the simultaneous perturbation algorithm

NASA Astrophysics Data System (ADS)

Molde, H.; Zwick, D.; Muskulus, M.

2014-12-01

Support structures for offshore wind turbines are contributing a large part to the total project cost, and a cost saving of a few percent would have considerable impact. At present support structures are designed with simplified methods, e.g., spreadsheet analysis, before more detailed load calculations are performed. Due to the large number of loadcases only a few semimanual design iterations are typically executed. Computer-assisted optimization algorithms could help to further explore design limits and avoid unnecessary conservatism. In this study the simultaneous perturbation stochastic approximation method developed by Spall in the 1990s was assessed with respect to its suitability for support structure optimization. The method depends on a few parameters and an objective function that need to be chosen carefully. In each iteration the structure is evaluated by time-domain analyses, and joint fatigue lifetimes and ultimate strength utilization are computed from stress concentration factors. A pseudo-gradient is determined from only two analysis runs and the design is adjusted in the direction that improves it the most. The algorithm is able to generate considerably improved designs, compared to other methods, in a few hundred iterations, which is demonstrated for the NOWITECH 10 MW reference turbine.

Monitoring of bone healing by piezoelectric-EMI method

NASA Astrophysics Data System (ADS)

Mazlina, M. H.; Sarpinah, Bibi; Tawie, Rudy; Daho, Claira Dalislone; Annuar, Ishak

2016-02-01

Smart Piezoelectric devices which have excellent piezoelectric properties have been employed for various sensor and actuators applications. The work presented here is an attempt to demonstrate the feasibility of bone healing monitoring by using piezoelectric-electromechanical impedance (EMI) method that have several advantages such as low cost, portable, light weight and simplicity in measurement. A Piezoelectric sensor (PZT) has been widely used in damage detection of various structures including concrete, pipes and bones due to their unique sensing and actuating properties. The EMI technique has emerged as a universal Structural Health Monitoring (SHM) tool suitable for almost all engineering materials and structures. The method used for this proposed study consists of put healing agent in the host structure in particular cracks bone to be monitored by PZT-needle sensor which is embedded to the host structure. The measurements were taken in the frequency range between 0.04 to 100 kHz at 1 kHz interval using AD5933 evaluation board. The signals retrieved from the AD5933 evaluation board, were quantify and analyse to obtain Root Mean Square Deviation (RMSD) percentage value. Measurements were taken every hour for 12 hours. The result from the study shows the feasibility of the piezoelectric-EMI method to effectively detect changes during bone-cracks healing process until the cracks bone is fully recovered.

Simulation assisted characterization of kaolinite-methanol intercalation complexes synthesized using cost-efficient homogenization method

NASA Astrophysics Data System (ADS)

Makó, Éva; Kovács, András; Ható, Zoltán; Kristóf, Tamás

2015-12-01

Recent experimental and simulation findings with kaolinite-methanol intercalation complexes raised the question of the existence of more stable structures in wet and dry state, which has not been fully cleared up yet. Experimental and molecular simulation analyses were used to investigate different types of kaolinite-methanol complexes, revealing their real structures. Cost-efficient homogenization methods were applied to synthesize the kaolinite-dimethyl sulfoxide and kaolinite-urea pre-intercalation complexes of the kaolinite-methanol ones. The tested homogenization method required an order of magnitude lower amount of reagents than the generally applied solution method. The influence of the type of pre-intercalated molecules and of the wetting or drying (at room temperature and at 150 °C) procedure on the intercalation was characterized experimentally by X-ray diffraction and thermal analysis. Consistent with the suggestion from the present simulations, 1.12-nm and 0.83-nm stable kaolinite-methanol complexes were identified. For these complexes, our molecular simulations predict either single-layered structures of mobile methanol/water molecules or non-intercalated structures of methoxy-functionalized kaolinite. We found that the methoxy-modified kaolinite can easily be intercalated by liquid methanol.

Genetic structure of Plasmodium falciparum populations across the Honduras-Nicaragua border

PubMed Central

2013-01-01

Background The Caribbean coast of Central America remains an area of malaria transmission caused by Plasmodium falciparum despite the fact that morbidity has been reduced in recent years. Parasite populations in that region show interesting characteristics such as chloroquine susceptibility and low mortality rates. Genetic structure and diversity of P. falciparum populations in the Honduras-Nicaragua border were analysed in this study. Methods Seven neutral microsatellite loci were analysed in 110 P. falciparum isolates from endemic areas of Honduras (n = 77) and Nicaragua (n = 33), mostly from the border region called the Moskitia. Several analyses concerning the genetic diversity, linkage disequilibrium, population structure, molecular variance, and haplotype clustering were conducted. Results There was a low level of genetic diversity in P. falciparum populations from Honduras and Nicaragua. Expected heterozigosity (He) results were similarly low for both populations. A moderate differentiation was revealed by the FST index between both populations, and two putative clusters were defined through a structure analysis. The main cluster grouped most of samples from Honduras and Nicaragua, while the second cluster was smaller and included all the samples from the Siuna community in Nicaragua. This result could partially explain the stronger linkage disequilibrium (LD) in the parasite population from that country. These findings are congruent with the decreasing rates of malaria endemicity in Central America. PMID:24093629

Isozymes and the genetic resources of forest trees

Treesearch

A. H. D. Brown; G. F. Moran

1981-01-01

Genetic data are an essential prerequisite for analysing the genetic structure of tree populations. The isozyme technique is the best currently available method for obtaining such data. Despite several shortcomings, isozyme data directly evaluate the genetic resources of forest trees, and can thus be used to monitor and manipulate these resources. For example,...

The Case for the Perceived Social Competence Scale II

ERIC Educational Resources Information Center

Anderson-Butcher, Dawn; Amorose, Anthony J.; Lower, Leeann M.; Riley, Allison; Gibson, Allison; Ruch, Donna

2016-01-01

Objective: This study examines the psychometric properties of the revised Perceived Social Competence Scale (PSCS), a brief, user-friendly tool used to assess social competence among youth. Method: Confirmatory factor analyses (CFAs) examined the factor structure and invariance of an enhanced scale (PSCS-II), among a sample of 420 youth.…

L'analyse structurale en traduction poetique (Structural Analysis in Poetic Translation)

ERIC Educational Resources Information Center

Larose, Robert; Slote, Daniel

1978-01-01

Mallarme's translation of the third stanza of Poe's "Israfel" is used to illustrate this method, based on that of Jacobsen and Levi-Strauss. The categories for analysis are divided into formal and semantic properties, each of which is subdivided into phonology, morphology, lexicology and syntax. (Text is in French.) (AMH)

Polybrominated diphenyl ethers from the marine organisms Lendenfeldia dendyi and Sinularia dura with anti-MRSa activity

USDA-ARS?s Scientific Manuscript database

Bioassay-guided fractionation of the marine sponge Lendenfeldia dendyi and the soft coral Sinularia dura resulted in the isolation of five polybrominated diphenyl ethers (1-5). The structures of the isolated compounds were determined using spectroscopic methods(lD and 2D NMR) and HRMS analyses. The ...

Experimental evaluation of four ground-motion scaling methods for dynamic response-history analysis of nonlinear structures

USGS Publications Warehouse

O'Donnell, Andrew P.; Kurama, Yahya C.; Kalkan, Erol; Taflanidis, Alexandros A.

2017-01-01

This paper experimentally evaluates four methods to scale earthquake ground-motions within an ensemble of records to minimize the statistical dispersion and maximize the accuracy in the dynamic peak roof drift demand and peak inter-story drift demand estimates from response-history analyses of nonlinear building structures. The scaling methods that are investigated are based on: (1) ASCE/SEI 7–10 guidelines; (2) spectral acceleration at the fundamental (first mode) period of the structure, Sa(T1); (3) maximum incremental velocity, MIV; and (4) modal pushover analysis. A total of 720 shake-table tests of four small-scale nonlinear building frame specimens with different static and dynamic characteristics are conducted. The peak displacement demands from full suites of 36 near-fault ground-motion records as well as from smaller “unbiased” and “biased” design subsets (bins) of ground-motions are included. Out of the four scaling methods, ground-motions scaled to the median MIV of the ensemble resulted in the smallest dispersion in the peak roof and inter-story drift demands. Scaling based on MIValso provided the most accurate median demands as compared with the “benchmark” demands for structures with greater nonlinearity; however, this accuracy was reduced for structures exhibiting reduced nonlinearity. The modal pushover-based scaling (MPS) procedure was the only method to conservatively overestimate the median drift demands.

Research regarding the influence of driving-wires length change on positioning precision of a robotic arm

NASA Astrophysics Data System (ADS)

Ciofu, C.; Stan, G.

2016-08-01

The paper emphasise positioning precision of an elephant's trunk robotic arm which has joints driven by wires with variable length while operating The considered 5 degrees of freedom robotic arm has a particular structure of joint that makes possible inner actuation with wire-driven mechanism. We analyse solely the length change of wires as a consequence due inner winding and unwinding on joints for certain values of rotational angles. Variations in wires length entail joint angular displacements. We analyse positioning precision by taking into consideration equations from inverse kinematics of the elephant's trunk robotic arm. The angular displacements of joints are considered into computational method after partial derivation of positioning equations. We obtain variations of wires length at about tenths of micrometers. These variations employ angular displacements which are about minutes of sexagesimal degree and, thus, define positioning precision of elephant's trunk robotic arms. The analytical method is used for determining aftermath design structure of an elephant's trunk robotic arm with inner actuation through wires on positioning precision. Thus, designers could take suitable decisions on accuracy specifications limits of the robotic arm.

Static and free-vibration analyses of cracks in thin-shell structures based on an isogeometric-meshfree coupling approach

NASA Astrophysics Data System (ADS)

Nguyen-Thanh, Nhon; Li, Weidong; Zhou, Kun

2018-03-01

This paper develops a coupling approach which integrates the meshfree method and isogeometric analysis (IGA) for static and free-vibration analyses of cracks in thin-shell structures. In this approach, the domain surrounding the cracks is represented by the meshfree method while the rest domain is meshed by IGA. The present approach is capable of preserving geometry exactness and high continuity of IGA. The local refinement is achieved by adding the nodes along the background cells in the meshfree domain. Moreover, the equivalent domain integral technique for three-dimensional problems is derived from the additional Kirchhoff-Love theory to compute the J-integral for the thin-shell model. The proposed approach is able to address the problems involving through-the-thickness cracks without using additional rotational degrees of freedom, which facilitates the enrichment strategy for crack tips. The crack tip enrichment effects and the stress distribution and displacements around the crack tips are investigated. Free vibrations of cracks in thin shells are also analyzed. Numerical examples are presented to demonstrate the accuracy and computational efficiency of the coupling approach.

MultiMap: A Tool to Automatically Extract and Analyse Spatial Microscopic Data From Large Stacks of Confocal Microscopy Images

PubMed Central

Varando, Gherardo; Benavides-Piccione, Ruth; Muñoz, Alberto; Kastanauskaite, Asta; Bielza, Concha; Larrañaga, Pedro; DeFelipe, Javier

2018-01-01

The development of 3D visualization and reconstruction methods to analyse microscopic structures at different levels of resolutions is of great importance to define brain microorganization and connectivity. MultiMap is a new tool that allows the visualization, 3D segmentation and quantification of fluorescent structures selectively in the neuropil from large stacks of confocal microscopy images. The major contribution of this tool is the posibility to easily navigate and create regions of interest of any shape and size within a large brain area that will be automatically 3D segmented and quantified to determine the density of puncta in the neuropil. As a proof of concept, we focused on the analysis of glutamatergic and GABAergic presynaptic axon terminals in the mouse hippocampal region to demonstrate its use as a tool to provide putative excitatory and inhibitory synaptic maps. The segmentation and quantification method has been validated over expert labeled images of the mouse hippocampus and over two benchmark datasets, obtaining comparable results to the expert detections. PMID:29875639

MultiMap: A Tool to Automatically Extract and Analyse Spatial Microscopic Data From Large Stacks of Confocal Microscopy Images.

PubMed

Varando, Gherardo; Benavides-Piccione, Ruth; Muñoz, Alberto; Kastanauskaite, Asta; Bielza, Concha; Larrañaga, Pedro; DeFelipe, Javier

2018-01-01

The development of 3D visualization and reconstruction methods to analyse microscopic structures at different levels of resolutions is of great importance to define brain microorganization and connectivity. MultiMap is a new tool that allows the visualization, 3D segmentation and quantification of fluorescent structures selectively in the neuropil from large stacks of confocal microscopy images. The major contribution of this tool is the posibility to easily navigate and create regions of interest of any shape and size within a large brain area that will be automatically 3D segmented and quantified to determine the density of puncta in the neuropil. As a proof of concept, we focused on the analysis of glutamatergic and GABAergic presynaptic axon terminals in the mouse hippocampal region to demonstrate its use as a tool to provide putative excitatory and inhibitory synaptic maps. The segmentation and quantification method has been validated over expert labeled images of the mouse hippocampus and over two benchmark datasets, obtaining comparable results to the expert detections.

An Overview of Longitudinal Data Analysis Methods for Neurological Research

PubMed Central

Locascio, Joseph J.; Atri, Alireza

2011-01-01

The purpose of this article is to provide a concise, broad and readily accessible overview of longitudinal data analysis methods, aimed to be a practical guide for clinical investigators in neurology. In general, we advise that older, traditional methods, including (1) simple regression of the dependent variable on a time measure, (2) analyzing a single summary subject level number that indexes changes for each subject and (3) a general linear model approach with a fixed-subject effect, should be reserved for quick, simple or preliminary analyses. We advocate the general use of mixed-random and fixed-effect regression models for analyses of most longitudinal clinical studies. Under restrictive situations or to provide validation, we recommend: (1) repeated-measure analysis of covariance (ANCOVA), (2) ANCOVA for two time points, (3) generalized estimating equations and (4) latent growth curve/structural equation models. PMID:22203825

Non-destructive analysis of the conformational differences among feedstock sources and their corresponding co-products from bioethanol production with molecular spectroscopy.

PubMed

Gamage, I H; Jonker, A; Zhang, X; Yu, P

2014-01-24

The objective of this study was to determine the possibility of using molecular spectroscopy with multivariate technique as a fast method to detect the source effects among original feedstock sources of wheat and their corresponding co-products, wheat DDGS, from bioethanol production. Different sources of the bioethanol feedstock and their corresponding bioethanol co-products, three samples per source, were collected from the same newly-built bioethanol plant with current bioethanol processing technology. Multivariate molecular spectral analyses were carried out using agglomerative hierarchical cluster analysis (AHCA) and principal component analysis (PCA). The molecular spectral data of different feedstock sources and their corresponding co-products were compared at four different regions of ca. 1800-1725 cm(-1) (carbonyl CO ester, mainly related to lipid structure conformation), ca. 1725-1482 cm(-1) (amide I and amide II region mainly related to protein structure conformation), ca. 1482-1180 cm(-1) (mainly associated with structural carbohydrate) and ca. 1180-800 cm(-1) (mainly related to carbohydrates) in complex plant-based system. The results showed that the molecular spectroscopy with multivariate technique could reveal the structural differences among the bioethanol feedstock sources and among their corresponding co-products. The AHCA and PCA analyses were able to distinguish the molecular structure differences associated with chemical functional groups among the different sources of the feedstock and their corresponding co-products. The molecular spectral differences indicated the differences in functional, biomolecular and biopolymer groups which were confirmed by wet chemical analysis. These biomolecular and biopolymer structural differences were associated with chemical and nutrient profiles and nutrient utilization and availability. Molecular spectral analyses had the potential to identify molecular structure difference among bioethanol feedstock sources and their corresponding co-products. Copyright © 2013 Elsevier B.V. All rights reserved.

Non-destructive analysis of the conformational differences among feedstock sources and their corresponding co-products from bioethanol production with molecular spectroscopy

NASA Astrophysics Data System (ADS)

Gamage, I. H.; Jonker, A.; Zhang, X.; Yu, P.

2014-01-01

The objective of this study was to determine the possibility of using molecular spectroscopy with multivariate technique as a fast method to detect the source effects among original feedstock sources of wheat and their corresponding co-products, wheat DDGS, from bioethanol production. Different sources of the bioethanol feedstock and their corresponding bioethanol co-products, three samples per source, were collected from the same newly-built bioethanol plant with current bioethanol processing technology. Multivariate molecular spectral analyses were carried out using agglomerative hierarchical cluster analysis (AHCA) and principal component analysis (PCA). The molecular spectral data of different feedstock sources and their corresponding co-products were compared at four different regions of ca. 1800-1725 cm-1 (carbonyl Cdbnd O ester, mainly related to lipid structure conformation), ca. 1725-1482 cm-1 (amide I and amide II region mainly related to protein structure conformation), ca. 1482-1180 cm-1 (mainly associated with structural carbohydrate) and ca. 1180-800 cm-1 (mainly related to carbohydrates) in complex plant-based system. The results showed that the molecular spectroscopy with multivariate technique could reveal the structural differences among the bioethanol feedstock sources and among their corresponding co-products. The AHCA and PCA analyses were able to distinguish the molecular structure differences associated with chemical functional groups among the different sources of the feedstock and their corresponding co-products. The molecular spectral differences indicated the differences in functional, biomolecular and biopolymer groups which were confirmed by wet chemical analysis. These biomolecular and biopolymer structural differences were associated with chemical and nutrient profiles and nutrient utilization and availability. Molecular spectral analyses had the potential to identify molecular structure difference among bioethanol feedstock sources and their corresponding co-products.

Synthesis, crystal structure investigation, spectroscopic characterizations and DFT computations on a novel 1-(2-chloro-4-phenylquinolin-3-yl)ethanone

NASA Astrophysics Data System (ADS)

Murugavel, S.; Stephen, C. S. Jacob Prasanna; Subashini, R.; Reddy, H. Raveendranatha; AnanthaKrishnan, Dhanabalan

2016-10-01

The title compound 1-(2-chloro-4-phenylquinolin-3-yl)ethanone (CPQE) was synthesised effectively by chlorination of 3-acetyl-4-phenylquinolin-2(1H)-one (APQ) using POCl3 reagent. Structural and vibrational spectroscopic studies were performed by utilizing single crystal X-ray diffraction, FTIR and NMR spectral analysis along with DFT method utilizing GAUSSIAN‧ 03 software. Veda program has been employed to perform a detailed interpretation of vibrational spectra. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NBO, Global chemical reactivity descriptors and thermodynamic properties have been examined by (DFT/B3LYP) method with the 6-311G(d,p) basis set level.

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

Boroun, G. R., E-mail: grboroun@gmail.com, E-mail: boroun@razi.ac.ir; Zarrin, S.; Dadfar, S.

We evaluate the non-singlet spin-dependent structure function g{sub 1}{sup NS} at leading order (LO) and next-to-leading order (NLO) by using the Laplace-transform technique and method of characteristics and also obtain its first moment at NLO. The polarized non-singlet structure function results are compared with the data from HERMES (A. Airapetian et al., Phys. Rev. D 75, 012007 (2007)) and E143 (K. Abe et al. (E143 Collab.), Phys. Rev. D 58, 112003 (1998)) at LO and NLO analyses and the first-moment the result at NLO is compared with the result of the NLO GRSV2000 fit. Considering the solution, this method ismore » valid at low- and large-x regions.« less

Analysis of fatigue, fatique-crack propagation, and fracture data. [design of metallic aerospace structural components

NASA Technical Reports Server (NTRS)

Jaske, C. E.; Feddersen, C. E.; Davies, K. B.; Rice, R. C.

1973-01-01

Analytical methods have been developed for consolidation of fatigue, fatigue-crack propagation, and fracture data for use in design of metallic aerospace structural components. To evaluate these methods, a comprehensive file of data on 2024 and 7075 aluminums, Ti-6A1-4V, and 300M and D6Ac steels was established. Data were obtained from both published literature and unpublished reports furnished by aerospace companies. Fatigue and fatigue-crack-propagation analyses were restricted to information obtained from constant-amplitude load or strain cycling of specimens in air at room temperature. Fracture toughness data were from tests of center-cracked tension panels, part-through crack specimens, and compact-tension specimens.

Ares I Flight Control System Overview

NASA Technical Reports Server (NTRS)

Hall, Charles; Lee, Chong; Jackson, Mark; Whorton, Mark; West, mark; Brandon, Jay; Hall, Rob A.; Jang, Jimmy; Bedrossian, Naz; Compton, Jimmy;

The factor structure of the illness attitude scales in a German population.

PubMed

Weck, Florian; Bleichhardt, Gaby; Hiller, Wolfgang

2009-01-01

The illness attitudes scales (IAS) were developed to identify different dimensions of hypochondrical attitudes, fears, beliefs, and abnormal illness behavior (Kellner 1986). Although there are several studies which focus on the scale structure of the IAS, the factor structure has not yet been made quite clear. Therefore, the aim of this study was to investigate the factor structure of the IAS on a large representative sample. Participants (N = 1,575) comparable with the general German population regarding sex, age, and education level completed the IAS. For the data analyses, a principal components analyses with subsequent oblique rotations was used. The minimum average partial method suggested a three-factor solution. The three factors were named (1) health anxiety, (2) health behavior, and (3) health habits. Internal consistency (Cronbach's alpha) for the three scales were (1) alpha = 0.88, (2) alpha = 0.75, and (3) alpha = 0.56. The results support previous findings, namely that the IAS factor structure appears to be less complex than originally suggested by the author. For a sample of the general German population, a three-factor solution fit best. Further items should be added to improve the internal consistency, especially for the third scale (health habits).

Ultrasonic-assisted synthesis of nano lead(II) coordination polymer as precursors for preparation of lead(II) oxide nano-structures: Thermal, optical properties and XRD studies.

PubMed

Ghavidelaghdam, Elham; Shahverdizadeh, Gholam Hossein; Motameni Tabatabai, Javad; Mirtamizdoust, Babak

2018-04-01

Nano structure of a lead (II) coordination polymer [Pb 2 (C 2 Cl 3 O 2 ) 2 (NO 3 ) 2 (C l2 H 8 N 2 ) 2 ] n (1), has been synthesized by a sonochemical method in different concentrations. The nano particles were characterized by scanning electron microscopy (SEM) X-ray powder diffraction (XRD), FT-IR spectroscopy and elemental analyses. The thermal stability of nano structure is closely investigated via thermal gravimetric (TGA), and compared with crystalline structure. The compounds are then heated to 600 °C to produce PbO nano particles. The resulting PbO is characterized through XRD and SEM analyses. Concentration of initial reagents effects on size and morphology of nano-structured compound 1 have been studied and show that low concentrations of initial reagents decreased particles size and leaded to uniform nano particles morphology. The photoluminescence properties of the prepared compound, as crystalline and as nanoparticles, have been investigated. The result showed a good correlation between the size and emission wavelength. Copyright © 2017. Published by Elsevier B.V.

Structural features based genome-wide characterization and prediction of nucleosome organization

PubMed Central

2012-01-01

Background Nucleosome distribution along chromatin dictates genomic DNA accessibility and thus profoundly influences gene expression. However, the underlying mechanism of nucleosome formation remains elusive. Here, taking a structural perspective, we systematically explored nucleosome formation potential of genomic sequences and the effect on chromatin organization and gene expression in S. cerevisiae. Results We analyzed twelve structural features related to flexibility, curvature and energy of DNA sequences. The results showed that some structural features such as DNA denaturation, DNA-bending stiffness, Stacking energy, Z-DNA, Propeller twist and free energy, were highly correlated with in vitro and in vivo nucleosome occupancy. Specifically, they can be classified into two classes, one positively and the other negatively correlated with nucleosome occupancy. These two kinds of structural features facilitated nucleosome binding in centromere regions and repressed nucleosome formation in the promoter regions of protein-coding genes to mediate transcriptional regulation. Based on these analyses, we integrated all twelve structural features in a model to predict more accurately nucleosome occupancy in vivo than the existing methods that mainly depend on sequence compositional features. Furthermore, we developed a novel approach, named DLaNe, that located nucleosomes by detecting peaks of structural profiles, and built a meta predictor to integrate information from different structural features. As a comparison, we also constructed a hidden Markov model (HMM) to locate nucleosomes based on the profiles of these structural features. The result showed that the meta DLaNe and HMM-based method performed better than the existing methods, demonstrating the power of these structural features in predicting nucleosome positions. Conclusions Our analysis revealed that DNA structures significantly contribute to nucleosome organization and influence chromatin structure and gene expression regulation. The results indicated that our proposed methods are effective in predicting nucleosome occupancy and positions and that these structural features are highly predictive of nucleosome organization. The implementation of our DLaNe method based on structural features is available online. PMID:22449207

Experimental study on cesium immobilization in struvite structures.

PubMed

Wagh, Arun S; Sayenko, S Y; Shkuropatenko, V A; Tarasov, R V; Dykiy, M P; Svitlychniy, Y O; Virych, V D; Ulybkina, Е А

2016-01-25

Ceramicrete, a chemically bonded phosphate ceramic, was developed for nuclear waste immobilization and nuclear radiation shielding. Ceramicrete products are fabricated by an acid-base reaction between magnesium oxide and mono potassium phosphate that has a struvite-K mineral structure. In this study, we demonstrate that this crystalline structure is ideal for incorporating radioactive Cs into a Ceramicrete matrix. This is accomplished by partially replacing K by Cs in the struvite-K structure, thus forming struvite-(K, Cs) mineral. X-ray diffraction and thermo-gravimetric analyses are used to confirm such a replacement. The resulting product is non-leachable and stable at high temperatures, and hence it is an ideal matrix for immobilizing Cs found in high-activity nuclear waste streams. The product can also be used for immobilizing secondary waste streams generated during glass vitrification of spent fuel, or the method described in this article can be used as a pretreatment method during glass vitrification of high level radioactive waste streams. Furthermore, it suggests a method of producing safe commercial radioactive Cs sources. Copyright © 2015 Elsevier B.V. All rights reserved.

Study on monitoring of deep foundation pit with SMW engineering method plus anchor cable retaining structure

NASA Astrophysics Data System (ADS)

Chen, Wenzhao; Cui, Wenping

2018-03-01

The SMW method has many advantages, such as little influence on the surrounding environment, good watertight performance, wide range of application, short construction period, low cost and so on. In this paper, we chose the SMW engineering method combined with anchor cable to support structure in the second phase deep foundation pit of Jinan LuJinDongCheng as the research object, monitored and analysed the horizontal displacement of the pile top, Peripheral surface subsidence and internal force of the anchor cable in the foundation pit. We also discussed the displacement, internal force of anchor cable and the settlement of surrounding environment in the excavation of foundation pit and in different stages of construction. Conclusion:(1)The maximum horizontal displacement of the retaining structure is closely related to the depth and time of excavation, the construction of anchor cable can well limit the deformation of pile body; (2)Groundwater seepage caused by foundation pit dewatering will change the effective stress of soil. The change of groundwater level has an important influence on the working behavior of smw anchor cable supporting structure.

Analysis of genetic population structure in Acacia caven (Leguminosae, Mimosoideae), comparing one exploratory and two Bayesian-model-based methods

PubMed Central

Pometti, Carolina L.; Bessega, Cecilia F.; Saidman, Beatriz O.; Vilardi, Juan C.

2014-01-01

Bayesian clustering as implemented in STRUCTURE or GENELAND software is widely used to form genetic groups of populations or individuals. On the other hand, in order to satisfy the need for less computer-intensive approaches, multivariate analyses are specifically devoted to extracting information from large datasets. In this paper, we report the use of a dataset of AFLP markers belonging to 15 sampling sites of Acacia caven for studying the genetic structure and comparing the consistency of three methods: STRUCTURE, GENELAND and DAPC. Of these methods, DAPC was the fastest one and showed accuracy in inferring the K number of populations (K = 12 using the find.clusters option and K = 15 with a priori information of populations). GENELAND in turn, provides information on the area of membership probabilities for individuals or populations in the space, when coordinates are specified (K = 12). STRUCTURE also inferred the number of K populations and the membership probabilities of individuals based on ancestry, presenting the result K = 11 without prior information of populations and K = 15 using the LOCPRIOR option. Finally, in this work all three methods showed high consistency in estimating the population structure, inferring similar numbers of populations and the membership probabilities of individuals to each group, with a high correlation between each other. PMID:24688293

Fatigue assessment for selected connections of structural steel bridge components using the finite elements method

NASA Astrophysics Data System (ADS)

Śledziewski, Krzysztof

2018-01-01

Material fatigue it is one of the most frequent causes of steel bridge failures, particularly the bridges already existing. Thus, the procedure of fatigue life assessment is one of the most relevant procedures in a comprehensive assessment of load-carrying capacity and service life of the structure. A reliable assessment of the fatigue life is predominantly decisive for estimation of the remaining service life. Hitherto, calculation methods of welded joints took into account only stresses occurring in cross sections of whole elements and did not take into account stress concentration occurring in the vicinity of the weld, caused by geometrical aspects of the detail. At present, use of the Finite Element Analysis, makes possible looking for more accurate approach to the fatigue design of steel structures. The method of geometrical stresses is just such approach which is based on definition of stresses which take into account geometry of the detail. The study presents fatigue assessment of a representative type of welded joint in welded bridge structures. The testing covered longitudinal attachments. The main analyses were carried out on the basis of FEM and the method of local stresses, so-called "hot-spot" stresses. The obtained values of stresses were compared with the values obtained in accordance with the method of nominal stress.

Improving the Factor Structure of Psychological Scales

PubMed Central

Zhang, Xijuan; Savalei, Victoria

2015-01-01

Many psychological scales written in the Likert format include reverse worded (RW) items in order to control acquiescence bias. However, studies have shown that RW items often contaminate the factor structure of the scale by creating one or more method factors. The present study examines an alternative scale format, called the Expanded format, which replaces each response option in the Likert scale with a full sentence. We hypothesized that this format would result in a cleaner factor structure as compared with the Likert format. We tested this hypothesis on three popular psychological scales: the Rosenberg Self-Esteem scale, the Conscientiousness subscale of the Big Five Inventory, and the Beck Depression Inventory II. Scales in both formats showed comparable reliabilities. However, scales in the Expanded format had better (i.e., lower and more theoretically defensible) dimensionalities than scales in the Likert format, as assessed by both exploratory factor analyses and confirmatory factor analyses. We encourage further study and wider use of the Expanded format, particularly when a scale’s dimensionality is of theoretical interest. PMID:27182074

In situ assessment of structural timber elements of a historic building by infrared thermography and ultrasonic velocity

NASA Astrophysics Data System (ADS)

Kandemir-Yucel, A.; Tavukcuoglu, A.; Caner-Saltik, E. N.

2007-01-01

The infrared thermography (IRT) and the ultrasonic velocity measurements (UVM) promise to be particularly important to assess the state of deterioration and the adequacy of the boundary and microclimatic conditions for timber elements. These non-destructive methods supported by laboratory analyses of timber samples were conducted on a 13th century monument, Aslanhane Mosque in Ankara, Turkey. The combined interpretation of the results was done to assess the condition of structural timber elements in terms of their state of preservation, the dampness problems and the recent incompatible repairs affecting them. Results indicated that moist areas in the structure were associated with roof drainage problems and the repairs undertaken with cement-based mortars and plasters and oil-based paints. Juxtaposition of the IRT and UVM together with laboratory analyses was found to be useful to assess the soundness of timber, enhanced the accuracy and effectiveness of the survey and facilitated to build up the urgent and long-term conservation programs.

Association between smoking status and the parameters of vascular structure and function in adults: results from the EVIDENT study

PubMed Central

2013-01-01

Background The present study analyses the relation between smoking status and the parameters used to assess vascular structure and function. Methods This cross-sectional, multi-centre study involved a random sample of 1553 participants from the EVIDENT study. Measurements: The smoking status, peripheral augmentation index and ankle-brachial index were measured in all participants. In a small subset of the main population (265 participants), the carotid intima-media thickness and pulse wave velocity were also measured. Results After controlling for the effect of age, sex and other risk factors, present smokers have higher values of carotid intima-media thickness (p = 0.011). Along the same lines, current smokers have higher values of pulse wave velocity and lower mean values of ankle-brachial index but without statistical significance in both cases. Conclusions Among the parameters of vascular structure and function analysed, only the IMT shows association with the smoking status, after adjusting for confounders. PMID:24289208

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

PubMed

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

2011-02-01

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

Single-cell paired-end genome sequencing reveals structural variation per cell cycle

PubMed Central

Voet, Thierry; Kumar, Parveen; Van Loo, Peter; Cooke, Susanna L.; Marshall, John; Lin, Meng-Lay; Zamani Esteki, Masoud; Van der Aa, Niels; Mateiu, Ligia; McBride, David J.; Bignell, Graham R.; McLaren, Stuart; Teague, Jon; Butler, Adam; Raine, Keiran; Stebbings, Lucy A.; Quail, Michael A.; D’Hooghe, Thomas; Moreau, Yves; Futreal, P. Andrew; Stratton, Michael R.; Vermeesch, Joris R.; Campbell, Peter J.

2013-01-01

The nature and pace of genome mutation is largely unknown. Because standard methods sequence DNA from populations of cells, the genetic composition of individual cells is lost, de novo mutations in cells are concealed within the bulk signal and per cell cycle mutation rates and mechanisms remain elusive. Although single-cell genome analyses could resolve these problems, such analyses are error-prone because of whole-genome amplification (WGA) artefacts and are limited in the types of DNA mutation that can be discerned. We developed methods for paired-end sequence analysis of single-cell WGA products that enable (i) detecting multiple classes of DNA mutation, (ii) distinguishing DNA copy number changes from allelic WGA-amplification artefacts by the discovery of matching aberrantly mapping read pairs among the surfeit of paired-end WGA and mapping artefacts and (iii) delineating the break points and architecture of structural variants. By applying the methods, we capture DNA copy number changes acquired over one cell cycle in breast cancer cells and in blastomeres derived from a human zygote after in vitro fertilization. Furthermore, we were able to discover and fine-map a heritable inter-chromosomal rearrangement t(1;16)(p36;p12) by sequencing a single blastomere. The methods will expedite applications in basic genome research and provide a stepping stone to novel approaches for clinical genetic diagnosis. PMID:23630320

Numerical analyses of ventilated cavitation over a 2-D NACA0015 hydrofoil using two turbulence modeling methods

NASA Astrophysics Data System (ADS)

Yang, Dan-dan; Yu, An; Ji, Bin; Zhou, Jia-jian; Luo, Xian-wu

2018-04-01

The present paper studies the ventilated cavitation over a NACA0015 hydrofoil by numerical methods. The corresponding cavity evolutions are obtained at three ventilation rates by using the level set method. To depict the complicated turbulent flow structure, the filter-based density corrected model (FBDCM) and the modified partially-averaged Navier-Stokes (MPANS) model are applied in the present numerical analyses. It is indicated that the predicted results of the cavitation shedding dynamics by both turbulence models agree fairly well with the experimental data. It is also noted that the shedding frequency and the super cavity length predicted by the MPANS method are closer to the experiment data as compared to that predicted by the FBDCM model. The simulation results show that in the ventilated cavitation, the vapor cavity and the air cavity have the same shedding frequency. As the ventilated rate increases, the vapor cavity is depressed rapidly. The cavitation-vortex interaction in the ventilated cavitation is studied based on the vorticity transport equation (VTE) and the Lagrangian coherent structure (LCS). Those results demonstrate that the vortex dilatation and baroclinic torque terms are highly dependent on the evolution of the cavitation. In addition, from the LCSs and the tracer particles in the flow field, one may see the process from the attached cavity to the cloud cavity.

Methodological flaws introduce strong bias into molecular analysis of microbial populations.

PubMed

Krakat, N; Anjum, R; Demirel, B; Schröder, P

2017-02-01

In this study, we report how different cell disruption methods, PCR primers and in silico analyses can seriously bias results from microbial population studies, with consequences for the credibility and reproducibility of the findings. Our results emphasize the pitfalls of commonly used experimental methods that can seriously weaken the interpretation of results. Four different cell lysis methods, three commonly used primer pairs and various computer-based analyses were applied to investigate the microbial diversity of a fermentation sample composed of chicken dung. The fault-prone, but still frequently used, amplified rRNA gene restriction analysis was chosen to identify common weaknesses. In contrast to other studies, we focused on the complete analytical process, from cell disruption to in silico analysis, and identified potential error rates. This identified a wide disagreement of results between applied experimental approaches leading to very different community structures depending on the chosen approach. The interpretation of microbial diversity data remains a challenge. In order to accurately investigate the taxonomic diversity and structure of prokaryotic communities, we suggest a multi-level approach combining DNA-based and DNA-independent techniques. The identified weaknesses of commonly used methods to study microbial diversity can be overcome by a multi-level approach, which produces more reliable data about the fate and behaviour of microbial communities of engineered habitats such as biogas plants, so that the best performance can be ensured. © 2016 The Society for Applied Microbiology.

Sustainability and durability analysis of reinforced concrete structures

NASA Astrophysics Data System (ADS)

Horáková, A.; Broukalová, I.; Kohoutková, A.; Vašková, J.

2017-09-01

The article describes an assessment of reinforced concrete structures in terms of durability and sustainable development. There is a short summary of findings from the literature on evaluation methods for environmental impacts and also about corrosive influences acting on the reinforced concrete structure, about factors influencing the durability of these structures and mathematical models describing the corrosion impacts. Variant design of reinforced concrete structure and assessment of these variants in terms of durability and sustainability was performed. The analysed structure was a concrete ceiling structure of a parking house for cars. The variants differ in strength class of concrete and thickness of concrete slab. It was found that in terms of durability and sustainable development it is significantly preferable to use higher class of concrete. There are significant differences in results of concrete structures durability for different mathematical models of corrosive influences.

Impact of censoring on learning Bayesian networks in survival modelling.

PubMed

Stajduhar, Ivan; Dalbelo-Basić, Bojana; Bogunović, Nikola

2009-11-01

Bayesian networks are commonly used for presenting uncertainty and covariate interactions in an easily interpretable way. Because of their efficient inference and ability to represent causal relationships, they are an excellent choice for medical decision support systems in diagnosis, treatment, and prognosis. Although good procedures for learning Bayesian networks from data have been defined, their performance in learning from censored survival data has not been widely studied. In this paper, we explore how to use these procedures to learn about possible interactions between prognostic factors and their influence on the variate of interest. We study how censoring affects the probability of learning correct Bayesian network structures. Additionally, we analyse the potential usefulness of the learnt models for predicting the time-independent probability of an event of interest. We analysed the influence of censoring with a simulation on synthetic data sampled from randomly generated Bayesian networks. We used two well-known methods for learning Bayesian networks from data: a constraint-based method and a score-based method. We compared the performance of each method under different levels of censoring to those of the naive Bayes classifier and the proportional hazards model. We did additional experiments on several datasets from real-world medical domains. The machine-learning methods treated censored cases in the data as event-free. We report and compare results for several commonly used model evaluation metrics. On average, the proportional hazards method outperformed other methods in most censoring setups. As part of the simulation study, we also analysed structural similarities of the learnt networks. Heavy censoring, as opposed to no censoring, produces up to a 5% surplus and up to 10% missing total arcs. It also produces up to 50% missing arcs that should originally be connected to the variate of interest. Presented methods for learning Bayesian networks from data can be used to learn from censored survival data in the presence of light censoring (up to 20%) by treating censored cases as event-free. Given intermediate or heavy censoring, the learnt models become tuned to the majority class and would thus require a different approach.

First Order Reliability Application and Verification Methods for Semistatic Structures

NASA Technical Reports Server (NTRS)

Verderaime, Vincent

1994-01-01

Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored by conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments, its stress audits are shown to be arbitrary and incomplete, and it compromises high strength materials performance. A reliability method is proposed which combines first order reliability principles with deterministic design variables and conventional test technique to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety index expression. The application is reduced to solving for a factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and with the pace of semistatic structural designs.

solveTruss v1.0: Static, global buckling and frequency analysis of 2D and 3D trusses with Mathematica

NASA Astrophysics Data System (ADS)

Ozbasaran, Hakan

Trusses have an important place amongst engineering structures due to many advantages such as high structural efficiency, fast assembly and easy maintenance. Iterative truss design procedures, which require analysis of a large number of candidate structural systems such as size, shape and topology optimization with stochastic methods, mostly lead the engineer to establish a link between the development platform and external structural analysis software. By increasing number of structural analyses, this (probably slow-response) link may climb to the top of the list of performance issues. This paper introduces a software for static, global member buckling and frequency analysis of 2D and 3D trusses to overcome this problem for Mathematica users.

Dynamic Analyses Including Joints Of Truss Structures

NASA Technical Reports Server (NTRS)

Belvin, W. Keith

1991-01-01

Method for mathematically modeling joints to assess influences of joints on dynamic response of truss structures developed in study. Only structures with low-frequency oscillations considered; only Coulomb friction and viscous damping included in analysis. Focus of effort to obtain finite-element mathematical models of joints exhibiting load-vs.-deflection behavior similar to measured load-vs.-deflection behavior of real joints. Experiments performed to determine stiffness and damping nonlinearities typical of joint hardware. Algorithm for computing coefficients of analytical joint models based on test data developed to enable study of linear and nonlinear effects of joints on global structural response. Besides intended application to large space structures, applications in nonaerospace community include ground-based antennas and earthquake-resistant steel-framed buildings.

Evaluation of the electrical conductivity and corrosion resistance for layers deposited via sputtering on stainless steel

NASA Astrophysics Data System (ADS)

Blanco, J.; Salas, Y.; Jiménez, C.; Pineda, Y.; Bustamante, A.

2017-12-01

In some Engineering fields, we need that conductive materials have a mechanic performance and specific electrical for that they maintain conditions or corrosive attack if they are in the environment or if they are closed structure. The stainless steels have an inert film on their surface and it has the function to act in contrast to external agents who generates the corrosion, especially for stings, spoiling the film until to fail. We found a solution taking into account the electrical performance and the anticorrosive; into the process we put recovering of specific oxides on, stainless steel using the method of sputtering with Unbalanced Magnetron, (UBM) varying the oxygen in the reactive environment. The coating obtained had a thickness one micron approximately and we saw on serious structural uniformity [1]. The corrosion resistance was evaluated through the potentiodynamics polarization and electrochemical spectroscopy impedance in NACL according to the standard. The cathode protection is the most important method employed for the corrosion prevention of metallic structures in the soil or immersed on the water. The electrical resistivity was evaluated with the four points methods and it showed a behaviour of diode type in some substrates with a threshold potential in several volts. We noticed a simple resistance solution when it was analysed in the Nyquist graphics whit the Electrochemical Impedance Spectroscopy technique. With on equivalent circuit, for this reason we determinate a variation in the corrosion speed in almost two orders of magnitude when we analysed the potentiodynamics curve by Tafel approximation. The data obtained and analysed show that this type of surface modification maintains the conductivity condition at the interface, improving the resistance in relation whit the corrosion of these elements where the recovering allowed the ionic flow wished for overcoming threshold voltage, acting as an insulator in different cases.

The Association of PTSD Symptom Severity with Localized Hippocampus and Amygdala Abnormalities

PubMed Central

Akiki, Teddy J.; Averill, Christopher L.; Wrocklage, Kristen M.; Schweinsburg, Brian; Scott, J. Cobb; Martini, Brenda; Averill, Lynnette A.; Southwick, Steven M.; Krystal, John H.; Abdallah, Chadi G.

2017-01-01

Background The hippocampus and amygdala have been repeatedly implicated in the psychopathology of posttraumatic stress disorder (PTSD). While numerous structural neuroimaging studies examined these two structures in PTSD, these analyses have largely been limited to volumetric measures. Recent advances in vertex-based neuroimaging methods have made it possible to identify specific locations of subtle morphometric changes within a structure of interest. Methods In this cross-sectional study, we used high-resolution magnetic resonance imaging to examine the relationship between PTSD symptomatology, as measured using the Clinician Administered PTSD Scale for the DSM-IV (CAPS), and structural shape of the hippocampus and amygdala using vertex-wise shape analyses in a group of combat-exposed US Veterans (N = 69). Results Following correction for multiple comparisons and controlling for age and cranial volume, we found that participants with more severe PTSD symptoms showed an indentation in the anterior half of the right hippocampus and an indentation in the dorsal region of the right amygdala (corresponding to the centromedial amygdala). Post hoc analysis using stepwise regression suggest that among PTSD symptom clusters, arousal symptoms explain most of the variance in the hippocampal abnormality, whereas re-experiencing symptoms explain most of the variance in the amygdala abnormality. Conclusion The results provide evidence of localized abnormalities in the anterior hippocampus and centromedial amygdala in combat-exposed US Veterans suffering from PTSD symptoms. This novel finding provides a more fine-grained analysis of structural abnormalities in PTSD and may be informative for understanding the neurobiology of the disorder. PMID:28825050

Hierarchical temporal structure in music, speech and animal vocalizations: jazz is like a conversation, humpbacks sing like hermit thrushes.

PubMed

Kello, Christopher T; Bella, Simone Dalla; Médé, Butovens; Balasubramaniam, Ramesh

2017-10-01

Humans talk, sing and play music. Some species of birds and whales sing long and complex songs. All these behaviours and sounds exhibit hierarchical structure-syllables and notes are positioned within words and musical phrases, words and motives in sentences and musical phrases, and so on. We developed a new method to measure and compare hierarchical temporal structures in speech, song and music. The method identifies temporal events as peaks in the sound amplitude envelope, and quantifies event clustering across a range of timescales using Allan factor (AF) variance. AF variances were analysed and compared for over 200 different recordings from more than 16 different categories of signals, including recordings of speech in different contexts and languages, musical compositions and performances from different genres. Non-human vocalizations from two bird species and two types of marine mammals were also analysed for comparison. The resulting patterns of AF variance across timescales were distinct to each of four natural categories of complex sound: speech, popular music, classical music and complex animal vocalizations. Comparisons within and across categories indicated that nested clustering in longer timescales was more prominent when prosodic variation was greater, and when sounds came from interactions among individuals, including interactions between speakers, musicians, and even killer whales. Nested clustering also was more prominent for music compared with speech, and reflected beat structure for popular music and self-similarity across timescales for classical music. In summary, hierarchical temporal structures reflect the behavioural and social processes underlying complex vocalizations and musical performances. © 2017 The Author(s).

EVALUATIONS ON ASR DAMAGE OF CONCRETE STRUCTURE AND ITS STRUCTURAL PERFORMANCE

NASA Astrophysics Data System (ADS)

Ueda, Naoshi; Nakamura, Hikaru; Kunieda, Minoru; Maeno, Hirofumi; Morishit, Noriaki; Asai, Hiroshi

In this paper, experiments and finite element analyses were conducted in order to evaluate effects of ASR on structural performance of RC and PC structures. From the experimental results, it was confirmed that the ASR expansion was affected by the restraint of reinforcement and the magnitude of prestress. The material properties of concrete damaged by ASR had anisotropic characteristics depending on the degree of ASR expansion. Therefore, when the structural performance of RC and PC structures were evaluated by using the material properties of core concrete, the direction and place where cylinder specimens were cored should be considered. On the other hand, by means of proposed analytical method, ASR expansion behaviors of RC and PC beams and changing of their structural performance were evaluated. As the results, it was confirmed that PC structure had much advantage comparing with RC structure regarding the structural performance under ASR damage because of restraint by prestress against the ASR.

ODE Constrained Mixture Modelling: A Method for Unraveling Subpopulation Structures and Dynamics

PubMed Central

Hasenauer, Jan; Hasenauer, Christine; Hucho, Tim; Theis, Fabian J.

2014-01-01

Functional cell-to-cell variability is ubiquitous in multicellular organisms as well as bacterial populations. Even genetically identical cells of the same cell type can respond differently to identical stimuli. Methods have been developed to analyse heterogeneous populations, e.g., mixture models and stochastic population models. The available methods are, however, either incapable of simultaneously analysing different experimental conditions or are computationally demanding and difficult to apply. Furthermore, they do not account for biological information available in the literature. To overcome disadvantages of existing methods, we combine mixture models and ordinary differential equation (ODE) models. The ODE models provide a mechanistic description of the underlying processes while mixture models provide an easy way to capture variability. In a simulation study, we show that the class of ODE constrained mixture models can unravel the subpopulation structure and determine the sources of cell-to-cell variability. In addition, the method provides reliable estimates for kinetic rates and subpopulation characteristics. We use ODE constrained mixture modelling to study NGF-induced Erk1/2 phosphorylation in primary sensory neurones, a process relevant in inflammatory and neuropathic pain. We propose a mechanistic pathway model for this process and reconstructed static and dynamical subpopulation characteristics across experimental conditions. We validate the model predictions experimentally, which verifies the capabilities of ODE constrained mixture models. These results illustrate that ODE constrained mixture models can reveal novel mechanistic insights and possess a high sensitivity. PMID:24992156

WEBnm@ v2.0: Web server and services for comparing protein flexibility.

PubMed

Tiwari, Sandhya P; Fuglebakk, Edvin; Hollup, Siv M; Skjærven, Lars; Cragnolini, Tristan; Grindhaug, Svenn H; Tekle, Kidane M; Reuter, Nathalie

2014-12-30

Normal mode analysis (NMA) using elastic network models is a reliable and cost-effective computational method to characterise protein flexibility and by extension, their dynamics. Further insight into the dynamics-function relationship can be gained by comparing protein motions between protein homologs and functional classifications. This can be achieved by comparing normal modes obtained from sets of evolutionary related proteins. We have developed an automated tool for comparative NMA of a set of pre-aligned protein structures. The user can submit a sequence alignment in the FASTA format and the corresponding coordinate files in the Protein Data Bank (PDB) format. The computed normalised squared atomic fluctuations and atomic deformation energies of the submitted structures can be easily compared on graphs provided by the web user interface. The web server provides pairwise comparison of the dynamics of all proteins included in the submitted set using two measures: the Root Mean Squared Inner Product and the Bhattacharyya Coefficient. The Comparative Analysis has been implemented on our web server for NMA, WEBnm@, which also provides recently upgraded functionality for NMA of single protein structures. This includes new visualisations of protein motion, visualisation of inter-residue correlations and the analysis of conformational change using the overlap analysis. In addition, programmatic access to WEBnm@ is now available through a SOAP-based web service. Webnm@ is available at http://apps.cbu.uib.no/webnma . WEBnm@ v2.0 is an online tool offering unique capability for comparative NMA on multiple protein structures. Along with a convenient web interface, powerful computing resources, and several methods for mode analyses, WEBnm@ facilitates the assessment of protein flexibility within protein families and superfamilies. These analyses can give a good view of how the structures move and how the flexibility is conserved over the different structures.

Critical Zone structure inferred from multiscale near surface geophysical and hydrological data across hillslopes at the Eel River CZO

NASA Astrophysics Data System (ADS)

Lee, S. S.; Rempe, D. M.; Holbrook, W. S.; Schmidt, L.; Hahm, W. J.; Dietrich, W. E.

2017-12-01

Except for boreholes and road cut, landslide, and quarry exposures, the subsurface structure of the critical zone (CZ) of weathered bedrock is relatively invisible and unmapped, yet this structure controls the short and long term fluxes of water and solutes. Non-invasive geophysical methods such as seismic refraction are widely applied to image the structure of the CZ at the hillslope scale. However, interpretations of such data are often limited due to heterogeneity and anisotropy contributed from fracturing, moisture content, and mineralogy on the seismic signal. We develop a quantitative framework for using seismic refraction tomography from intersecting geophysical surveys and hydrologic data obtained at the Eel River Critical Zone Observatory (ERCZO) in Northern California to help quantify the nature of subsurface structure across multiple hillslopes of varying topography in the area. To enhance our understanding of modeled velocity gradients and boundaries in relation to lithological properties, we compare refraction tomography results with borehole logs of nuclear magnetic resonance (NMR), gamma and neutron density, standard penetration testing, and observation drilling logs. We also incorporate laboratory scale rock characterization including mineralogical and elemental analyses as well as porosity and density measurements made via pycnometry, helium and mercury porosimetry, and laboratory scale NMR. We evaluate the sensitivity of seismically inferred saprolite-weathered bedrock and weathered-unweathered bedrock boundaries to various velocity and inversion parameters in relation with other macro scale processes such as gravitational and tectonic forces in influencing weathered bedrock velocities. Together, our sensitivity analyses and multi-method data comparison provide insight into the interpretation of seismic refraction tomography for the quantification of CZ structure and hydrologic dynamics.

Multimodal Investigation of Network Level Effects Using Intrinsic Functional Connectivity, Anatomical Covariance, and Structure-to-Function Correlations in Unmedicated Major Depressive Disorder

PubMed Central

Scheinost, Dustin; Holmes, Sophie E; DellaGioia, Nicole; Schleifer, Charlie; Matuskey, David; Abdallah, Chadi G; Hampson, Michelle; Krystal, John H; Anticevic, Alan; Esterlis, Irina

2018-01-01

Converging evidence suggests that major depressive disorder (MDD) affects multiple large-scale brain networks. Analyses of the correlation or covariance of regional brain structure and function applied to structural and functional MRI data may provide insights into systems-level organization and structure-to-function correlations in the brain in MDD. This study applied tensor-based morphometry and intrinsic connectivity distribution to identify regions of altered volume and intrinsic functional connectivity in data from unmedicated individuals with MDD (n=17) and healthy comparison participants (HC, n=20). These regions were then used as seeds for exploratory anatomical covariance and connectivity analyses. Reduction in volume in the anterior cingulate cortex (ACC) and lower structural covariance between the ACC and the cerebellum were observed in the MDD group. Additionally, individuals with MDD had significantly lower whole-brain intrinsic functional connectivity in the medial prefrontal cortex (mPFC). This mPFC region showed altered connectivity to the ventral lateral PFC (vlPFC) and local circuitry in MDD. Global connectivity in the ACC was negatively correlated with reported depressive symptomatology. The mPFC–vlPFC connectivity was positively correlated with depressive symptoms. Finally, we observed increased structure-to-function correlation in the PFC/ACC in the MDD group. Although across all analysis methods and modalities alterations in the PFC/ACC were a common finding, each modality and method detected alterations in subregions belonging to distinct large-scale brain networks. These exploratory results support the hypothesis that MDD is a systems level disorder affecting multiple brain networks located in the PFC and provide new insights into the pathophysiology of this disorder. PMID:28944772

Multimodal Investigation of Network Level Effects Using Intrinsic Functional Connectivity, Anatomical Covariance, and Structure-to-Function Correlations in Unmedicated Major Depressive Disorder.

PubMed

Scheinost, Dustin; Holmes, Sophie E; DellaGioia, Nicole; Schleifer, Charlie; Matuskey, David; Abdallah, Chadi G; Hampson, Michelle; Krystal, John H; Anticevic, Alan; Esterlis, Irina

2018-04-01

Converging evidence suggests that major depressive disorder (MDD) affects multiple large-scale brain networks. Analyses of the correlation or covariance of regional brain structure and function applied to structural and functional MRI data may provide insights into systems-level organization and structure-to-function correlations in the brain in MDD. This study applied tensor-based morphometry and intrinsic connectivity distribution to identify regions of altered volume and intrinsic functional connectivity in data from unmedicated individuals with MDD (n=17) and healthy comparison participants (HC, n=20). These regions were then used as seeds for exploratory anatomical covariance and connectivity analyses. Reduction in volume in the anterior cingulate cortex (ACC) and lower structural covariance between the ACC and the cerebellum were observed in the MDD group. Additionally, individuals with MDD had significantly lower whole-brain intrinsic functional connectivity in the medial prefrontal cortex (mPFC). This mPFC region showed altered connectivity to the ventral lateral PFC (vlPFC) and local circuitry in MDD. Global connectivity in the ACC was negatively correlated with reported depressive symptomatology. The mPFC-vlPFC connectivity was positively correlated with depressive symptoms. Finally, we observed increased structure-to-function correlation in the PFC/ACC in the MDD group. Although across all analysis methods and modalities alterations in the PFC/ACC were a common finding, each modality and method detected alterations in subregions belonging to distinct large-scale brain networks. These exploratory results support the hypothesis that MDD is a systems level disorder affecting multiple brain networks located in the PFC and provide new insights into the pathophysiology of this disorder.

System reliability approaches for advanced propulsion system structures

NASA Technical Reports Server (NTRS)

Cruse, T. A.; Mahadevan, S.

1991-01-01

This paper identifies significant issues that pertain to the estimation and use of system reliability in the design of advanced propulsion system structures. Linkages between the reliabilities of individual components and their effect on system design issues such as performance, cost, availability, and certification are examined. The need for system reliability computation to address the continuum nature of propulsion system structures and synergistic progressive damage modes has been highlighted. Available system reliability models are observed to apply only to discrete systems. Therefore a sequential structural reanalysis procedure is formulated to rigorously compute the conditional dependencies between various failure modes. The method is developed in a manner that supports both top-down and bottom-up analyses in system reliability.

Size exclusion chromatography for analyses of fibroin in silk: optimization of sampling and separation conditions

NASA Astrophysics Data System (ADS)

Pawcenis, Dominika; Koperska, Monika A.; Milczarek, Jakub M.; Łojewski, Tomasz; Łojewska, Joanna

2014-02-01

A direct goal of this paper was to improve the methods of sample preparation and separation for analyses of fibroin polypeptide with the use of size exclusion chromatography (SEC). The motivation for the study arises from our interest in natural polymers included in historic textile and paper artifacts, and is a logical response to the urgent need for developing rationale-based methods for materials conservation. The first step is to develop a reliable analytical tool which would give insight into fibroin structure and its changes caused by both natural and artificial ageing. To investigate the influence of preparation conditions, two sets of artificially aged samples were prepared (with and without NaCl in sample solution) and measured by the means of SEC with multi angle laser light scattering detector. It was shown that dialysis of fibroin dissolved in LiBr solution allows removal of the salt which destroys stacks chromatographic columns and prevents reproducible analyses. Salt rich (NaCl) water solutions of fibroin improved the quality of chromatograms.

Sampling the structure and chemical order in assemblies of ferromagnetic nanoparticles by nuclear magnetic resonance

PubMed Central

Liu, Yuefeng; Luo, Jingjie; Shin, Yooleemi; Moldovan, Simona; Ersen, Ovidiu; Hébraud, Anne; Schlatter, Guy; Pham-Huu, Cuong; Meny, Christian

2016-01-01

Assemblies of nanoparticles are studied in many research fields from physics to medicine. However, as it is often difficult to produce mono-dispersed particles, investigating the key parameters enhancing their efficiency is blurred by wide size distributions. Indeed, near-field methods analyse a part of the sample that might not be representative of the full size distribution and macroscopic methods give average information including all particle sizes. Here, we introduce temperature differential ferromagnetic nuclear resonance spectra that allow sampling the crystallographic structure, the chemical composition and the chemical order of non-interacting ferromagnetic nanoparticles for specific size ranges within their size distribution. The method is applied to cobalt nanoparticles for catalysis and allows extracting the size effect from the crystallographic structure effect on their catalytic activity. It also allows sampling of the chemical composition and chemical order within the size distribution of alloyed nanoparticles and can thus be useful in many research fields. PMID:27156575

High-Throughput, Data-Rich Cellular RNA Device Engineering

PubMed Central

Townshend, Brent; Kennedy, Andrew B.; Xiang, Joy S.; Smolke, Christina D.

2015-01-01

Methods for rapidly assessing sequence-structure-function landscapes and developing conditional gene-regulatory devices are critical to our ability to manipulate and interface with biology. We describe a framework for engineering RNA devices from preexisting aptamers that exhibit ligand-responsive ribozyme tertiary interactions. Our methodology utilizes cell sorting, high-throughput sequencing, and statistical data analyses to enable parallel measurements of the activities of hundreds of thousands of sequences from RNA device libraries in the absence and presence of ligands. Our tertiary interaction RNA devices exhibit improved performance in terms of gene silencing, activation ratio, and ligand sensitivity as compared to optimized RNA devices that rely on secondary structure changes. We apply our method to building biosensors for diverse ligands and determine consensus sequences that enable ligand-responsive tertiary interactions. These methods advance our ability to develop broadly applicable genetic tools and to elucidate understanding of the underlying sequence-structure-function relationships that empower rational design of complex biomolecules. PMID:26258292

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.

TAP 2: A finite element program for thermal analysis of convectively cooled structures

NASA Technical Reports Server (NTRS)

Thornton, E. A.

1980-01-01

A finite element computer program (TAP 2) for steady-state and transient thermal analyses of convectively cooled structures is presented. The program has a finite element library of six elements: two conduction/convection elements to model heat transfer in a solid, two convection elements to model heat transfer in a fluid, and two integrated conduction/convection elements to represent combined heat transfer in tubular and plate/fin fluid passages. Nonlinear thermal analysis due to temperature-dependent thermal parameters is performed using the Newton-Raphson iteration method. Transient analyses are performed using an implicit Crank-Nicolson time integration scheme with consistent or lumped capacitance matrices as an option. Program output includes nodal temperatures and element heat fluxes. Pressure drops in fluid passages may be computed as an option. User instructions and sample problems are presented in appendixes.

Building and degradation of secondary cell walls: are there common patterns of lamellar assembly of cellulose microfibrils and cell wall delamination?

PubMed

De Micco, Veronica; Ruel, Katia; Joseleau, Jean-Paul; Aronne, Giovanna

2010-08-01

During cell wall formation and degradation, it is possible to detect cellulose microfibrils assembled into thicker and thinner lamellar structures, respectively, following inverse parallel patterns. The aim of this study was to analyse such patterns of microfibril aggregation and cell wall delamination. The thickness of microfibrils and lamellae was measured on digital images of both growing and degrading cell walls viewed by means of transmission electron microscopy. To objectively detect, measure and classify microfibrils and lamellae into thickness classes, a method based on the application of computerized image analysis combined with graphical and statistical methods was developed. The method allowed common classes of microfibrils and lamellae in cell walls to be identified from different origins. During both the formation and degradation of cell walls, a preferential formation of structures with specific thickness was evidenced. The results obtained with the developed method allowed objective analysis of patterns of microfibril aggregation and evidenced a trend of doubling/halving lamellar structures, during cell wall formation/degradation in materials from different origin and which have undergone different treatments.

Polish adaptation of three self-report measures of job stressors: the Interpersonal Conflict at Work Scale, the Quantitative Workload Inventory and the Organizational Constraints Scale.

PubMed

Baka, Łukasz; Bazińska, Róża

2016-01-01

The objective of the present study was to test the psychometric properties, reliability and validity of three job stressor measures, namely, the Interpersonal Conflict at Work Scale, the Organizational Constraints Scale and the Quantitative Workload Inventory. The study was conducted on two samples (N = 382 and 3368) representing a wide range of occupations. The estimation of internal consistency with Cronbach's α and the test-retest method as well as both exploratory and confirmatory factor analyses were the main statistical methods. The internal consistency of the scales proved satisfactory, ranging from 0.80 to 0.90 for Cronbach's α test and from 0.72 to 0.86 for the test-retest method. The one-dimensional structure of the three measurements was confirmed. The three scales have acceptable fit to the data. The one-factor structures and other psychometric properties of the Polish version of the scales seem to be similar to those found in the US version of the scales. It was also proved that the three job stressors are positively related to all the job strain measures. The Polish versions of the three analysed scales can be used to measure the job stressors in Polish conditions.

Method for determining the composition and orientation of III-V {001} semiconductor surfaces

NASA Astrophysics Data System (ADS)

Sung, M. M.; Kim, C.; Rabalais, J. W.

1996-09-01

A method for determining the composition and orientation of III-V {001} semiconductor surfaces is presented and applications are described. The information is obtained from the techniques of time-of-flight scattering and recoiling spectrometry (TOF-SARS), using the composition from azimuth-specific elemental accessibilities (CASEA) method, and low energy electron diffraction (LEED). The azimuth-specific elemental accessibilities (ASEA) are measured experimentally and calculated from the number of accessible atoms in the unit cell and from three-dimensional trajectory simulations using the SARIC program. The in situ analyses identify the 1st-layer elemental species and determine the orientation of the reconstructed surface symmetry elements with respect to the bulk crystallographic directions. This is demonstrated for the III-V {001} compound semiconductor surfaces of GaAs and InAs in the (4 × 2) and (4 × 2) phases and InP in the (4 × 2) phase. The analyses confirm the missing-row-dimer (MRD) structure for GaAs and InAs in which the missing row direction is parallel to the direction of the 1st-layer multimers (dimers) and the missing-row-trimer-dimer (MRTD) structure for InP in which the missing row direction is perpendicular to the direction of the 1st-layer multimers (trimers).

Conceptual Design Oriented Wing Structural Analysis and Optimization

NASA Technical Reports Server (NTRS)

Lau, May Yuen

1996-01-01

Airplane optimization has always been the goal of airplane designers. In the conceptual design phase, a designer's goal could be tradeoffs between maximum structural integrity, minimum aerodynamic drag, or maximum stability and control, many times achieved separately. Bringing all of these factors into an iterative preliminary design procedure was time consuming, tedious, and not always accurate. For example, the final weight estimate would often be based upon statistical data from past airplanes. The new design would be classified based on gross characteristics, such as number of engines, wingspan, etc., to see which airplanes of the past most closely resembled the new design. This procedure works well for conventional airplane designs, but not very well for new innovative designs. With the computing power of today, new methods are emerging for the conceptual design phase of airplanes. Using finite element methods, computational fluid dynamics, and other computer techniques, designers can make very accurate disciplinary-analyses of an airplane design. These tools are computationally intensive, and when used repeatedly, they consume a great deal of computing time. In order to reduce the time required to analyze a design and still bring together all of the disciplines (such as structures, aerodynamics, and controls) into the analysis, simplified design computer analyses are linked together into one computer program. These design codes are very efficient for conceptual design. The work in this thesis is focused on a finite element based conceptual design oriented structural synthesis capability (CDOSS) tailored to be linked into ACSYNT.

Direct methods in protein crystallography.

PubMed

Karle, J

1989-11-01

It is pointed out that the 'direct methods' of phase determination for small-structure crystallography do not have immediate applicability to macromolecular structures. The term 'direct methods in macromolecular crystallography' is suggested to categorize a spectrum of approaches to macromolecular structure determination in which the analyses are characterized by the use of two-phase and higher-order-phase invariants. The evaluation of the invariants is generally obtained by the use of heavy-atom techniques. The results of a number of the more recent algebraic and probabilistic studies involving isomorphous replacement and anomalous dispersion thus become valid subjects for discussion here. These studies are described and suggestions are also presented concerning future applicability. Additional discussion concerns the special techniques of filtering, the use of non-crystallographic symmetry, some features of maximum entropy and attempts to apply phase-determining formulas to the refinement of macromolecular structure. It is noted that, in addition to the continuing remarkable progress in macromolecular crystallography based on the traditional applications of isomorphous replacement and anomalous dispersion, recent valuable advances have been made in the application of non-crystallographic symmetry, in particular, to virus structures and in applications of filtering. Good progress has also been reported in the application of exact linear algebra to multiple-wavelength anomalous-dispersion investigations of structures containing anomalous scatterers of only moderate scattering power.

Uncertainty Analyses for Back Projection Methods

NASA Astrophysics Data System (ADS)

Zeng, H.; Wei, S.; Wu, W.

2017-12-01

So far few comprehensive error analyses for back projection methods have been conducted, although it is evident that high frequency seismic waves can be easily affected by earthquake depth, focal mechanisms and the Earth's 3D structures. Here we perform 1D and 3D synthetic tests for two back projection methods, MUltiple SIgnal Classification (MUSIC) (Meng et al., 2011) and Compressive Sensing (CS) (Yao et al., 2011). We generate synthetics for both point sources and finite rupture sources with different depths, focal mechanisms, as well as 1D and 3D structures in the source region. The 3D synthetics are generated through a hybrid scheme of Direct Solution Method and Spectral Element Method. Then we back project the synthetic data using MUSIC and CS. The synthetic tests show that the depth phases can be back projected as artificial sources both in space and time. For instance, for a source depth of 10km, back projection gives a strong signal 8km away from the true source. Such bias increases with depth, e.g., the error of horizontal location could be larger than 20km for a depth of 40km. If the array is located around the nodal direction of direct P-waves the teleseismic P-waves are dominated by the depth phases. Therefore, back projections are actually imaging the reflection points of depth phases more than the rupture front. Besides depth phases, the strong and long lasted coda waves due to 3D effects near trench can lead to additional complexities tested here. The strength contrast of different frequency contents in the rupture models also produces some variations to the back projection results. In the synthetic tests, MUSIC and CS derive consistent results. While MUSIC is more computationally efficient, CS works better for sparse arrays. In summary, our analyses indicate that the impact of various factors mentioned above should be taken into consideration when interpreting back projection images, before we can use them to infer the earthquake rupture physics.

Inferring Population Genetic Structure in Widely and Continuously Distributed Carnivores: The Stone Marten (Martes foina) as a Case Study

PubMed Central

Vergara, María; Basto, Mafalda P.; Madeira, María José; Gómez-Moliner, Benjamín J.; Santos-Reis, Margarida; Fernandes, Carlos; Ruiz-González, Aritz

2015-01-01

The stone marten is a widely distributed mustelid in the Palaearctic region that exhibits variable habitat preferences in different parts of its range. The species is a Holocene immigrant from southwest Asia which, according to fossil remains, followed the expansion of the Neolithic farming cultures into Europe and possibly colonized the Iberian Peninsula during the Early Neolithic (ca. 7,000 years BP). However, the population genetic structure and historical biogeography of this generalist carnivore remains essentially unknown. In this study we have combined mitochondrial DNA (mtDNA) sequencing (621 bp) and microsatellite genotyping (23 polymorphic markers) to infer the population genetic structure of the stone marten within the Iberian Peninsula. The mtDNA data revealed low haplotype and nucleotide diversities and a lack of phylogeographic structure, most likely due to a recent colonization of the Iberian Peninsula by a few mtDNA lineages during the Early Neolithic. The microsatellite data set was analysed with a) spatial and non-spatial Bayesian individual-based clustering (IBC) approaches (STRUCTURE, TESS, BAPS and GENELAND), and b) multivariate methods [discriminant analysis of principal components (DAPC) and spatial principal component analysis (sPCA)]. Additionally, because isolation by distance (IBD) is a common spatial genetic pattern in mobile and continuously distributed species and it may represent a challenge to the performance of the above methods, the microsatellite data set was tested for its presence. Overall, the genetic structure of the stone marten in the Iberian Peninsula was characterized by a NE-SW spatial pattern of IBD, and this may explain the observed disagreement between clustering solutions obtained by the different IBC methods. However, there was significant indication for contemporary genetic structuring, albeit weak, into at least three different subpopulations. The detected subdivision could be attributed to the influence of the rivers Ebro, Tagus and Guadiana, suggesting that main watercourses in the Iberian Peninsula may act as semi-permeable barriers to gene flow in stone martens. To our knowledge, this is the first phylogeographic and population genetic study of the species at a broad regional scale. We also wanted to make the case for the importance and benefits of using and comparing multiple different clustering and multivariate methods in spatial genetic analyses of mobile and continuously distributed species. PMID:26222680

Inferring Population Genetic Structure in Widely and Continuously Distributed Carnivores: The Stone Marten (Martes foina) as a Case Study.

PubMed

Vergara, María; Basto, Mafalda P; Madeira, María José; Gómez-Moliner, Benjamín J; Santos-Reis, Margarida; Fernandes, Carlos; Ruiz-González, Aritz

2015-01-01

The stone marten is a widely distributed mustelid in the Palaearctic region that exhibits variable habitat preferences in different parts of its range. The species is a Holocene immigrant from southwest Asia which, according to fossil remains, followed the expansion of the Neolithic farming cultures into Europe and possibly colonized the Iberian Peninsula during the Early Neolithic (ca. 7,000 years BP). However, the population genetic structure and historical biogeography of this generalist carnivore remains essentially unknown. In this study we have combined mitochondrial DNA (mtDNA) sequencing (621 bp) and microsatellite genotyping (23 polymorphic markers) to infer the population genetic structure of the stone marten within the Iberian Peninsula. The mtDNA data revealed low haplotype and nucleotide diversities and a lack of phylogeographic structure, most likely due to a recent colonization of the Iberian Peninsula by a few mtDNA lineages during the Early Neolithic. The microsatellite data set was analysed with a) spatial and non-spatial Bayesian individual-based clustering (IBC) approaches (STRUCTURE, TESS, BAPS and GENELAND), and b) multivariate methods [discriminant analysis of principal components (DAPC) and spatial principal component analysis (sPCA)]. Additionally, because isolation by distance (IBD) is a common spatial genetic pattern in mobile and continuously distributed species and it may represent a challenge to the performance of the above methods, the microsatellite data set was tested for its presence. Overall, the genetic structure of the stone marten in the Iberian Peninsula was characterized by a NE-SW spatial pattern of IBD, and this may explain the observed disagreement between clustering solutions obtained by the different IBC methods. However, there was significant indication for contemporary genetic structuring, albeit weak, into at least three different subpopulations. The detected subdivision could be attributed to the influence of the rivers Ebro, Tagus and Guadiana, suggesting that main watercourses in the Iberian Peninsula may act as semi-permeable barriers to gene flow in stone martens. To our knowledge, this is the first phylogeographic and population genetic study of the species at a broad regional scale. We also wanted to make the case for the importance and benefits of using and comparing multiple different clustering and multivariate methods in spatial genetic analyses of mobile and continuously distributed species.

Systematic methodological review: developing a framework for a qualitative semi-structured interview guide.

PubMed

Kallio, Hanna; Pietilä, Anna-Maija; Johnson, Martin; Kangasniemi, Mari

2016-12-01

To produce a framework for the development of a qualitative semi-structured interview guide. Rigorous data collection procedures fundamentally influence the results of studies. The semi-structured interview is a common data collection method, but methodological research on the development of a semi-structured interview guide is sparse. Systematic methodological review. We searched PubMed, CINAHL, Scopus and Web of Science for methodological papers on semi-structured interview guides from October 2004-September 2014. Having examined 2,703 titles and abstracts and 21 full texts, we finally selected 10 papers. We analysed the data using the qualitative content analysis method. Our analysis resulted in new synthesized knowledge on the development of a semi-structured interview guide, including five phases: (1) identifying the prerequisites for using semi-structured interviews; (2) retrieving and using previous knowledge; (3) formulating the preliminary semi-structured interview guide; (4) pilot testing the guide; and (5) presenting the complete semi-structured interview guide. Rigorous development of a qualitative semi-structured interview guide contributes to the objectivity and trustworthiness of studies and makes the results more plausible. Researchers should consider using this five-step process to develop a semi-structured interview guide and justify the decisions made during it. © 2016 John Wiley & Sons Ltd.

Static aeroelastic analysis and tailoring of a single-element racing car wing

NASA Astrophysics Data System (ADS)

Sadd, Christopher James

This thesis presents the research from an Engineering Doctorate research programme in collaboration with Reynard Motorsport Ltd, a manufacturer of racing cars. Racing car wing design has traditionally considered structures to be rigid. However, structures are never perfectly rigid and the interaction between aerodynamic loading and structural flexibility has a direct impact on aerodynamic performance. This interaction is often referred to as static aeroelasticity and the focus of this research has been the development of a computational static aeroelastic analysis method to improve the design of a single-element racing car wing. A static aeroelastic analysis method has been developed by coupling a Reynolds-Averaged Navier-Stokes CFD analysis method with a Finite Element structural analysis method using an iterative scheme. Development of this method has included assessment of CFD and Finite Element analysis methods and development of data transfer and mesh deflection methods. Experimental testing was also completed to further assess the computational analyses. The computational and experimental results show a good correlation and these studies have also shown that a Navier-Stokes static aeroelastic analysis of an isolated wing can be performed at an acceptable computational cost. The static aeroelastic analysis tool was used to assess methods of tailoring the structural flexibility of the wing to increase its aerodynamic performance. These tailoring methods were then used to produce two final wing designs to increase downforce and reduce drag respectively. At the average operating dynamic pressure of the racing car, the computational analysis predicts that the downforce-increasing wing has a downforce of C[1]=-1.377 in comparison to C[1]=-1.265 for the original wing. The computational analysis predicts that the drag-reducing wing has a drag of C[d]=0.115 in comparison to C[d]=0.143 for the original wing.

Comparison of nitrogen adsorption and transmission electron microscopy analyses for structural characterization of carbon nanotubes

NASA Astrophysics Data System (ADS)

Abbaslou, Reza Malek; Vosoughi, Vahid; Dalai, Ajay K.

2017-10-01

Carbon nanotubes (CNTs) are different from other porous substrates such as activated carbon due to their high external surfaces. This structural feature can lead in some uncertainties in the results of nitrogen adsorption analysis for characterization of CNTs. In this paper, the results of microscopic analyses and nitrogen adsorption method for characterization of carbon nanotubes were compared. Five different types of CNTs with different structures were either synthesized or purchased. The CNT samples were characterized by high resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM) and N2 adsorption analysis. The comparisons between the results from the microscopic analyses and N2 adsorption showed that the total pore volume and BET surface measurements include the internal and external porosity of CNTs. Therefore, the interpretation of N2 adsorption data required accurate TEM analysis. In addition, the evaluation of pore size distribution curves from all CNT samples in this study and several instances in the literature revealed the presence of a common peak in the range of 2-5 nm. This peak does not explain the inner pore size distribution. The presence of this common peak can be attributed to the strong adsorption of N2 on the junction of touched and crossed nanotubes.

Implementation of novel statistical procedures and other advanced approaches to improve analysis of CASA data.

PubMed

Ramón, M; Martínez-Pastor, F

2018-04-23

Computer-aided sperm analysis (CASA) produces a wealth of data that is frequently ignored. The use of multiparametric statistical methods can help explore these datasets, unveiling the subpopulation structure of sperm samples. In this review we analyse the significance of the internal heterogeneity of sperm samples and its relevance. We also provide a brief description of the statistical tools used for extracting sperm subpopulations from the datasets, namely unsupervised clustering (with non-hierarchical, hierarchical and two-step methods) and the most advanced supervised methods, based on machine learning. The former method has allowed exploration of subpopulation patterns in many species, whereas the latter offering further possibilities, especially considering functional studies and the practical use of subpopulation analysis. We also consider novel approaches, such as the use of geometric morphometrics or imaging flow cytometry. Finally, although the data provided by CASA systems provides valuable information on sperm samples by applying clustering analyses, there are several caveats. Protocols for capturing and analysing motility or morphometry should be standardised and adapted to each experiment, and the algorithms should be open in order to allow comparison of results between laboratories. Moreover, we must be aware of new technology that could change the paradigm for studying sperm motility and morphology.

Abstract analysis method facilitates filtering low-methodological quality and high-bias risk systematic reviews on psoriasis interventions.

PubMed

Gómez-García, Francisco; Ruano, Juan; Aguilar-Luque, Macarena; Alcalde-Mellado, Patricia; Gay-Mimbrera, Jesús; Hernández-Romero, José Luis; Sanz-Cabanillas, Juan Luis; Maestre-López, Beatriz; González-Padilla, Marcelino; Carmona-Fernández, Pedro J; García-Nieto, Antonio Vélez; Isla-Tejera, Beatriz

2017-12-29

Article summaries' information and structure may influence researchers/clinicians' decisions to conduct deeper full-text analyses. Specifically, abstracts of systematic reviews (SRs) and meta-analyses (MA) should provide structured summaries for quick assessment. This study explored a method for determining the methodological quality and bias risk of full-text reviews using abstract information alone. Systematic literature searches for SRs and/or MA about psoriasis were undertaken on MEDLINE, EMBASE, and Cochrane database. For each review, quality, abstract-reporting completeness, full-text methodological quality, and bias risk were evaluated using Preferred Reporting Items for Systematic Reviews and Meta-analyses for abstracts (PRISMA-A), Assessing the Methodological Quality of Systematic Reviews (AMSTAR), and ROBIS tools, respectively. Article-, author-, and journal-derived metadata were systematically extracted from eligible studies using a piloted template, and explanatory variables concerning abstract-reporting quality were assessed using univariate and multivariate-regression models. Two classification models concerning SRs' methodological quality and bias risk were developed based on per-item and total PRISMA-A scores and decision-tree algorithms. This work was supported, in part, by project ICI1400136 (JR). No funding was received from any pharmaceutical company. This study analysed 139 SRs on psoriasis interventions. On average, they featured 56.7% of PRISMA-A items. The mean total PRISMA-A score was significantly higher for high-methodological-quality SRs than for moderate- and low-methodological-quality reviews. SRs with low-bias risk showed higher total PRISMA-A values than reviews with high-bias risk. In the final model, only 'authors per review > 6' (OR: 1.098; 95%CI: 1.012-1.194), 'academic source of funding' (OR: 3.630; 95%CI: 1.788-7.542), and 'PRISMA-endorsed journal' (OR: 4.370; 95%CI: 1.785-10.98) predicted PRISMA-A variability. Reviews with a total PRISMA-A score < 6, lacking identification as SR or MA in the title, and lacking explanation concerning bias risk assessment methods were classified as low-methodological quality. Abstracts with a total PRISMA-A score ≥ 9, including main outcomes results and explanation bias risk assessment method were classified as having low-bias risk. The methodological quality and bias risk of SRs may be determined by abstract's quality and completeness analyses. Our proposal aimed to facilitate synthesis of evidence evaluation by clinical professionals lacking methodological skills. External validation is necessary.

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.

The NASA/Industry Design Analysis Methods for Vibrations (DAMVIBS) Program - A government overview. [of rotorcraft technology development using finite element method

NASA Technical Reports Server (NTRS)

Kvaternik, Raymond G.

1992-01-01

An overview is presented of government contributions to the program called Design Analysis Methods for Vibrations (DAMV) which attempted to develop finite-element-based analyses of rotorcraft vibrations. NASA initiated the program with a finite-element modeling program for the CH-47D tandem-rotor helicopter. The DAMV program emphasized four areas including: airframe finite-element modeling, difficult components studies, coupled rotor-airframe vibrations, and airframe structural optimization. Key accomplishments of the program include industrywide standards for modeling metal and composite airframes, improved industrial designs for vibrations, and the identification of critical structural contributors to airframe vibratory responses. The program also demonstrated the value of incorporating secondary modeling details to improving correlation, and the findings provide the basis for an improved finite-element-based dynamics design-analysis capability.

Factor structure and psychometric properties of the trier inventory for chronic stress (TICS) in a representative german sample

PubMed Central

2012-01-01

Background Chronic stress results from an imbalance of personal traits, resources and the demands placed upon an individual by social and occupational situations. This chronic stress can be measured using the Trier Inventory for Chronic Stress (TICS). Aims of the present study are to test the factorial structure of the TICS, report its psychometric properties, and evaluate the influence of gender and age on chronic stress. Methods The TICS was answered by N = 2,339 healthy participants aged 14 to 99. The sample was selected by random-route sampling. Exploratory factor analyses with Oblimin-rotated Principal Axis extraction were calculated. Confirmatory factor analyses applying Robust Maximum Likelihood estimations (MLM) tested model fit and configural invariance as well as the measurement invariance for gender and age. Reliability estimations and effect sizes are reported. Results In the exploratory factor analyses, both a two-factor and a nine-factor model emerged. Confirmatory factor analyses resulted in acceptable model fit (RMSEA), with model comparison fit statistics corroborating the superiority of the nine-factor model. Most factors were moderately to highly intercorrelated. Reliabilities were good to very good. Measurement invariance tests gave evidence for differential effects of gender and age on the factor structure. Furthermore, women and younger individuals, especially those aged 35 to 44, tended to report more chronic stress than men and older individuals. Conclusions The proposed nine-factor structure could be factorially validated, results in good scale reliability, and heuristically can be grouped by two higher-order factors: "High Demands" and "Lack of Satisfaction". Age and gender represent differentiable and meaningful contributors to the perception of chronic stress. PMID:22463771

Analyzing the Thai State Policy on Private Tutoring: The Prevalence of the Market Discourse

ERIC Educational Resources Information Center

Lao, Rattana

2014-01-01

Private tutoring in academic subjects, which is provided for a fee and which takes place outside standard school hours, has become a global phenomenon. It is also very visible in Thailand. This paper draws on qualitative method including documentary analyses and semi-structured interviews with Thai policy elites, to understand the Thai state…

Peer-Driven Justice: Development and Validation of the Teen Court Peer Influence Scale

ERIC Educational Resources Information Center

Smith, Scott; Chonody, Jill M.

2010-01-01

The authors report a validation study of the Teen Court Peer Influence Scale (TCPIS), a newly developed scale, to examine its factor structure, reliability, and evidence of validity. Methods: The scale was disseminated to 202 participants in six teen courts in the state of Florida, and the authors conducted exploratory factor analyses. Content…

Tolerating Uncertainty: Perceptions of the Future for Ageing Parent Carers and Their Adult Children with Intellectual Disabilities

ERIC Educational Resources Information Center

Pryce, Laura; Tweed, Alison; Hilton, Amanda; Priest, Helena M.

2017-01-01

Background: Improved life expectancy means that more adults with intellectual disabilities are now living with ageing parents. This study explored older families' perceptions of the future. Methods: Semi-structured interviews were conducted with nine older parents and three adults with intellectual disabilities and analysed to produce an…

Differences in School Climate and Student Engagement in China and the United States

ERIC Educational Resources Information Center

Bear, George G.; Yang, Chunyan; Chen, Dandan; He, Xianyou; Xie, Jia-Shu; Huang, Xishan

2018-01-01

Objective: The purpose of this study was to examine differences between American and Chinese students in their perceptions of school climate and engagement in school, and in the relation between school climate and engagement. Method: Confirmatory factor analyses were used to support the factor structure and measurement invariance of the two…

Making Visible the Coding Process: Using Qualitative Data Software in a Post-Structural Study

ERIC Educational Resources Information Center

Ryan, Mary

2009-01-01

Qualitative research methods require transparency to ensure the "trustworthiness" of the data analysis. The intricate processes of organising, coding and analysing the data are often rendered invisible in the presentation of the research findings, which requires a "leap of faith" for the reader. Computer assisted data analysis software can be used…

A generalized rotationally symmetric case of the centroaffine Minkowski problem

NASA Astrophysics Data System (ADS)

Lu, Jian

2018-05-01

In this paper the centroaffine Minkowski problem, a critical case of the Lp-Minkowski problem in the n + 1 dimensional Euclidean space, is studied. By its variational structure and the method of blow-up analyses, we obtain two sufficient conditions for the existence of solutions, for a generalized rotationally symmetric case of the problem.

From genes to ecosystems: Measuring evolutionary diversity and community structure with Forest Inventory and Analysis (FIA) data

Treesearch

Kevin M. Potter

2009-01-01

Forest genetic sustainability is an important component of forest health because genetic diversity and evolutionary processes allow for the adaptation of species and for the maintenance of ecosystem functionality and resilience. Phylogenetic community analyses, a set of new statistical methods for describing the evolutionary relationships among species, offer an...

Secret Keepers: Children's Theory of Mind and Their Conception of Secrecy

ERIC Educational Resources Information Center

Colwell, Malinda J.; Corson, Kimberly; Sastry, Anuradha; Wright, Holly

2016-01-01

In this mixed methods study, semi-structured interviews were conducted with 3-5-year-olds (n?=?21) in a university-sponsored preschool programme and children completed a theory of mind (ToM) task. After grouping children into pass/no pass groups for the ToM tasks, analyses using interpretive phenomenology indicated that preschool children explain…

A Skeleton Tells Its Own Story: Forensic Analyses of Skeletal Elements for the Science Classroom Laboratory

ERIC Educational Resources Information Center

Naples, Virginia L.; Breed, David; Miller, Jon S.

2010-01-01

The techniques of forensic anthropology and pathology can provide new information to increase student interest in studying the structural details of the human skeleton. We present a simplified methodology for assessing skeletal ethnicity, sex, age, and stature. An inexpensive method has been devised for constructing an osteometric board to allow…

"Bridge over Troubled Water": Phenomenologizing Filipino College Deans' Ethical Dilemmas in Academic Administration

ERIC Educational Resources Information Center

Catacutan, Maria Rosario G.; de Guzman, Allan B.

2016-01-01

This phenomenological study intends to capture and describe Filipino college deans' lived experiences of ethical dilemmas as they carry out their work as administrators. Using semi-structured in-depth interviews and following Collaizzi's method, data was collected and subjected to cool and warm analyses yielding a set of themes and sub-themes that…

Prospective Primary School Teachers' Proficiencies in Solving Real-World Problems: Approaches, Strategies and Models

ERIC Educational Resources Information Center

Aksoy, Yilmaz; Bayazit, Ibrahim; Dönmez, S. Merve Kirnap

2015-01-01

This study investigates approaches, strategies and models used by prospective primary school teachers in responding to real-world problems. The research was carried out with 82 participants. Data were collected through written-exam and semi-structured interviews; and they were analysed using content and discourse analysis methods. Most of the…

Validation of the Domains of Creativity Scale for Nigerian Preservice Science, Technology, and Mathematics Teachers

ERIC Educational Resources Information Center

Awofala, Adeneye O. A.; Fatade, Alfred O.

2015-01-01

Introduction: Investigation into the factor structure of Domains of Creativity Scale has been on for sometimes now. The purpose of this study was to test the validity of the Kaufman Domains of Creativity Scale on Nigerian preservice science, technology, and mathematics teachers. Method: Exploratory and confirmatory factor analyses were performed…

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry.

PubMed

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated from the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.

A Simplified Mesh Deformation Method Using Commercial Structural Analysis Software

NASA Technical Reports Server (NTRS)

Hsu, Su-Yuen; Chang, Chau-Lyan; Samareh, Jamshid

2004-01-01

Mesh deformation in response to redefined or moving aerodynamic surface geometries is a frequently encountered task in many applications. Most existing methods are either mathematically too complex or computationally too expensive for usage in practical design and optimization. We propose a simplified mesh deformation method based on linear elastic finite element analyses that can be easily implemented by using commercially available structural analysis software. Using a prescribed displacement at the mesh boundaries, a simple structural analysis is constructed based on a spatially varying Young s modulus to move the entire mesh in accordance with the surface geometry redefinitions. A variety of surface movements, such as translation, rotation, or incremental surface reshaping that often takes place in an optimization procedure, may be handled by the present method. We describe the numerical formulation and implementation using the NASTRAN software in this paper. The use of commercial software bypasses tedious reimplementation and takes advantage of the computational efficiency offered by the vendor. A two-dimensional airfoil mesh and a three-dimensional aircraft mesh were used as test cases to demonstrate the effectiveness of the proposed method. Euler and Navier-Stokes calculations were performed for the deformed two-dimensional meshes.

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

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

Reiser, Karen; Stoller, Patrick; Knoesen, André

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

Note: Non-invasive optical method for rapid determination of alignment degree of oriented nanofibrous layers

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

Pokorny, M.; Rebicek, J.; Klemes, J.

2015-10-15

This paper presents a rapid non-destructive method that provides information on the anisotropic internal structure of nanofibrous layers. A laser beam of a wavelength of 632.8 nm is directed at and passes through a nanofibrous layer prepared by electrostatic spinning. Information about the structural arrangement of nanofibers in the layer is directly visible in the form of a diffraction image formed on a projection screen or obtained from measured intensities of the laser beam passing through the sample which are determined by the dependency of the angle of the main direction of polarization of the laser beam on the axismore » of alignment of nanofibers in the sample. Both optical methods were verified on Polyvinyl alcohol (PVA) nanofibrous layers (fiber diameter of 470 nm) with random, single-axis aligned and crossed structures. The obtained results match the results of commonly used methods which apply the analysis of electron microscope images. The presented simple method not only allows samples to be analysed much more rapidly and without damaging them but it also makes possible the analysis of much larger areas, up to several square millimetres, at the same time.« less

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

DOE PAGES

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

Surfactant-assisted hydrothermal crystallization of nanostructured lithium metasilicate (Li{sub 2}SiO{sub 3}) hollow spheres: (I) Synthesis, structural and microstructural characterization

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

Ortiz-Landeros, J.; Departamento de Ingenieria Metalurgica, Escuela Superior de Ingenieria Quimica e Industrias Extractivas, IPN, UPALM, Av. Instituto Politecnico Nacional s/n, CP 07738, Mexico DF; Contreras-Garcia, M.E.

Lithium metasilicate (Li{sub 2}SiO{sub 3}) was successfully synthesized using a hydrothermal process in the presence of different surfactants with cationic, non-ionic and anionic characters. The samples obtained were compared to a sample prepared by the conventional solid-state reaction method. The structural and microstructural characterizations of different Li{sub 2}SiO{sub 3} powders were performed using various techniques. Diffraction analyses revealed the successful crystallization of pure Li{sub 2}SiO{sub 3} single phase by hydrothermal technique, even without further heat-treatments and independent of the surfactant used. Electron microscopy analyses revealed that Li{sub 2}SiO{sub 3} powders were composed of uniform micrometric particles with a hollow spheremore » morphology and nanostructured walls. Finally, different thermal analyses showed that Li{sub 2}SiO{sub 3} samples preserved their structure and microstructure after further thermal treatments. Specific aspects regarding the formation mechanism of the spherical aggregates under hydrothermal conditions are discussed, and there is a special emphasis on the effect of the synthesis pathway on the morphological characteristics. -- Graphical abstract: Li{sub 2}SiO{sub 3} was synthesized using a hydrothermal process in the presence of different surfactants. Li{sub 2}SiO{sub 3} powders were composed of uniform micrometric particles with a hollow sphere morphology and nanostructured walls. Display Omitted Highlights: {yields} Pure Li{sub 2}SiO{sub 3} was synthesized by the hydrothermal method. {yields} Surfactant addition produced microstructural and morphological variations. {yields} TEM reveled the generation of nanostructured hollow spheres.« less

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calclating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of the system are also discussed.

Chemistry and liquid chromatography methods for the analyses of primary oxidation products of triacylglycerols.

PubMed

Zeb, A

2015-05-01

Triacylglycerols (TAGs) are one of the major components of the cells in higher biological systems, which can act as an energy reservoir in the living cells. The unsaturated fatty acid moiety is the key site of oxidation and formation of oxidation compounds. The TAG free radical generates several primary oxidation compounds. These include hydroperoxides, hydroxides, epidioxides, hydroperoxy epidioxides, hydroxyl epidioxides, and epoxides. The presence of these oxidized TAGs in the cell increases the chances of several detrimental processes. For this purpose, several liquid chromatography (LC) methods were reported in their analyses. This review is therefore focused on the chemistry, oxidation, extraction, and the LC methods reported in the analyses of oxidized TAGs. The studies on thin-layer chromatography were mostly focused on the total oxidized TAGs separation and employ hexane as major solvent. High-performance LC (HPLC) methods were discussed in details along with their merits and demerits. It was found that most of the HPLC methods employed isocratic elution with methanol and acetonitrile as major solvents with an ultraviolet detector. The coupling of HPLC with mass spectrometry (MS) highly increases the efficiency of analysis as well as enables reliable structural elucidation. The use of MS was found to be helpful in studying the oxidation chemistry of TAGs and needs to be extended to the complex biological systems.

Applications of Micro-CT scanning in medicine and dentistry: Microstructural analyses of a Wistar Rat mandible and a urinary tract stone

NASA Astrophysics Data System (ADS)

Latief, F. D. E.; Sari, D. S.; Fitri, L. A.

2017-08-01

High-resolution tomographic imaging by means of x-ray micro-computed tomography (μCT) has been widely utilized for morphological evaluations in dentistry and medicine. The use of μCT follows a standard procedure: image acquisition, reconstruction, processing, evaluation using image analysis, and reporting of results. This paper discusses methods of μCT using a specific scanning device, the Bruker SkyScan 1173 High Energy Micro-CT. We present a description of the general workflow, information on terminology for the measured parameters and corresponding units, and further analyses that can potentially be conducted with this technology. Brief qualitative and quantitative analyses, including basic image processing (VOI selection and thresholding) and measurement of several morphometrical variables (total VOI volume, object volume, percentage of total volume, total VOI surface, object surface, object surface/volume ratio, object surface density, structure thickness, structure separation, total porosity) were conducted on two samples, the mandible of a wistar rat and a urinary tract stone, to illustrate the abilities of this device and its accompanying software package. The results of these analyses for both samples are reported, along with a discussion of the types of analyses that are possible using digital images obtained with a μCT scanning device, paying particular attention to non-diagnostic ex vivo research applications.

Analytical investigations of seismic responses for reinforced concrete bridge columns subjected to strong near-fault ground motion

NASA Astrophysics Data System (ADS)

Su, Chin-Kuo; Sung, Yu-Chi; Chang, Shuenn-Yih; Huang, Chao-Hsun

2007-09-01

Strong near-fault ground motion, usually caused by the fault-rupture and characterized by a pulse-like velocity-wave form, often causes dramatic instantaneous seismic energy (Jadhav and Jangid 2006). Some reinforced concrete (RC) bridge columns, even those built according to ductile design principles, were damaged in the 1999 Chi-Chi earthquake. Thus, it is very important to evaluate the seismic response of a RC bridge column to improve its seismic design and prevent future damage. Nonlinear time history analysis using step-by-step integration is capable of tracing the dynamic response of a structure during the entire vibration period and is able to accommodate the pulsing wave form. However, the accuracy of the numerical results is very sensitive to the modeling of the nonlinear load-deformation relationship of the structural member. FEMA 273 and ATC-40 provide the modeling parameters for structural nonlinear analyses of RC beams and RC columns. They use three parameters to define the plastic rotation angles and a residual strength ratio to describe the nonlinear load-deformation relationship of an RC member. Structural nonlinear analyses are performed based on these parameters. This method provides a convenient way to obtain the nonlinear seismic responses of RC structures. However, the accuracy of the numerical solutions might be further improved. For this purpose, results from a previous study on modeling of the static pushover analyses for RC bridge columns (Sung et al. 2005) is adopted for the nonlinear time history analysis presented herein to evaluate the structural responses excited by a near-fault ground motion. To ensure the reliability of this approach, the numerical results were compared to experimental results. The results confirm that the proposed approach is valid.

Genome-Wide Analyses of Individual Strongyloides stercoralis (Nematoda: Rhabditoidea) Provide Insights into Population Structure and Reproductive Life Cycles.

PubMed

Kikuchi, Taisei; Hino, Akina; Tanaka, Teruhisa; Aung, Myo Pa Pa Thet Hnin Htwe; Afrin, Tanzila; Nagayasu, Eiji; Tanaka, Ryusei; Higashiarakawa, Miwa; Win, Kyu Kyu; Hirata, Tetsuo; Htike, Wah Win; Fujita, Jiro; Maruyama, Haruhiko

2016-12-01

The helminth Strongyloides stercoralis, which is transmitted through soil, infects 30-100 million people worldwide. S. stercoralis reproduces sexually outside the host as well as asexually within the host, which causes a life-long infection. To understand the population structure and transmission patterns of this parasite, we re-sequenced the genomes of 33 individual S. stercoralis nematodes collected in Myanmar (prevalent region) and Japan (non-prevalent region). We utilised a method combining whole genome amplification and next-generation sequencing techniques to detect 298,202 variant positions (0.6% of the genome) compared with the reference genome. Phylogenetic analyses of SNP data revealed an unambiguous geographical separation and sub-populations that correlated with the host geographical origin, particularly for the Myanmar samples. The relatively higher heterozygosity in the genomes of the Japanese samples can possibly be explained by the independent evolution of two haplotypes of diploid genomes through asexual reproduction during the auto-infection cycle, suggesting that analysing heterozygosity is useful and necessary to infer infection history and geographical prevalence.

Humanisation and soft qualities in emergency rooms.

PubMed

Buffoli, Maddalena; Bellini, Eva; Dell'Ovo, Marta; Gola, Marco; Nachiero, Dario; Rebecchi, Andrea; Capolongo, Stefano

2016-01-01

Scenario. Currently, there are few evaluation methods that analyse social aspects in healthcare issues, especially humanisation and well-being, as perceived by users in emergency departments which are places in which patients' psycho-physical well-being is decisive. For this reason, research was conducted to create a tool to improve the quality of these areas. In order to conduct the research, the work was structured in three phases: the first, based on the analysis of State-of-the-Art and the current studies on the interactions established between the physical and emotional conditions of the structure and the users; the second, through the definition of a questionnaire which explores humanisation and comfort aspects; the third, through the application of the instrument. The paper presents and analyses data collected from the application on a case study in Milan, analysing the responses and proposing design suggestions for increasing the quality of emergency environments. In anticipation of future works, the application of such a tool can provide the opportunity to improve and enhance quality and staff efficiency in emergency department spaces.

Sensitivity to musical structure in the human brain

PubMed Central

McDermott, Josh H.; Norman-Haignere, Sam; Kanwisher, Nancy

2012-01-01

Evidence from brain-damaged patients suggests that regions in the temporal lobes, distinct from those engaged in lower-level auditory analysis, process the pitch and rhythmic structure in music. In contrast, neuroimaging studies targeting the representation of music structure have primarily implicated regions in the inferior frontal cortices. Combining individual-subject fMRI analyses with a scrambling method that manipulated musical structure, we provide evidence of brain regions sensitive to musical structure bilaterally in the temporal lobes, thus reconciling the neuroimaging and patient findings. We further show that these regions are sensitive to the scrambling of both pitch and rhythmic structure but are insensitive to high-level linguistic structure. Our results suggest the existence of brain regions with representations of musical structure that are distinct from high-level linguistic representations and lower-level acoustic representations. These regions provide targets for future research investigating possible neural specialization for music or its associated mental processes. PMID:23019005

An integrated native mass spectrometry and top-down proteomics method that connects sequence to structure and function of macromolecular complexes

NASA Astrophysics Data System (ADS)

Li, Huilin; Nguyen, Hong Hanh; Ogorzalek Loo, Rachel R.; Campuzano, Iain D. G.; Loo, Joseph A.

2018-02-01

Mass spectrometry (MS) has become a crucial technique for the analysis of protein complexes. Native MS has traditionally examined protein subunit arrangements, while proteomics MS has focused on sequence identification. These two techniques are usually performed separately without taking advantage of the synergies between them. Here we describe the development of an integrated native MS and top-down proteomics method using Fourier-transform ion cyclotron resonance (FTICR) to analyse macromolecular protein complexes in a single experiment. We address previous concerns of employing FTICR MS to measure large macromolecular complexes by demonstrating the detection of complexes up to 1.8 MDa, and we demonstrate the efficacy of this technique for direct acquirement of sequence to higher-order structural information with several large complexes. We then summarize the unique functionalities of different activation/dissociation techniques. The platform expands the ability of MS to integrate proteomics and structural biology to provide insights into protein structure, function and regulation.

Social and Structural Challenges to Drug Cessation Among Couples in Northern Mexico: Implications for Drug Treatment in Underserved Communities

PubMed Central

Bazzi, Angela Robertson; Syvertsen, Jennifer L.; Rolón, María Luisa; Martinez, Gustavo; Rangel, Gudelia; Vera, Alicia; Amaro, Hortensia; Ulibarri, Monica D.; Hernandez, Daniel O.; Strathdee, Steffanie A.

2015-01-01

Background Available drug treatment modalities may inadequately address social and structural contexts surrounding recovery efforts. Methods This mixed methods analysis drew on (1) surveys with female sex workers and their intimate male partners and (2) semi-structured interviews with a subsample of 41 couples (n = 82 individuals, 123 total interviews) in Northern Mexico. Descriptive and content analyses examined drug cessation and treatment experiences. Results Perceived need for drug treatment was high, yet only 35% had ever accessed services. Financial and institutional barriers (childcare needs, sex-segregated facilities) prevented partners from enrolling in residential programs together or simultaneously, leading to self-treatment attempts. Outpatient methadone was experienced more positively, yet financial constraints limited access and treatment duration. Relapse was common, particularly when one partner enrolled alone while the other continued using drugs. Conclusions Affordable, accessible, evidence-based drug treatment and recovery services that acknowledge social and structural contexts surrounding recovery are urgently needed for drug-involved couples. PMID:26470596

Experiment and density functional theory analyses of GdTaO4 single crystal

NASA Astrophysics Data System (ADS)

Ding, Shoujun; Kinross, Ashlie; Wang, Xiaofei; Yang, Huajun; Zhang, Qingli; Liu, Wenpeng; Sun, Dunlu

2018-05-01

GdTaO4 is a type of excellent materials that can be used as scintillation, laser matrix as well as self-activated phosphor has generated significant interest. Whereas its band structure, electronic structure and optical properties are still need elucidation. To solve this intriguing problem, high-quality GdTaO4 single crystal (M-type) was grown successfully using Czochralski method. Its structure as well as optical properties was determined in experiment. Moreover, a systematic theoretical calculation based on the density function theory methods were performed on M-type and M‧-type GdTaO4 and their band structure, density of state as well as optical properties were obtained. Combine with the performed experiment results, the calculated results were proved with high reliability. Hence, the calculated results obtained in this work could provide a deep understanding of GdTaO4 material, which also useful for the further investigation on GdTaO4 material.

Rosenberg Self-Esteem Scale: Method Effects, Factorial Structure and Scale Invariance Across Migrant Child and Urban Child Populations in China.

PubMed

Wu, Yang; Zuo, Bin; Wen, Fangfang; Yan, Lei

2017-01-01

Using confirmatory factor analyses, this study examined the method effects on a Chinese version of the Rosenberg Self-Esteem Scale (RSES; Rosenberg, 1965 ) in a sample of migrant and urban children in China. In all, 982 children completed the RSES, and 9 models and 9 corresponding variants were specified and tested. The results indicated that the method effects are associated with both positively and negatively worded items and that Item 8 should be treated as a positively worded item. Additionally, the method effects models were invariant across migrant and urban children in China.

Development of methods for analysis of knee articular cartilage degeneration by magnetic resonance imaging data

NASA Astrophysics Data System (ADS)

Suponenkovs, Artjoms; Glazs, Aleksandrs; Platkajis, Ardis

2017-03-01

The aim of this paper is to describe the new methods for analyzing knee articular cartilage degeneration. The most important aspects regarding research about magnetic resonance imaging, knee joint anatomy, stages of knee osteoarthritis, medical image segmentation and relaxation times calculation. This paper proposes new methods for relaxation times calculation and medical image segmentation. The experimental part describes the most important aspect regarding analysing of articular cartilage relaxation times changing. This part contains experimental results, which show the codependence between relaxation times and organic structure. These experimental results and proposed methods can be helpful for early osteoarthritis diagnostics.

LASER BEAMS: On alternative methods for measuring the radius and propagation ratio of axially symmetric laser beams

NASA Astrophysics Data System (ADS)

Dementjev, Aleksandr S.; Jovaisa, A.; Silko, Galina; Ciegis, Raimondas

2005-11-01

Based on the developed efficient numerical methods for calculating the propagation of light beams, the alternative methods for measuring the beam radius and propagation ratio proposed in the international standard ISO 11146 are analysed. The specific calculations of the alternative beam propagation ratios Mi2 performed for a number of test beams with a complicated spatial structure showed that the correlation coefficients ci used in the international standard do not establish the universal one-to-one relation between the alternative propagation ratios Mi2 and invariant propagation ratios Mσ2 found by the method of moments.

Review of 3d GIS Data Fusion Methods and Progress

NASA Astrophysics Data System (ADS)

Hua, Wei; Hou, Miaole; Hu, Yungang

2018-04-01

3D data fusion is a research hotspot in the field of computer vision and fine mapping, and plays an important role in fine measurement, risk monitoring, data display and other processes. At present, the research of 3D data fusion in the field of Surveying and mapping focuses on the 3D model fusion of terrain and ground objects. This paper summarizes the basic methods of 3D data fusion of terrain and ground objects in recent years, and classified the data structure and the establishment method of 3D model, and some of the most widely used fusion methods are analysed and commented.

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.

Fatigue and fail-safe design features of the DC-10 airplane

NASA Technical Reports Server (NTRS)

Stone, M. E.

1972-01-01

The philosophy and methods used in the design of the DC-10 aircraft to assure structural reliability against cracks under repeated service loads are described in detail. The approach consists of three complementary parts: (1) the structure is designed to be fatigue resistant for a crack-free life of 60,000 flight hours; (2) inasmuch as small undetected cracks could develop from other sources, such as material flaws and manufacturing preloads, the structure also is designed to arrest and control cracks within a reasonable service-inspection interval; and (3) a meaningful service-inspection program has been defined on the basis of analysis and test experience from the design development program. This service-inspection program closes the loop to assure the structural integrity of the DC-10 airframe. Selected materials, fasteners, and structural arrangements are used to achieve these design features with minimum structural weight and with economy in manufacturing and maintenance. Extensive analyses and testing were performed to develop and verify the design. The basic design considerations for fatigue-resistant structure are illustrated in terms of material selection, design loads spectra, methods for accurate stress and fatigue damage analysis, and proven concepts for efficient detail design.

Receptor-based 3D-QSAR in Drug Design: Methods and Applications in Kinase Studies.

PubMed

Fang, Cheng; Xiao, Zhiyan

2016-01-01

Receptor-based 3D-QSAR strategy represents a superior integration of structure-based drug design (SBDD) and three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis. It combines the accurate prediction of ligand poses by the SBDD approach with the good predictability and interpretability of statistical models derived from the 3D-QSAR approach. Extensive efforts have been devoted to the development of receptor-based 3D-QSAR methods and two alternative approaches have been exploited. One associates with computing the binding interactions between a receptor and a ligand to generate structure-based descriptors for QSAR analyses. The other concerns the application of various docking protocols to generate optimal ligand poses so as to provide reliable molecular alignments for the conventional 3D-QSAR operations. This review highlights new concepts and methodologies recently developed in the field of receptorbased 3D-QSAR, and in particular, covers its application in kinase studies.

On the Use of Material-Dependent Damping in ANSYS for Mode Superposition Transient Analysis

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

Nie, J.; Wei, X.

The mode superposition method is often used for dynamic analysis of complex structures, such as the seismic Category I structures in nuclear power plants, in place of the less efficient full method, which uses the full system matrices for calculation of the transient responses. In such applications, specification of material-dependent damping is usually desirable because complex structures can consist of multiple types of materials that may have different energy dissipation capabilities. A recent review of the ANSYS manual for several releases found that the use of material-dependent damping is not clearly explained for performing a mode superposition transient dynamic analysis.more » This paper includes several mode superposition transient dynamic analyses using different ways to specify damping in ANSYS, in order to determine how material-dependent damping can be specified conveniently in a mode superposition transient dynamic analysis.« less

Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

NASA Astrophysics Data System (ADS)

Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

2018-06-01

Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

Novel silk fibroin films prepared by formic acid/hydroxyapatite dissolution method.

PubMed

Ming, Jinfa; Liu, Zhi; Bie, Shiyu; Zhang, Feng; Zuo, Baoqi

2014-04-01

Bombyx mori silk fibroin from the silkworm was firstly found to be soluble in formic acid/hydroxyapatite system. The rheological behavior of silk fibroin solution was significantly influenced by HAp contents in dissolved solution. At the same time, silk fibroin nanofibers were observed in dissolved solution with 103.6±20.4nm in diameter. Moreover, the structure behavior of SF films prepared by formic acid/hydroxyapatite dissolution method was examined. The secondary structure of silk fibroin films was attributed to silk II structure (β-sheet), indicating that the hydroxyapatite contents in dissolved solution were not significantly affected by the structure of silk fibroin. The X-ray diffraction results exhibited obviously hydroxyapatite crystalline nature existing in silk fibroin films; however, when the hydroxyapatite content was 5.0wt.% in dissolved solution, some hydroxyapatite crystals were converted to calcium hydrogen phosphate dehydrate in silk fibroin dissolution process. This result was also confirmed by Fourier transform infrared analysis and DSC measurement. In addition, silk fibroin films prepared by this dissolution method had higher breaking strength and extension at break. Based on these analyses, an understanding of novel SF dissolution method may provide an additional tool for designing and synthesizing advanced materials with more complex structures, which should be helpful in different fields, including biomaterial applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Tannin structural elucidation and quantitative ³¹P NMR analysis. 2. Hydrolyzable tannins and proanthocyanidins.

PubMed

Melone, Federica; Saladino, Raffaele; Lange, Heiko; Crestini, Claudia

2013-10-02

An unprecedented analytical method that allows simultaneous structural and quantitative characterization of all functional groups present in tannins is reported. In situ labeling of all labile H groups (aliphatic and phenolic hydroxyls and carboxylic acids) with a phosphorus-containing reagent (Cl-TMDP) followed by quantitative ³¹P NMR acquisition constitutes a novel fast and reliable analytical tool for the analysis of tannins and proanthocyanidins with significant implications for the fields of food and feed analyses, tannery, and the development of natural polyphenolics containing products.

Uberon, an integrative multi-species anatomy ontology

PubMed Central

2012-01-01

We present Uberon, an integrated cross-species ontology consisting of over 6,500 classes representing a variety of anatomical entities, organized according to traditional anatomical classification criteria. The ontology represents structures in a species-neutral way and includes extensive associations to existing species-centric anatomical ontologies, allowing integration of model organism and human data. Uberon provides a necessary bridge between anatomical structures in different taxa for cross-species inference. It uses novel methods for representing taxonomic variation, and has proved to be essential for translational phenotype analyses. Uberon is available at http://uberon.org PMID:22293552

A novel HVSR approach on structural heath monitoring for structural vulnerability assesement

NASA Astrophysics Data System (ADS)

Pentaris, Fragkiskos P.; Papadopoulos, Ilias

2014-05-01

This work suggests a novel approach for vulnerability assessment in structural health monitoring (SHM) through Horizontal to Vertical Spectral Ratio (HVSR) method. Acceleration recordings of different age concrete buildings [1] are analyzed using the conventional method for estimation of fundamental frequency in SHM (Fast Furrier Transform-FFT method). The results of frequency spectrum are verified theoretically (mass and stiffness matrices models) but also by practical techniques applied in real structure data, for the estimation of structural resonance frequencies [2-4]. The same recordings are analyzed by HVSR method and study the differences and the similarities of both methods (FFT and HVSR) under earthquake excitation. Both methods can reveal resonance frequencies and amplitude of buildings under study, with great detail and efficiency in terms of ease of deployment, computation, cost and time. Furthermore HVSR recordings of strong seismic motion are compared with HVSR recordings of ambient noise for the case study buildings. The similarities of HVSR recordings (between earthquake and ambient noise) reveal the same analogy in HVSR spectrum. This enables a simple HVSR noise recording in a building to present the same information with an earthquake HVSR recording that are much rarer. This study presents a novel index which compute the increase of HVSR between floors and correlates the increasing rate with the structural vulnerability of the specific building. The main idea is that this HVSR rate index is strongly related with the differential acceleration (between floors), a determinant measurement for SHM assessment in concrete buildings. Experimental data verify the above HVSR rise index by presentation of higher HVSR rise in older buildings (with visible cracks in beams, damage and stress in their structure) than other younger buildings without any visible damage. Acknowledgments This work was supported in part by the ARCHEMEDES III Program of the Ministry of Education of Greece and the European Union in the framework of the project entitled «Interdisciplinary Multi-Scale Research of Earthquake Physics and Seismotectonics at the front of the Hellenic Arc (IMPACT-ARC) ». References [1] F. P. Pentaris, J. Stonham, and J. P. Makris, "A review of the state-of-the-art of wireless SHM systems and an experimental set-up towards an improved design," presented at the EUROCON, 2013 IEEE, Zagreb, 2013. [2] R. Ditommaso, M. Mucciarelli, S. Parolai, and M. Picozzi, "Monitoring the structural dynamic response of a masonry tower: Comparing classical and time-frequency analyses," Bulletin of Earthquake Engineering, vol. 10, pp. 1221-1235, 2012. [3] Sungkono, D. D. Warnana, Triwulan, and W. Utama, "Evaluation of Buildings Strength from Microtremor Analyses " International Journal of Civil & Environmental Engineering IJCEE-IJENS, vol. 11, 2011. [4] L.-L. Hong and W.-L. Hwang, "Empirical formula for fundamental vibration periods of reinforced concrete buildings in Taiwan," Earthquake Engineering & Structural Dynamics, vol. 29, pp. 327-337, 2000.

Molecular modelling studies on the ORL1-receptor and ORL1-agonists

NASA Astrophysics Data System (ADS)

Bröer, Britta M.; Gurrath, Marion; Höltje, Hans-Dieter

2003-11-01

The ORL1 ( opioid receptor like 1)- receptor is a member of the family of rhodopsin-like G protein-coupled receptors (GPCR) and represents an interesting new therapeutical target since it is involved in a variety of biomedical important processes, such as anxiety, nociception, feeding, and memory. In order to shed light on the molecular basis of the interactions of the GPCR with its ligands, the receptor protein and a dataset of specific agonists were examined using molecular modelling methods. For that purpose, the conformational space of a very potent non-peptide ORL1-receptor agonist (Ro 64-6198) with a small number of rotatable bonds was analysed in order to derive a pharmacophoric arrangement. The conformational analyses yielded a conformation that served as template for the superposition of a set of related analogues. Structural superposition was achieved by employing the program FlexS. Using the experimental binding data and the superposition of the ligands, a 3D-QSAR analysis applying the GRID/GOLPE method was carried out. After the ligand-based modelling approach, a 3D model of the ORL1-receptor has been constructed using homology modelling methods based on the crystal structure of bovine rhodopsin. A representative structure of the model taken from molecular dynamics simulations was used for a manual docking procedure. Asp-130 and Thr-305 within the ORL1-receptor model served as important hydrophilic interaction partners. Furthermore, a hydrophobic cavity was identified stabilizing the agonists within their binding site. The manual docking results were supported using FlexX, which identified the same protein-ligand interaction points.

Factor structure and convergent validity of the Derriford Appearance Scale-24 using standard scoring versus treating ‘not applicable’ responses as missing data: a Scleroderma Patient-centered Intervention Network (SPIN) cohort study

PubMed Central

Merz, Erin L; Kwakkenbos, Linda; Carrier, Marie-Eve; Gholizadeh, Shadi; Mills, Sarah D; Fox, Rina S; Jewett, Lisa R; Williamson, Heidi; Harcourt, Diana; Assassi, Shervin; Furst, Daniel E; Gottesman, Karen; Mayes, Maureen D; Moss, Tim P; Thombs, Brett D; Malcarne, Vanessa L

2018-01-01

Objective Valid measures of appearance concern are needed in systemic sclerosis (SSc), a rare, disfiguring autoimmune disease. The Derriford Appearance Scale-24 (DAS-24) assesses appearance-related distress related to visible differences. There is uncertainty regarding its factor structure, possibly due to its scoring method. Design Cross-sectional survey. Setting Participants with SSc were recruited from 27 centres in Canada, the USA and the UK. Participants who self-identified as having visible differences were recruited from community and clinical settings in the UK. Participants Two samples were analysed (n=950 participants with SSc; n=1265 participants with visible differences). Primary and secondary outcome measures The DAS-24 factor structure was evaluated using two scoring methods. Convergent validity was evaluated with measures of social interaction anxiety, depression, fear of negative evaluation, social discomfort and dissatisfaction with appearance. Results When items marked by respondents as ‘not applicable’ were scored as 0, per standard DAS-24 scoring, a one-factor model fit poorly; when treated as missing data, the one-factor model fit well. Convergent validity analyses revealed strong correlations that were similar across scoring methods. Conclusions Treating ‘not applicable’ responses as missing improved the measurement model, but did not substantively influence practical inferences that can be drawn from DAS-24 scores. Indications of item redundancy and poorly performing items suggest that the DAS-24 could be improved and potentially shortened. PMID:29511009

Summary of AH-1G flight vibration data for validation of coupled rotor-fuselage analyses

NASA Technical Reports Server (NTRS)

Dompka, R. V.; Cronkhite, J. D.

1986-01-01

Under a NASA research program designated DAMVIBS (Design Analysis Methods for VIBrationS), four U. S. helicopter industry participants (Bell Helicopter, Boeing Vertol, McDonnell Douglas Helicopter, and Sikorsky Aircraft) are to apply existing analytical methods for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. Bell Helicopter, as the manufacturer of the AH-1G, was asked to provide pertinent rotor data and to collect the OLS flight vibration data needed to perform the correlations. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM) developed by Bell which has been extensively documented and correlated with ground vibration tests.The AH-1G FEM was provided to each of the participants for use in their coupled rotor-fuselage analyses. This report describes the AH-1G OLS flight test program and provides the flight conditions and measured vibration data to be used by each participant in their correlation effort. In addition, the mechanical, structural, inertial and aerodynamic data for the AH-1G two-bladed teetering main rotor system are presented. Furthermore, modifications to the NASTRAN FEM of the fuselage structure that are necessary to make it compatible with the OLS test article are described. The AH-1G OLS flight test data was found to be well documented and provide a sound basis for evaluating currently existing analysis methods used for calculation of coupled rotor-fuselage vibrations.

Extending Inferential Group Analysis in Type 2 Diabetic Patients with Multivariate GLM Implemented in SPM8

PubMed Central

Ferreira, Fábio S.; Pereira, João M.S.; Duarte, João V.; Castelo-Branco, Miguel

2017-01-01

Background: Although voxel based morphometry studies are still the standard for analyzing brain structure, their dependence on massive univariate inferential methods is a limiting factor. A better understanding of brain pathologies can be achieved by applying inferential multivariate methods, which allow the study of multiple dependent variables, e.g. different imaging modalities of the same subject. Objective: Given the widespread use of SPM software in the brain imaging community, the main aim of this work is the implementation of massive multivariate inferential analysis as a toolbox in this software package. applied to the use of T1 and T2 structural data from diabetic patients and controls. This implementation was compared with the traditional ANCOVA in SPM and a similar multivariate GLM toolbox (MRM). Method: We implemented the new toolbox and tested it by investigating brain alterations on a cohort of twenty-eight type 2 diabetes patients and twenty-six matched healthy controls, using information from both T1 and T2 weighted structural MRI scans, both separately – using standard univariate VBM - and simultaneously, with multivariate analyses. Results: Univariate VBM replicated predominantly bilateral changes in basal ganglia and insular regions in type 2 diabetes patients. On the other hand, multivariate analyses replicated key findings of univariate results, while also revealing the thalami as additional foci of pathology. Conclusion: While the presented algorithm must be further optimized, the proposed toolbox is the first implementation of multivariate statistics in SPM8 as a user-friendly toolbox, which shows great potential and is ready to be validated in other clinical cohorts and modalities. PMID:28761571

Influence of magnification and superimposition of structures on cephalometric diagnosis.

PubMed

Paula, Leonardo Koerich de; Solon-de-Mello, Priscilla de Almeida; Mattos, Claudia Trindade; Ruellas, Antônio Carlos de Oliveira; Sant'Anna, Eduardo Franzotti

2015-01-01

The purpose of this study was to assess the influence of magnification and superimposition of structures on CBCT-generated lateral cephalometric radiographs (LCR) using different segments of the cranium. CBCT scans of 10 patients were selected. Four LCR were generated using Dolphin Imaging(r) software: full-face, right side, left side and center of the head. A total of 40 images were imported into Radiocef Studio 2(r), and the angles of the most common cephalometric analyses were traced by the same observer twice and within a 10-day interval. Statistical analyses included intraexaminer agreement and comparison between methods by means of intraclass correlation coefficient (ICC) and Bland-Altman agreement tests. Intraexaminer agreement of the angles assessed by ICC was excellent (> 0.90) for 83% of measurements, good (between 0.75 and 0.90) for 15%, and moderate (between 0.50 and 0.75) for 2% of measurements. The comparison between methods by ICC was excellent for 68% of measurements, good for 26%, and moderate for 6%. Variables presenting wider confidence intervals (> 6o) in the Bland-Altman tests, in intraexaminer assessment, were: mandibular incisor angle, maxillary incisor angle, and occlusal plane angle. And in comparison methods the variables with wider confidence interval were: mandibular incisor, maxillary incisor, GoGn, occlusal plane angle, Frankfort horizontal plane (FHP), and CoA. Superimposition of structures seemed to influence the results more than magnification, and neither one of them significantly influenced the measurements. Considerable individual variability may occur, especially for mandibular and maxillary incisors, FHP and occlusal plane.

X-ray Scattering Combined with Coordinate-Based Analyses for Applications in Natural and Artificial Photosynthesis

PubMed Central

Tiede, David M.; Mardis, Kristy L.; Zuo, Xiaobing

2009-01-01

Advances in x-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining x-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for x-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution x-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states. PMID:19636808

Structural analysis of commercial ceramides by gas chromatography-mass spectrometry.

PubMed

Bleton, J; Gaudin, K; Chaminade, P; Goursaud, S; Baillet, A; Tchapla, A

2001-05-11

A simple method using gas chromatography-mass spectrometry was applied to analyse structures of ceramides. Identification of trimethylsilylated ceramides were obtained in short analysis times (derivatization of ceramides in 30 min at room temperature and 20 min gas chromatography mass spectrometry run) even for complex mixtures. For example in ceramide Type III, 18 peaks were observed which represent 27 various structures. The coeluted compounds were ceramides containing the same functional groups and the same carbon number but with a different distribution on the two alkyl chains of the molecule. They were accurately differentiated by mass spectrometry. Therefore, 83 structures of trimethylsilylated ceramides were identified in 11 different commercial mixtures. For 52 structures of these, mass spectral data were not described in the literature, neither full mass spectra nor characteristic fragments.

The factor structure and reliability of the Illness Attitude Scales in a student and a patient sample

PubMed Central

Crössmann, Alexander; Pauli, Paul

2006-01-01

Background The Illness Attitude Scales (IAS), designed by Kellner in 1986, assesses fears, beliefs, and attitudes associated with hypochondriasis and abnormal illness behaviour. However, its factor structure is, especially for translations of the IAS, not sufficiently explored. Thus, the present Study aimed to analyse the factor structure of the IAS in a German student and a patient population using exploratory factor analysis. Methods A mixed student (N = 296) and a mixed patient (N = 130) sample completed the IAS. The data was submitted to principal components analyses (PCA) with subsequent oblique rotations. From identified factor structures, scales were derived and submitted to reliability analyses as well as to a preliminary validity analysis. Results The PCA revealed a four-factor solution in the student sample: (1) fear of illness and death; (2) treatment experience; (3) hypochondriacal beliefs; and (4) effect of symptoms. In the patient sample, the data was best explained by a two-factor solution: (1) health related anxiety and (2) effect of symptoms and treatment experience. All scales reached good to acceptable reliability coefficients. The scales derived from the student sample and those derived from the patient sample were able to distinguish between pain patients and a matched group of normal controls. Conclusion Our data suggests that the IAS is in student samples best represented by a four factor-solution and in patient samples by a two-factor-solution. PMID:17067384

Genetic analyses of bone morphogenetic protein 2, 4 and 7 in congenital combined pituitary hormone deficiency

PubMed Central

2013-01-01

Background The complex process of development of the pituitary gland is regulated by a number of signalling molecules and transcription factors. Mutations in these factors have been identified in rare cases of congenital hypopituitarism but for most subjects with combined pituitary hormone deficiency (CPHD) genetic causes are unknown. Bone morphogenetic proteins (BMPs) affect induction and growth of the pituitary primordium and thus represent plausible candidates for mutational screening of patients with CPHD. Methods We sequenced BMP2, 4 and 7 in 19 subjects with CPHD. For validation purposes, novel genetic variants were genotyped in 1046 healthy subjects. Additionally, potential functional relevance for most promising variants has been assessed by phylogenetic analyses and prediction of effects on protein structure. Results Sequencing revealed two novel variants and confirmed 30 previously known polymorphisms and mutations in BMP2, 4 and 7. Although phylogenetic analyses indicated that these variants map within strongly conserved gene regions, there was no direct support for their impact on protein structure when applying predictive bioinformatics tools. Conclusions A mutation in the BMP4 coding region resulting in an amino acid exchange (p.Arg300Pro) appeared most interesting among the identified variants. Further functional analyses are required to ultimately map the relevance of these novel variants in CPHD. PMID:24289245

Signal frequency distribution and natural-time analyses from acoustic emission monitoring of an arched structure in the Castle of Racconigi

NASA Astrophysics Data System (ADS)

Niccolini, Gianni; Manuello, Amedeo; Marchis, Elena; Carpinteri, Alberto

2017-07-01

The stability of an arch as a structural element in the thermal bath of King Charles Albert (Carlo Alberto) in the Royal Castle of Racconigi (on the UNESCO World Heritage List since 1997) was assessed by the acoustic emission (AE) monitoring technique with application of classical inversion methods to recorded AE data. First, damage source location by means of triangulation techniques and signal frequency analysis were carried out. Then, the recently introduced method of natural-time analysis was preliminarily applied to the AE time series in order to reveal a possible entrance point to a critical state of the monitored structural element. Finally, possible influence of the local seismic and microseismic activity on the stability of the monitored structure was investigated. The criterion for selecting relevant earthquakes was based on the estimation of the size of earthquake preparation zones. The presented results suggest the use of the AE technique as a tool for detecting both ongoing structural damage processes and microseismic activity during preparation stages of seismic events.

A periodic table of coiled-coil protein structures.

PubMed

Moutevelis, Efrosini; Woolfson, Derek N

2009-01-23

Coiled coils are protein structure domains with two or more alpha-helices packed together via interlacing of side chains known as knob-into-hole packing. We analysed and classified a large set of coiled-coil structures using a combination of automated and manual methods. This led to a systematic classification that we termed a "periodic table of coiled coils," which we have made available at http://coiledcoils.chm.bris.ac.uk/ccplus/search/periodic_table. In this table, coiled-coil assemblies are arranged in columns with increasing numbers of alpha-helices and in rows of increased complexity. The table provides a framework for understanding possibilities in and limits on coiled-coil structures and a basis for future prediction, engineering and design studies.

Revealing the hidden language of complex networks.

PubMed

Yaveroğlu, Ömer Nebil; Malod-Dognin, Noël; Davis, Darren; Levnajic, Zoran; Janjic, Vuk; Karapandza, Rasa; Stojmirovic, Aleksandar; Pržulj, Nataša

2014-04-01

Sophisticated methods for analysing complex networks promise to be of great benefit to almost all scientific disciplines, yet they elude us. In this work, we make fundamental methodological advances to rectify this. We discover that the interaction between a small number of roles, played by nodes in a network, can characterize a network's structure and also provide a clear real-world interpretation. Given this insight, we develop a framework for analysing and comparing networks, which outperforms all existing ones. We demonstrate its strength by uncovering novel relationships between seemingly unrelated networks, such as Facebook, metabolic, and protein structure networks. We also use it to track the dynamics of the world trade network, showing that a country's role of a broker between non-trading countries indicates economic prosperity, whereas peripheral roles are associated with poverty. This result, though intuitive, has escaped all existing frameworks. Finally, our approach translates network topology into everyday language, bringing network analysis closer to domain scientists.

Multi-level structure in the large scale distribution of optically luminous galaxies

NASA Astrophysics Data System (ADS)

Deng, Xin-fa; Deng, Zu-gan; Liu, Yong-zhen

1992-04-01

Fractal dimensions in the large scale distribution of galaxies have been calculated with the method given by Wen et al. [1] Samples are taken from CfA redshift survey in northern and southern galactic [2] hemisphere in our analysis respectively. Results from these two regions are compared with each other. There are significant differences between the distributions in these two regions. However, our analyses do show some common features of the distributions in these two regions. All subsamples show multi-level fractal character distinctly. Combining it with the results from analyses of samples given by IRAS galaxies and results from samples given by redshift survey in pencil-beam fields, [3,4] we suggest that multi-level fractal structure is most likely to be a general and important character in the large scale distribution of galaxies. The possible implications of this character are discussed.

Finite element analysis of structural engineering problems using a viscoplastic model incorporating two back stresses

NASA Technical Reports Server (NTRS)

Arya, Vinod K.; Halford, Gary R.

1993-01-01

The feasibility of a viscoplastic model incorporating two back stresses and a drag strength is investigated for performing nonlinear finite element analyses of structural engineering problems. To demonstrate suitability for nonlinear structural analyses, the model is implemented into a finite element program and analyses for several uniaxial and multiaxial problems are performed. Good agreement is shown between the results obtained using the finite element implementation and those obtained experimentally. The advantages of using advanced viscoplastic models for performing nonlinear finite element analyses of structural components are indicated.

Structure and stability of genetic variance-covariance matrices: A Bayesian sparse factor analysis of transcriptional variation in the three-spined stickleback.

PubMed

Siren, J; Ovaskainen, O; Merilä, J

2017-10-01

The genetic variance-covariance matrix (G) is a quantity of central importance in evolutionary biology due to its influence on the rate and direction of multivariate evolution. However, the predictive power of empirically estimated G-matrices is limited for two reasons. First, phenotypes are high-dimensional, whereas traditional statistical methods are tuned to estimate and analyse low-dimensional matrices. Second, the stability of G to environmental effects and over time remains poorly understood. Using Bayesian sparse factor analysis (BSFG) designed to estimate high-dimensional G-matrices, we analysed levels variation and covariation in 10,527 expressed genes in a large (n = 563) half-sib breeding design of three-spined sticklebacks subject to two temperature treatments. We found significant differences in the structure of G between the treatments: heritabilities and evolvabilities were higher in the warm than in the low-temperature treatment, suggesting more and faster opportunity to evolve in warm (stressful) conditions. Furthermore, comparison of G and its phenotypic equivalent P revealed the latter is a poor substitute of the former. Most strikingly, the results suggest that the expected impact of G on evolvability-as well as the similarity among G-matrices-may depend strongly on the number of traits included into analyses. In our results, the inclusion of only few traits in the analyses leads to underestimation in the differences between the G-matrices and their predicted impacts on evolution. While the results highlight the challenges involved in estimating G, they also illustrate that by enabling the estimation of large G-matrices, the BSFG method can improve predicted evolutionary responses to selection. © 2017 John Wiley & Sons Ltd.

Joint models for longitudinal and time-to-event data: a review of reporting quality with a view to meta-analysis.

PubMed

Sudell, Maria; Kolamunnage-Dona, Ruwanthi; Tudur-Smith, Catrin

2016-12-05

Joint models for longitudinal and time-to-event data are commonly used to simultaneously analyse correlated data in single study cases. Synthesis of evidence from multiple studies using meta-analysis is a natural next step but its feasibility depends heavily on the standard of reporting of joint models in the medical literature. During this review we aim to assess the current standard of reporting of joint models applied in the literature, and to determine whether current reporting standards would allow or hinder future aggregate data meta-analyses of model results. We undertook a literature review of non-methodological studies that involved joint modelling of longitudinal and time-to-event medical data. Study characteristics were extracted and an assessment of whether separate meta-analyses for longitudinal, time-to-event and association parameters were possible was made. The 65 studies identified used a wide range of joint modelling methods in a selection of software. Identified studies concerned a variety of disease areas. The majority of studies reported adequate information to conduct a meta-analysis (67.7% for longitudinal parameter aggregate data meta-analysis, 69.2% for time-to-event parameter aggregate data meta-analysis, 76.9% for association parameter aggregate data meta-analysis). In some cases model structure was difficult to ascertain from the published reports. Whilst extraction of sufficient information to permit meta-analyses was possible in a majority of cases, the standard of reporting of joint models should be maintained and improved. Recommendations for future practice include clear statement of model structure, of values of estimated parameters, of software used and of statistical methods applied.

Solving large-scale dynamic systems using band Lanczos method in Rockwell NASTRAN on CRAY X-MP

NASA Technical Reports Server (NTRS)

Gupta, V. K.; Zillmer, S. D.; Allison, R. E.

1986-01-01

The improved cost effectiveness using better models, more accurate and faster algorithms and large scale computing offers more representative dynamic analyses. The band Lanczos eigen-solution method was implemented in Rockwell's version of 1984 COSMIC-released NASTRAN finite element structural analysis computer program to effectively solve for structural vibration modes including those of large complex systems exceeding 10,000 degrees of freedom. The Lanczos vectors were re-orthogonalized locally using the Lanczos Method and globally using the modified Gram-Schmidt method for sweeping rigid-body modes and previously generated modes and Lanczos vectors. The truncated band matrix was solved for vibration frequencies and mode shapes using Givens rotations. Numerical examples are included to demonstrate the cost effectiveness and accuracy of the method as implemented in ROCKWELL NASTRAN. The CRAY version is based on RPK's COSMIC/NASTRAN. The band Lanczos method was more reliable and accurate and converged faster than the single vector Lanczos Method. The band Lanczos method was comparable to the subspace iteration method which was a block version of the inverse power method. However, the subspace matrix tended to be fully populated in the case of subspace iteration and not as sparse as a band matrix.

Numerical Analyses of Subsoil-structure Interaction in Original Non-commercial Software based on FEM

NASA Astrophysics Data System (ADS)

Cajka, R.; Vaskova, J.; Vasek, J.

2018-04-01

For decades attention has been paid to interaction of foundation structures and subsoil and development of interaction models. Given that analytical solutions of subsoil-structure interaction could be deduced only for some simple shapes of load, analytical solutions are increasingly being replaced by numerical solutions (eg. FEM – Finite element method). Numerical analyses provides greater possibilities for taking into account the real factors involved in the subsoil-structure interaction and was also used in this article. This makes it possible to design the foundation structures more efficiently and still reliably and securely. Currently there are several software that, can deal with the interaction of foundations and subsoil. It has been demonstrated that non-commercial software called MKPINTER (created by Cajka) provides appropriately results close to actual measured values. In MKPINTER software stress-strain analysis of elastic half-space by means of Gauss numerical integration and Jacobean of transformation is done. Input data for numerical analysis were observed by experimental loading test of concrete slab. The loading was performed using unique experimental equipment which was constructed in the area Faculty of Civil Engineering, VŠB-TU Ostrava. The purpose of this paper is to compare resulting deformation of the slab with values observed during experimental loading test.

Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg 1/2Ti 1/2O 3-(1$-$x)PbTiO 3

DOE PAGES

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun; ...

2017-03-28

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

Methods of biological dosimetry employing chromosome-specific staining

DOEpatents

Gray, Joe W.; Pinkel, Daniel

2000-01-01

Methods and compositions for staining based upon nucleic acid sequence that employ nucleic acid probes are provided. Said methods produce staining patterns that can be tailored for specific cytogenetic analyses. Said probes are appropriate for in situ hybridization and stain both interphase and metaphase chromosomal material with reliable signals. The nucleic acid probes are typically of a complexity greater than 50 kb, the complexity depending upon the cytogenetic application. Methods are provided to disable the hybridization capacity of shared, high copy repetitive sequences and/or remove such sequences to provide for useful contrast. Still further methods are provided to produce chromosome-specific staining reagents which are made specific to the targeted chromosomal material, which can be one or more whole chromosomes, one or more regions on one or more chromosomes, subsets of chromosomes and/or the entire genome. Probes and test kits are provided for use in tumor cytogenetics, in the detection of disease related loci, in analysis of structural abnormalities, such as translocations, and for biological dosimetry. Further, methods and prenatal test kits are provided to stain targeted chromosomal material of fetal cells, including fetal cells obtained from maternal blood. Still further, the invention provides for automated means to detect and analyse chromosomal abnormalities.

Methods And Compositions For Chromosome-Specific Staining

DOEpatents

Gray, Joe W.; Pinkel, Daniel

2003-08-19

Methods and compositions for staining based upon nucleic acid sequence that employ nucleic acid probes are provided. Said methods produce staining patterns that can be tailored for specific cytogenetic analyses. Said probes are appropriate for in situ hybridization and stain both interphase and metaphase chromosomal material with reliable signals. The nucleic acid probes are typically of a complexity greater than 50 kb, the complexity depending upon the cytogenetic application. Methods are provided to disable the hybridization capacity of shared, high copy repetitive sequences and/or remove such sequences to provide for useful contrast. Still further methods are provided to produce chromosome-specific staining reagents which are made specific to the targeted chromosomal material, which can be one or more whole chromosomes, one or more regions on one or more chromosomes, subsets of chromosomes and/or the entire genome. Probes and test kits are provided for use in tumor cytogenetics, in the detection of disease related loci, in analysis of structural abnormalities, such as translocations, and for biological dosimetry. Further, methods and prenatal test kits are provided to stain targeted chromosomal material of fetal cells, including fetal cells obtained from maternal blood. Still further, the invention provides for automated means to detect and analyse chromosomal abnormalities.

Airway extraction from 3D chest CT volumes based on iterative extension of VOI enhanced by cavity enhancement filter

NASA Astrophysics Data System (ADS)

Meng, Qier; Kitasaka, Takayuki; Oda, Masahiro; Mori, Kensaku

2017-03-01

Airway segmentation is an important step in analyzing chest CT volumes for computerized lung cancer detection, emphysema diagnosis, asthma diagnosis, and pre- and intra-operative bronchoscope navigation. However, obtaining an integrated 3-D airway tree structure from a CT volume is a quite challenging task. This paper presents a novel airway segmentation method based on intensity structure analysis and bronchi shape structure analysis in volume of interest (VOI). This method segments the bronchial regions by applying the cavity enhancement filter (CEF) to trace the bronchial tree structure from the trachea. It uses the CEF in each VOI to segment each branch and to predict the positions of VOIs which envelope the bronchial regions in next level. At the same time, a leakage detection is performed to avoid the leakage by analysing the pixel information and the shape information of airway candidate regions extracted in the VOI. Bronchial regions are finally obtained by unifying the extracted airway regions. The experiments results showed that the proposed method can extract most of the bronchial region in each VOI and led good results of the airway segmentation.

Network structure of multivariate time series.

PubMed

Lacasa, Lucas; Nicosia, Vincenzo; Latora, Vito

2015-10-21

Our understanding of a variety of phenomena in physics, biology and economics crucially depends on the analysis of multivariate time series. While a wide range tools and techniques for time series analysis already exist, the increasing availability of massive data structures calls for new approaches for multidimensional signal processing. We present here a non-parametric method to analyse multivariate time series, based on the mapping of a multidimensional time series into a multilayer network, which allows to extract information on a high dimensional dynamical system through the analysis of the structure of the associated multiplex network. The method is simple to implement, general, scalable, does not require ad hoc phase space partitioning, and is thus suitable for the analysis of large, heterogeneous and non-stationary time series. We show that simple structural descriptors of the associated multiplex networks allow to extract and quantify nontrivial properties of coupled chaotic maps, including the transition between different dynamical phases and the onset of various types of synchronization. As a concrete example we then study financial time series, showing that a multiplex network analysis can efficiently discriminate crises from periods of financial stability, where standard methods based on time-series symbolization often fail.

The Latent Structure of Life-Course-Persistent Antisocial Behavior: Is Moffitt's Developmental Taxonomy a True Taxonomy?

ERIC Educational Resources Information Center

Walters, Glenn D.

2011-01-01

Objective: The purpose of this study was to determine whether life-course-persistent (LCP) and adolescence-limited (AL) antisocial behavior form distinct categories or lie along a common dimension. Method: Taxometric analyses were performed on 2,175 men and women from the National Longitudinal Survey of Youth-Child Data (Center for Human Resource…

Evaluation of the Spiritual Well-Being Scale in a Sample of Korean Adults.

PubMed

You, Sukkyung; Yoo, Ji Eun

2016-08-01

This study explored the psychometric qualities and construct validity of the Spiritual Well-Being Scale (SWBS; Ellison in J Psychol Theol 11:330-340, 1983) using a sample of 470 Korean adults. Two factor analyses, exploratory factor analysis and confirmatory factor analysis, were conducted in order to test the validity of the SWBS. The results of the factor analyses supported the original two-dimensional structure of the SWBS-religious well-being (RWB) and existential well-being (EWB) with method effects associated with negatively worded items. By controlling for method effects, the evaluation of the two-factor structure of SWBS is confirmed with clarity. Further, the differential pattern and magnitude of correlations between the SWB subscales and the religious and psychological variables suggested that two factors of the SWBS were valid for Protestant, Catholic, and religiously unaffiliated groups except Buddhists. The Protestant group scored higher in RWB compared to the Buddhist, Catholic, and unaffiliated groups. The Protestant group scored higher in EWB compared to the unaffiliated groups. Future studies may need to include more Buddhist samples to gain solid evidence for validity of the SWBS on a non-Western religious tradition.

Separation and analysis of trace degradants in a pharmaceutical formulation using on-line capillary isotachophoresis-NMR.

PubMed

Eldridge, Stacie L; Almeida, Valentino K; Korir, Albert K; Larive, Cynthia K

2007-11-15

NMR spectroscopy is widely used in the pharmaceutical industry for the structure elucidation of pharmaceutical impurities, especially when coupled to a separation method, such as HPLC. However, NMR has relatively poor sensitivity compared with other techniques such as mass spectrometry, limiting its applicability in impurity analyses. This limitation is addressed here through the on-line coupling of microcoil NMR with capillary isotachophoresis (cITP), a separation method that can concentrate dilute components by 2-3 orders of magnitude. With this approach, 1H NMR spectra can be acquired for microgram (nanomole) quantities of trace impurities in a complex sample matrix. cITP-NMR was used in this work to isolate and detect 4-aminophenol (PAP) in an acetaminophen sample spiked at the 0.1% level, with no interference from the parent compound. Analysis of an acetaminophen thermal degradation sample revealed resonances of several degradation products in addition to PAP, confirming the effectiveness of on-line cITP-NMR for trace analyses of pharmaceutical formulations. Subsequent LC-MS/MS analysis provided complementary information for the structure elucidation of the unknown degradation products, which were dimers formed during the degradation process.

Revealing biological information using data structuring and automated learning.

PubMed

Mohorianu, Irina; Moulton, Vincent

2010-11-01

The intermediary steps between a biological hypothesis, concretized in the input data, and meaningful results, validated using biological experiments, commonly employ bioinformatics tools. Starting with storage of the data and ending with a statistical analysis of the significance of the results, every step in a bioinformatics analysis has been intensively studied and the resulting methods and models patented. This review summarizes the bioinformatics patents that have been developed mainly for the study of genes, and points out the universal applicability of bioinformatics methods to other related studies such as RNA interference. More specifically, we overview the steps undertaken in the majority of bioinformatics analyses, highlighting, for each, various approaches that have been developed to reveal details from different perspectives. First we consider data warehousing, the first task that has to be performed efficiently, optimizing the structure of the database, in order to facilitate both the subsequent steps and the retrieval of information. Next, we review data mining, which occupies the central part of most bioinformatics analyses, presenting patents concerning differential expression, unsupervised and supervised learning. Last, we discuss how networks of interactions of genes or other players in the cell may be created, which help draw biological conclusions and have been described in several patents.

Plant Identification Based on Leaf Midrib Cross-Section Images Using Fractal Descriptors.

PubMed

da Silva, Núbia Rosa; Florindo, João Batista; Gómez, María Cecilia; Rossatto, Davi Rodrigo; Kolb, Rosana Marta; Bruno, Odemir Martinez

2015-01-01

The correct identification of plants is a common necessity not only to researchers but also to the lay public. Recently, computational methods have been employed to facilitate this task, however, there are few studies front of the wide diversity of plants occurring in the world. This study proposes to analyse images obtained from cross-sections of leaf midrib using fractal descriptors. These descriptors are obtained from the fractal dimension of the object computed at a range of scales. In this way, they provide rich information regarding the spatial distribution of the analysed structure and, as a consequence, they measure the multiscale morphology of the object of interest. In Biology, such morphology is of great importance because it is related to evolutionary aspects and is successfully employed to characterize and discriminate among different biological structures. Here, the fractal descriptors are used to identify the species of plants based on the image of their leaves. A large number of samples are examined, being 606 leaf samples of 50 species from Brazilian flora. The results are compared to other imaging methods in the literature and demonstrate that fractal descriptors are precise and reliable in the taxonomic process of plant species identification.

Performance of linear and nonlinear texture measures in 2D and 3D for monitoring architectural changes in osteoporosis using computer-generated models of trabecular bone

NASA Astrophysics Data System (ADS)

Boehm, Holger F.; Link, Thomas M.; Monetti, Roberto A.; Mueller, Dirk; Rummeny, Ernst J.; Raeth, Christoph W.

2005-04-01

Osteoporosis is a metabolic bone disease leading to de-mineralization and increased risk of fracture. The two major factors that determine the biomechanical competence of bone are the degree of mineralization and the micro-architectural integrity. Today, modern imaging modalities (high resolution MRI, micro-CT) are capable of depicting structural details of trabecular bone tissue. From the image data, structural properties obtained by quantitative measures are analysed with respect to the presence of osteoporotic fractures of the spine (in-vivo) or correlated with biomechanical strength as derived from destructive testing (in-vitro). Fairly well established are linear structural measures in 2D that are originally adopted from standard histo-morphometry. Recently, non-linear techniques in 2D and 3D based on the scaling index method (SIM), the standard Hough transform (SHT), and the Minkowski Functionals (MF) have been introduced, which show excellent performance in predicting bone strength and fracture risk. However, little is known about the performance of the various parameters with respect to monitoring structural changes due to progression of osteoporosis or as a result of medical treatment. In this contribution, we generate models of trabecular bone with pre-defined structural properties which are exposed to simulated osteoclastic activity. We apply linear and non-linear texture measures to the models and analyse their performance with respect to detecting architectural changes. This study demonstrates, that the texture measures are capable of monitoring structural changes of complex model data. The diagnostic potential varies for the different parameters and is found to depend on the topological composition of the model and initial "bone density". In our models, non-linear texture measures tend to react more sensitively to small structural changes than linear measures. Best performance is observed for the 3rd and 4th Minkowski Functionals and for the scaling index method.

Barriers and facilitators to integrating care: experiences from the English Integrated Care Pilots

PubMed Central

Ling, Tom; Brereton, Laura; Conklin, Annalijn; Newbould, Jennifer; Roland, Martin

2012-01-01

Background: In 2008, the English Department of Health appointed 16 ‘Integrated Care Pilots’ which used a range of approaches to provide better integrated care. We report qualitative analyses from a three-year multi-method evaluation to identify barriers and facilitators to successful integration of care. Theory and methods: Data were analysed from transcripts of 213 in-depth staff interviews, and from semi-structured questionnaires (the ‘Living Document’) completed by staff in pilot sites at six points over a two-year period. Emerging findings were therefore built from ‘bottom up’ and grounded in the data. However, we were then interested in how these findings compared and contrasted with more generic analyses. Therefore after our analyses were complete we then systematically compared and contrasted the findings with the analysis of barriers and facilitators to quality improvement identified in a systematic review by Kaplan et al. (2010) and the analysis of more micro-level shapers of behaviour found in Normalisation Process Theory (May et al. 2007). Neither of these approaches claims to be full blown theories but both claim to provide mid-range theoretical arguments which may be used to structure existing data and which can be undercut or reinforced by new data. Results and discussion: Many barriers and facilitators to integrating care are those of any large-scale organisational change. These include issues relating to leadership, organisational culture, information technology, physician involvement, and availability of resources. However, activities which appear particularly important for delivering integrated care include personal relationships between leaders in different organisations, the scale of planned activities, governance and finance arrangements, support for staff in new roles, and organisational and staff stability. We illustrate our analyses with a ‘routemap’ which identifies questions that providers may wish to consider when planning interventions to improve the integration of care. PMID:23593044

Tomographic inversion of P-wave velocity and Q structures beneath the Kirishima volcanic complex, Southern Japan, based on finite difference calculations of complex traveltimes

USGS Publications Warehouse

Tomatsu, T.; Kumagai, H.; Dawson, P.B.

2001-01-01

We estimate the P-wave velocity and attenuation structures beneath the Kirishima volcanic complex, southern Japan, by inverting the complex traveltimes (arrival times and pulse widths) of waveform data obtained during an active seismic experiment conducted in 1994. In this experiment, six 200-250 kg shots were recorded at 163 temporary seismic stations deployed on the volcanic complex. We use first-arrival times for the shots, which were hand-measured interactively. The waveform data are Fourier transformed into the frequency domain and analysed using a new method based on autoregressive modelling of complex decaying oscillations in the frequency domain to determine pulse widths for the first-arrival phases. A non-linear inversion method is used to invert 893 first-arrival times and 325 pulse widths to estimate the velocity and attenuation structures of the volcanic complex. Wavefronts for the inversion are calculated with a finite difference method based on the Eikonal equation, which is well suited to estimating the complex traveltimes for the structures of the Kirishima volcano complex, where large structural heterogeneities are expected. The attenuation structure is derived using ray paths derived from the velocity structure. We obtain 3-D velocity and attenuation structures down to 1.5 and 0.5 km below sea level, respectively. High-velocity pipe-like structures with correspondingly low attenuation are found under the summit craters. These pipe-like structures are interpreted as remnant conduits of solidified magma. No evidence of a shallow magma chamber is visible in the tomographic images.

Performance-based plastic design of earthquake resistant reinforced concrete moment frames

NASA Astrophysics Data System (ADS)

Liao, Wen-Cheng

Performance-Based Plastic Design (PBPD) method has been recently developed to achieve enhanced performance of earthquake resistant structures. The design concept uses pre-selected target drift and yield mechanism as performance criteria. The design base shear for selected hazard level is determined by equating the work needed to push the structure monotonically up to the target drift to the corresponding energy demand of an equivalent SDOF oscillator. This study presents development of the PBPD approach as applied to reinforced concrete special moment frame (RC SMF) structures. RC structures present special challenge because of their complex and degrading ("pinched") hysteretic behavior. In order to account for the degrading hysteretic behavior the 1-EMA 440 C2 factor approach was used in the process of determining the design base shear. Four baseline RC SMF (4, 8, 12 and 20-story) as used in the FEMA P695 were selected for this study. Those frames were redesigned by the PBPD approach. The baseline frames and the PBPD frames were subjected to extensive inelastic pushover and time-history analyses. The PBPD frames showed much improved response meeting all desired performance objectives, including the intended yield mechanisms and the target drifts. On the contrary, the baseline frames experienced large story drifts due to flexural yielding of the columns. The work-energy equation to determine design base shear can also be used to estimate seismic demands, called the energy spectrum method. In this approach the skeleton force-displacement (capacity) curve of the structure is converted into energy-displacement plot (Ec) which is superimposed over the corresponding energy demand plot ( Ed) for the specified hazard level to determine the expected peak displacement demands. In summary, this study shows that the PBPD approach can be successfully applied to RC moment frame structures as well, and that the responses of the example moment frames were much improved over those of the corresponding baseline frames. In addition, the drift demands of all study frames as computed by the energy spectrum method were in excellent agreement with those obtained from detailed inelastic dynamic analyses.

Characteristic analysis of surface waves in a sensitive plasma absorption probe

NASA Astrophysics Data System (ADS)

You, Wei; Li, Hong; Tan, Mingsheng; Liu, Wandong

2018-01-01

With features that are simple to construct and a symmetric configuration, the sensitive plasma absorption probe (SPAP) is a dependable probe for industry plasma diagnosis. The minimum peak in the characteristic curve of the coefficient of reflection stems from the surface wave resonance in plasma. We use numerical simulation methods to analyse the details of the excitation and propagation of these surface waves. With this method, the electromagnetic field structure and the resonance and propagation characteristics of the surface wave were analyzed simultaneously using the simulation method. For this SPAP structure, there are three different propagation paths for the propagating plasma surface wave. The propagation characteristic of the surface wave along each path is presented. Its dispersion relation is also calculated. The objective is to complete the relevant theory of the SPAP as well as the propagation process of the plasma surface wave.

Analysis of flexible aircraft longitudinal dynamics and handling qualities. Volume 2: Data

NASA Technical Reports Server (NTRS)

Waszak, M. R.; Schmidt, D. K.

1985-01-01

Two analysis methods are applied to a family of flexible aircraft in order to investigate how and when structural (especially dynamic aeroelastic) effects affect the dynamic characteristics of aircraft. The first type of analysis is an open loop modal analysis technique. This method considers the effect of modal residue magnitudes on determining vehicle handling qualities. The second method is a pilot in the loop analysis procedure that considers several closed loop system characteristics. Both analyses indicated that dynamic aeroelastic effects caused a degradation in vehicle tracking performance, based on the evaluation of some simulation results. Volume 2 consists of the presentation of the state variable models of the flexible aircraft configurations used in the analysis applications mode shape plots for the structural modes, numerical results from the modal analysis frequency response plots from the pilot in the loop analysis and a listing of the modal analysis computer program.

Predicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone design.

PubMed

Smith, Colin A; Kortemme, Tanja

2011-01-01

Predicting the set of sequences that are tolerated by a protein or protein interface, while maintaining a desired function, is useful for characterizing protein interaction specificity and for computationally designing sequence libraries to engineer proteins with new functions. Here we provide a general method, a detailed set of protocols, and several benchmarks and analyses for estimating tolerated sequences using flexible backbone protein design implemented in the Rosetta molecular modeling software suite. The input to the method is at least one experimentally determined three-dimensional protein structure or high-quality model. The starting structure(s) are expanded or refined into a conformational ensemble using Monte Carlo simulations consisting of backrub backbone and side chain moves in Rosetta. The method then uses a combination of simulated annealing and genetic algorithm optimization methods to enrich for low-energy sequences for the individual members of the ensemble. To emphasize certain functional requirements (e.g. forming a binding interface), interactions between and within parts of the structure (e.g. domains) can be reweighted in the scoring function. Results from each backbone structure are merged together to create a single estimate for the tolerated sequence space. We provide an extensive description of the protocol and its parameters, all source code, example analysis scripts and three tests applying this method to finding sequences predicted to stabilize proteins or protein interfaces. The generality of this method makes many other applications possible, for example stabilizing interactions with small molecules, DNA, or RNA. Through the use of within-domain reweighting and/or multistate design, it may also be possible to use this method to find sequences that stabilize particular protein conformations or binding interactions over others.

Study of the glow curve structure of the minerals separated from black pepper (Piper nigrum L.)

NASA Astrophysics Data System (ADS)

Guzmán, S.; Ruiz Gurrola, B.; Cruz-Zaragoza, E.; Tufiño, A.; Furetta, C.; Favalli, A.; Brown, F.

2011-04-01

The inorganic mineral fraction extracted from black pepper (Piper nigrum L.) has been analysed using a thermoluminescence (TL) method, investigating the glow curve structure, including an evaluation of the kinetic parameters. Different grain sizes, i.e. 10, 74, and 149 μm, were selected from commercial black pepper. The X-ray diffraction of the inorganic fraction shows that quartz is the main mineral present in it. The samples were exposed to 1-25 kGy doses by gamma rays of 60Co in order to analyse the thermally stimulated luminescence response as a function of the delivered dose. The glow curves show a complex structure for different grain sizes of the pepper mineral samples. The fading of the TL signal at room temperature was obtained after irradiation, and it was observed that the maximum peaks of the glow curves shift towards higher values of the temperature when the elapsed time from irradiation increases. It seems that the fading characteristic may be related to a continuous trap distribution responsible for the complex structure of the glow curve. Similar glow curves structure behaviour was found under ultraviolet irradiation of the samples. The activation energy and the frequency factor were determined from the glow curves of different grain sizes using a deconvolution programme because of the evident complexity of the structure.

Segmentation of 3d Models for Cultural Heritage Structural Analysis - Some Critical Issues

NASA Astrophysics Data System (ADS)

Gonizzi Barsanti, S.; Guidi, G.; De Luca, L.

2017-08-01

Cultural Heritage documentation and preservation has become a fundamental concern in this historical period. 3D modelling offers a perfect aid to record ancient buildings and artefacts and can be used as a valid starting point for restoration, conservation and structural analysis, which can be performed by using Finite Element Methods (FEA). The models derived from reality-based techniques, made up of the exterior surfaces of the objects captured at high resolution, are - for this reason - made of millions of polygons. Such meshes are not directly usable in structural analysis packages and need to be properly pre-processed in order to be transformed in volumetric meshes suitable for FEA. In addition, dealing with ancient objects, a proper segmentation of 3D volumetric models is needed to analyse the behaviour of the structure with the most suitable level of detail for the different sections of the structure under analysis. Segmentation of 3D models is still an open issue, especially when dealing with ancient, complicated and geometrically complex objects that imply the presence of anomalies and gaps, due to environmental agents such as earthquakes, pollution, wind and rain, or human factors. The aims of this paper is to critically analyse some of the different methodologies and algorithms available to segment a 3D point cloud or a mesh, identifying difficulties and problems by showing examples on different structures.

Impact of immersion oils and mounting media on the confocal imaging of dendritic spines

PubMed Central

Peterson, Brittni M.; Mermelstein, Paul G.; Meisel, Robert L.

2015-01-01

Background Structural plasticity, such as changes in dendritic spine morphology and density, reflect changes in synaptic connectivity and circuitry. Procedural variables used in different methods for labeling dendritic spines have been quantitatively evaluated for their impact on the ability to resolve individual spines in confocal microscopic analyses. In contrast, there have been discussions, though no quantitative analyses, of the potential effects of choosing specific mounting media and immersion oils on dendritic spine resolution. New Method Here we provide quantitative data measuring the impact of these variables on resolving dendritic spines in 3D confocal analyses. Medium spiny neurons from the rat striatum and nucleus accumbens are used as examples. Results Both choice of mounting media and immersion oil affected the visualization of dendritic spines, with choosing the appropriate immersion oil as being more imperative. These biologic data are supported by quantitative measures of the 3D diffraction pattern (i.e. point spread function) of a point source of light under the same mounting medium and immersion oil combinations. Comparison with Existing Method Although not a new method, this manuscript provides quantitative data demonstrating that different mounting media and immersion oils can impact the ability to resolve dendritic spines. These findings highlight the importance of reporting which mounting medium and immersion oil are used in preparations for confocal analyses, especially when comparing published results from different laboratories. Conclusion Collectively, these data suggest that choosing the appropriate immersion oil and mounting media is critical for obtaining the best resolution, and consequently more accurate measures of dendritic spine densities. PMID:25601477

The promises and limitations of female-initiated methods of HIV/STI protection.

PubMed

Mantell, Joanne E; Dworkin, Shari L; Exner, Theresa M; Hoffman, Susie; Smit, Jenni A; Susser, Ida

2006-10-01

New methods are now available, and others are being developed, that could enable women to take the initiative in preventing sexually transmitted infections. However, attempts to capitalize on "female-controlled" preventive methods thus far have met with limited success. Female-initiated methods were introduced to intervene in the state of gender relations and assist women who are disempowered vis-à-vis their male partners. Paradoxically, however, we underscore that it is the very structure of regional and local gender relations that shapes the acceptability (or lack of acceptability) of these methods. This paper specifically addresses how the structure of gender relations-for better and for worse-shapes the promises and limitations of widespread use and acceptance of female-initiated methods. We draw on examples from around the world to underscore how the regional specificities of gender (in)equality shape the acceptance, negotiation, and use of these methods. Simultaneously, we demonstrate how the introduction and sustained use of methods are shaped by gender relations and offer possibilities for reinforcing or challenging their current state. Based on our analyses, we offer key policy and programmatic recommendations to increase promotion and effective use of women-initiated HIV/STI protection methods for both women and men.

Deterministic and reliability based optimization of integrated thermal protection system composite panel using adaptive sampling techniques

NASA Astrophysics Data System (ADS)

Ravishankar, Bharani

Conventional space vehicles have thermal protection systems (TPS) that provide protection to an underlying structure that carries the flight loads. In an attempt to save weight, there is interest in an integrated TPS (ITPS) that combines the structural function and the TPS function. This has weight saving potential, but complicates the design of the ITPS that now has both thermal and structural failure modes. The main objectives of this dissertation was to optimally design the ITPS subjected to thermal and mechanical loads through deterministic and reliability based optimization. The optimization of the ITPS structure requires computationally expensive finite element analyses of 3D ITPS (solid) model. To reduce the computational expenses involved in the structural analysis, finite element based homogenization method was employed, homogenizing the 3D ITPS model to a 2D orthotropic plate. However it was found that homogenization was applicable only for panels that are much larger than the characteristic dimensions of the repeating unit cell in the ITPS panel. Hence a single unit cell was used for the optimization process to reduce the computational cost. Deterministic and probabilistic optimization of the ITPS panel required evaluation of failure constraints at various design points. This further demands computationally expensive finite element analyses which was replaced by efficient, low fidelity surrogate models. In an optimization process, it is important to represent the constraints accurately to find the optimum design. Instead of building global surrogate models using large number of designs, the computational resources were directed towards target regions near constraint boundaries for accurate representation of constraints using adaptive sampling strategies. Efficient Global Reliability Analyses (EGRA) facilitates sequentially sampling of design points around the region of interest in the design space. EGRA was applied to the response surface construction of the failure constraints in the deterministic and reliability based optimization of the ITPS panel. It was shown that using adaptive sampling, the number of designs required to find the optimum were reduced drastically, while improving the accuracy. System reliability of ITPS was estimated using Monte Carlo Simulation (MCS) based method. Separable Monte Carlo method was employed that allowed separable sampling of the random variables to predict the probability of failure accurately. The reliability analysis considered uncertainties in the geometry, material properties, loading conditions of the panel and error in finite element modeling. These uncertainties further increased the computational cost of MCS techniques which was also reduced by employing surrogate models. In order to estimate the error in the probability of failure estimate, bootstrapping method was applied. This research work thus demonstrates optimization of the ITPS composite panel with multiple failure modes and large number of uncertainties using adaptive sampling techniques.

On the use of log-transformation vs. nonlinear regression for analyzing biological power laws.

PubMed

Xiao, Xiao; White, Ethan P; Hooten, Mevin B; Durham, Susan L

2011-10-01

Power-law relationships are among the most well-studied functional relationships in biology. Recently the common practice of fitting power laws using linear regression (LR) on log-transformed data has been criticized, calling into question the conclusions of hundreds of studies. It has been suggested that nonlinear regression (NLR) is preferable, but no rigorous comparison of these two methods has been conducted. Using Monte Carlo simulations, we demonstrate that the error distribution determines which method performs better, with NLR better characterizing data with additive, homoscedastic, normal error and LR better characterizing data with multiplicative, heteroscedastic, lognormal error. Analysis of 471 biological power laws shows that both forms of error occur in nature. While previous analyses based on log-transformation appear to be generally valid, future analyses should choose methods based on a combination of biological plausibility and analysis of the error distribution. We provide detailed guidelines and associated computer code for doing so, including a model averaging approach for cases where the error structure is uncertain.

Parasites as valuable stock markers for fisheries in Australasia, East Asia and the Pacific Islands.

PubMed

Lester, R J G; Moore, B R

2015-01-01

Over 30 studies in Australasia, East Asia and the Pacific Islands region have collected and analysed parasite data to determine the ranges of individual fish, many leading to conclusions about stock delineation. Parasites used as biological tags have included both those known to have long residence times in the fish and those thought to be relatively transient. In many cases the parasitological conclusions have been supported by other methods especially analysis of the chemical constituents of otoliths, and to a lesser extent, genetic data. In analysing parasite data, authors have applied multiple different statistical methodologies, including summary statistics, and univariate and multivariate approaches. Recently, a growing number of researchers have found non-parametric methods, such as analysis of similarities and cluster analysis, to be valuable. Future studies into the residence times, life cycles and geographical distributions of parasites together with more robust analytical methods will yield much important information to clarify stock structures in the area.

Rheological and structural characterisation of film-forming solutions and biodegradable edible film made from kefiran as affected by various plasticizer types.

PubMed

Ghasemlou, Mehran; Khodaiyan, Faramarz; Oromiehie, Abdulrasoul

2011-11-01

The rheological properties of kefiran film-forming solutions, as well as the structural characterisation of the resulting films, were investigated as a function of various plasticizer types. The behaviours of the storage (G') and loss (G″) moduli as a function of frequency were typical of gel-like material, with the G' higher than the G″. Kefiran-based films, which may find application as edible films, were prepared by a casting and solvent-evaporation method. Possible interaction between the adjacent chains in the kefiran polymer and various plasticizers was proven by Fourier-transform infrared spectroscopy (FT-IR). The crystallinity of plasticized kefiran film was also analysed using X-ray diffraction (XRD); this revealed an amorphous-crystalline structure. These results were explained by the film's microstructure, which was analysed by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The present study has helped determine possible interactions of kefiran, plasticizer and water molecules in determining film properties. Copyright © 2011 Elsevier B.V. All rights reserved.

Application of multivariate statistical techniques in microbial ecology.

PubMed

Paliy, O; Shankar, V

2016-03-01

Recent advances in high-throughput methods of molecular analyses have led to an explosion of studies generating large-scale ecological data sets. In particular, noticeable effect has been attained in the field of microbial ecology, where new experimental approaches provided in-depth assessments of the composition, functions and dynamic changes of complex microbial communities. Because even a single high-throughput experiment produces large amount of data, powerful statistical techniques of multivariate analysis are well suited to analyse and interpret these data sets. Many different multivariate techniques are available, and often it is not clear which method should be applied to a particular data set. In this review, we describe and compare the most widely used multivariate statistical techniques including exploratory, interpretive and discriminatory procedures. We consider several important limitations and assumptions of these methods, and we present examples of how these approaches have been utilized in recent studies to provide insight into the ecology of the microbial world. Finally, we offer suggestions for the selection of appropriate methods based on the research question and data set structure. © 2016 John Wiley & Sons Ltd.

Objective identification of residue ranges for the superposition of protein structures

PubMed Central

2011-01-01

Background The automation of objectively selecting amino acid residue ranges for structure superpositions is important for meaningful and consistent protein structure analyses. So far there is no widely-used standard for choosing these residue ranges for experimentally determined protein structures, where the manual selection of residue ranges or the use of suboptimal criteria remain commonplace. Results We present an automated and objective method for finding amino acid residue ranges for the superposition and analysis of protein structures, in particular for structure bundles resulting from NMR structure calculations. The method is implemented in an algorithm, CYRANGE, that yields, without protein-specific parameter adjustment, appropriate residue ranges in most commonly occurring situations, including low-precision structure bundles, multi-domain proteins, symmetric multimers, and protein complexes. Residue ranges are chosen to comprise as many residues of a protein domain that increasing their number would lead to a steep rise in the RMSD value. Residue ranges are determined by first clustering residues into domains based on the distance variance matrix, and then refining for each domain the initial choice of residues by excluding residues one by one until the relative decrease of the RMSD value becomes insignificant. A penalty for the opening of gaps favours contiguous residue ranges in order to obtain a result that is as simple as possible, but not simpler. Results are given for a set of 37 proteins and compared with those of commonly used protein structure validation packages. We also provide residue ranges for 6351 NMR structures in the Protein Data Bank. Conclusions The CYRANGE method is capable of automatically determining residue ranges for the superposition of protein structure bundles for a large variety of protein structures. The method correctly identifies ordered regions. Global structure superpositions based on the CYRANGE residue ranges allow a clear presentation of the structure, and unnecessary small gaps within the selected ranges are absent. In the majority of cases, the residue ranges from CYRANGE contain fewer gaps and cover considerably larger parts of the sequence than those from other methods without significantly increasing the RMSD values. CYRANGE thus provides an objective and automatic method for standardizing the choice of residue ranges for the superposition of protein structures. PMID:21592348

Low-Temperature Thermochronology for Unraveling Thermal Processes and Dating of Fault Zones

NASA Astrophysics Data System (ADS)

Tagami, T.

2016-12-01

Thermal signatures as well as timing of fault motions can be constrained by thermochronological analyses of fault-zone rocks (e.g., Tagami, 2012). Fault-zone materials suitable for such analyses are produced by tectocic and geochemical processes, such as (1) mechanical fragmentation of host rocks, grain-size reduction of fragments and recrystallization of grains to form mica and clay minerals, (2) secondary heating/melting of host rocks by frictional fault motions, and (3) mineral vein formation as a consequence of fluid advection associated with fault motions. The geothermal structure of fault zones are primarily controlled by the following three factors: (a) regional geothermal structure around the fault zone that reflect background thermo-tectonic history of studied province, (b) frictional heating of wall rocks by fault motions and resultant heat transfer into surrounding rocks, and (c) thermal influences by hot fluid advection in and around the fault zone. Thermochronological methods widely applied in fault zones are K-Ar (40Ar/39Ar), fission-track (FT), and U-Th methods. In addition, OSL, TL, ESR and (U-Th)/He methods are applied in some fault zones, in order to extract temporal imformation related to low temperature and/or very recent fault activities. Here I briefly review the thermal sensitivity of individual thermochronological systems, which basically controls the response of each method against faulting processes. Then, the thermal sensitivity of FTs is highlighted, with a particular focus on the thermal processes characteristic to fault zones, i.e., flash and hydrothermal heating. On these basis, representative examples as well as key issues, including sampling strategy, are presented to make thermochronologic analysis of fault-zone materials, such as fault gouges, pseudotachylytes and mylonites, along with geological, geomorphological and seismological implications. Finally, the thermochronologic analyses of the Nojima fault are overviewed, as an example of multidisciplinary investigations of an active seismogenic fault system. References: T. Tagami, 2012. Thermochronological investigation of fault zones. Tectonophys., 538-540, 67-85, doi:10.1016/j.tecto.2012.01.032.

Family structure and posttraumatic stress reactions: a longitudinal study using multilevel analyses

PubMed Central

2011-01-01

Background There is limited research on the relevance of family structures to the development and maintenance of posttraumatic stress following disasters. We longitudinally studied the effects of marital and parental statuses on posttraumatic stress reactions after the 2004 Southeast Asian tsunami and whether persons in the same households had more shared stress reactions than others. Method The study included a tourist population of 641 Norwegian adult citizens, many of them from families with children. We measured posttraumatic stress symptoms with the Impact of Event Scale-Revised at 6 months and 2 years post-disaster. Analyses included multilevel methods with mixed effects models. Results Results showed that neither marital nor parental status was significantly related to posttraumatic stress. At both assessments, adults living in the same household reported levels of posttraumatic stress that were more similar to one another than adults who were not living together. Between households, disaster experiences were closely related to the variance in posttraumatic stress symptom levels at both assessments. Within households, however, disaster experiences were less related to the variance in symptom level at 2 years than at 6 months. Conclusions These results indicate that adult household members may influence one another's posttraumatic stress reactions as well as their interpretations of the disaster experiences over time. Our findings suggest that multilevel methods may provide important information about family processes after disasters. PMID:22171549

Beamforming array techniques for acoustic emission monitoring of large concrete structures

NASA Astrophysics Data System (ADS)

McLaskey, Gregory C.; Glaser, Steven D.; Grosse, Christian U.

2010-06-01

This paper introduces a novel method of acoustic emission (AE) analysis which is particularly suited for field applications on large plate-like reinforced concrete structures, such as walls and bridge decks. Similar to phased-array signal processing techniques developed for other non-destructive evaluation methods, this technique adapts beamforming tools developed for passive sonar and seismological applications for use in AE source localization and signal discrimination analyses. Instead of relying on the relatively weak P-wave, this method uses the energy-rich Rayleigh wave and requires only a small array of 4-8 sensors. Tests on an in-service reinforced concrete structure demonstrate that the azimuth of an artificial AE source can be determined via this method for sources located up to 3.8 m from the sensor array, even when the P-wave is undetectable. The beamforming array geometry also allows additional signal processing tools to be implemented, such as the VESPA process (VElocity SPectral Analysis), whereby the arrivals of different wave phases are identified by their apparent velocity of propagation. Beamforming AE can reduce sampling rate and time synchronization requirements between spatially distant sensors which in turn facilitates the use of wireless sensor networks for this application.

Characterization method for relative Raman enhancement for surface-enhanced Raman spectroscopy using gold nanoparticle dimer array

NASA Astrophysics Data System (ADS)

Sugano, Koji; Ikegami, Kohei; Isono, Yoshitada

2017-06-01

In this paper, a characterization method for Raman enhancement for highly sensitive and quantitative surface-enhanced Raman spectroscopy (SERS) is reported. A particle dimer shows a marked electromagnetic enhancement when the particle connection direction is matched to the polarization direction of incident light. In this study, dimers were arrayed by nanotrench-guided self-assembly for a marked total Raman enhancement. By measuring acetonedicarboxylic acid, the fabricated structures were characterized for SERS depending on the polarization angle against the particle connection direction. This indicates that the fabricated structures cause an effective SERS enhancement, which is dominated by the electromagnetic enhancement. Then, we measured 4,4‧-bipyridine, which is a pesticide material, for quantitative analysis. In advance, we evaluated the enhancement of the particle structure by the Raman measurement of acetonedicarboxylic acid. Finally, we compared the Raman intensities of acetonedicarboxylic acid and 4,4‧-bipyridine. Their intensities showed good correlation. The advantage of this method for previously evaluating the enhancement of the substrate was demonstrated. This developed SERS characterization method is expected to be applied to various quantitative trace analyses of molecules with high sensitivity.

Applications of rule-induction in the derivation of quantitative structure-activity relationships.

PubMed

A-Razzak, M; Glen, R C

1992-08-01

Recently, methods have been developed in the field of Artificial Intelligence (AI), specifically in the expert systems area using rule-induction, designed to extract rules from data. We have applied these methods to the analysis of molecular series with the objective of generating rules which are predictive and reliable. The input to rule-induction consists of a number of examples with known outcomes (a training set) and the output is a tree-structured series of rules. Unlike most other analysis methods, the results of the analysis are in the form of simple statements which can be easily interpreted. These are readily applied to new data giving both a classification and a probability of correctness. Rule-induction has been applied to in-house generated and published QSAR datasets and the methodology, application and results of these analyses are discussed. The results imply that in some cases it would be advantageous to use rule-induction as a complementary technique in addition to conventional statistical and pattern-recognition methods.

First-order reliability application and verification methods for semistatic structures

NASA Astrophysics Data System (ADS)

Verderaime, V.

1994-11-01

Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored in conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments; stress audits are shown to be arbitrary and incomplete, and the concept compromises the performance of high-strength materials. A reliability method is proposed that combines first-order reliability principles with deterministic design variables and conventional test techniques to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety-index expression. The application is reduced to solving for a design factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this design factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and the development of semistatic structural designs.

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

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

Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp

2016-07-27

Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorptionmore » edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.« less

Fabrication and characterization of magnesium and calcium trimesate complexes via ion-exchange and one-pot self-assembly reaction

NASA Astrophysics Data System (ADS)

Ozer, Demet; Oztas, Nursen Altuntas; Köse, Dursun A.; Şahin, Onur

2018-03-01

Using two different synthesis methods, two diversified magnesium and calcium complexes were successfully prepared. When the ion exchange method was used, C9H14MgO11.H2O and C18H30Ca3O24 complexes were obtained. When the one-pot self-assembly reaction was used, C18H34Mg3O26.4H2O and C9H12CaO10 complexes were produced. The structural characterizations were performed by using X-ray diffraction, FT-IR and elemental analyses. Thermal behavior of complexes were also determined via TGA method. The both complexes of magnesium and calcium trimesate have micro and mesoporosity with low porosity because of hydrogen bonds. Then hydrogen storage capacities of complexes were also determined. The differences in synthesis method result in the differences on complexes structure, morphology (shape, particle size and specific surface area) and hydrogen storage capacities.

Applications of rule-induction in the derivation of quantitative structure-activity relationships

NASA Astrophysics Data System (ADS)

A-Razzak, Mohammed; Glen, Robert C.

1992-08-01

Recently, methods have been developed in the field of Artificial Intelligence (AI), specifically in the expert systems area using rule-induction, designed to extract rules from data. We have applied these methods to the analysis of molecular series with the objective of generating rules which are predictive and reliable. The input to rule-induction consists of a number of examples with known outcomes (a training set) and the output is a tree-structured series of rules. Unlike most other analysis methods, the results of the analysis are in the form of simple statements which can be easily interpreted. These are readily applied to new data giving both a classification and a probability of correctness. Rule-induction has been applied to in-house generated and published QSAR datasets and the methodology, application and results of these analyses are discussed. The results imply that in some cases it would be advantageous to use rule-induction as a complementary technique in addition to conventional statistical and pattern-recognition methods.

An Assessment of the State-of-the-art in Multidisciplinary Aeromechanical Analyses

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2008-01-01

This paper presents a survey of the current state-of-the-art in multidisciplinary aeromechanical analyses which integrate advanced Computational Structural Dynamics (CSD) and Computational Fluid Dynamics (CFD) methods. The application areas to be surveyed include fixed wing aircraft, turbomachinery, and rotary wing aircraft. The objective of the authors in the present paper, together with a companion paper on requirements, is to lay out a path for a High Performance Computing (HPC) based next generation comprehensive rotorcraft analysis. From this survey of the key technologies in other application areas it is possible to identify the critical technology gaps that stem from unique rotorcraft requirements.

Review of amateur meteor research

NASA Astrophysics Data System (ADS)

Rendtel, Jürgen

2017-09-01

Significant amounts of meteor astronomical data are provided by amateurs worldwide, using various methods. This review concentrates on optical data. Long-term meteor shower analyses based on consistent data are possible over decades (Orionids, Geminids, κ-Cygnids) and allow combination with modelling results. Small and weak structures related to individual stream filaments of cometary dust have been analysed in both major and minor showers (Quadrantids, September ε-Perseids), providing feedback to meteoroid ejection and stream evolution processes. Meteoroid orbit determination from video meteor networks contributes to the improvement of the IAU meteor data base. Professional-amateur cooperation also concerns observations and detailed analysis of fireball data, including meteorite ground searches.

Preparation of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using a coupling method of liquid plasma and electrochemical machining

NASA Astrophysics Data System (ADS)

Meng, Jianbing; Dong, Xiaojuan; Wei, Xiuting; Yin, Zhanmin

2014-03-01

Hard anti-adhesion surfaces, with low roughness and wear resistance, on aluminium substrates of rubber plastic moulds were fabricated via a new coupling method of liquid plasma and electrochemical machining. With the aid of liquid plasma thermal polishing and electrochemical anodic dissolution, micro/nano-scale binary structures were prepared as the base of the anti-adhesion surfaces. The anti-adhesion behaviours of the resulting aluminium surfaces were analysed by a surface roughness measuring instrument, a scanning electron microscope (SEM), a Fourier-transform infrared spectrophotometer (FTIR), an X-ray diffractometer (XRD), an optical contact angle meter, a digital Vickers micro-hardness (Hv) tester, and electronic universal testing. The results show that, after the liquid plasma and electrochemical machining, micro/nano-scale binary structures composed of micro-scale pits and nano-scale elongated boss structures were present on the sample surfaces. As a result, the anti-adhesion surfaces fabricated by the above coupling method have good anti-adhesion properties, better wear resistance and lower roughness.

Preparation of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using a coupling method of liquid plasma and electrochemical machining

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

Meng, Jianbing, E-mail: jianbingmeng@126.com; Dong, Xiaojuan; Wei, Xiuting

Hard anti-adhesion surfaces, with low roughness and wear resistance, on aluminium substrates of rubber plastic moulds were fabricated via a new coupling method of liquid plasma and electrochemical machining. With the aid of liquid plasma thermal polishing and electrochemical anodic dissolution, micro/nano-scale binary structures were prepared as the base of the anti-adhesion surfaces. The anti-adhesion behaviours of the resulting aluminium surfaces were analysed by a surface roughness measuring instrument, a scanning electron microscope (SEM), a Fourier-transform infrared spectrophotometer (FTIR), an X-ray diffractometer (XRD), an optical contact angle meter, a digital Vickers micro-hardness (Hv) tester, and electronic universal testing. The resultsmore » show that, after the liquid plasma and electrochemical machining, micro/nano-scale binary structures composed of micro-scale pits and nano-scale elongated boss structures were present on the sample surfaces. As a result, the anti-adhesion surfaces fabricated by the above coupling method have good anti-adhesion properties, better wear resistance and lower roughness.« less

Quasi-Rayleigh waves in butt-welded thick steel plate

NASA Astrophysics Data System (ADS)

Kamas, Tuncay; Giurgiutiu, Victor; Lin, Bin

2015-03-01

This paper discusses theoretical and experimental analyses of weld guided surface acoustic waves (SAW) through the guided wave propagation (GWP) analyses. The GWP analyses have been carried out by utilizing piezoelectric wafer active sensors (PWAS) for in situ structural inspection of a thick steel plate with butt weld as the weld bead is ground flush. Ultrasonic techniques are commonly used for validation of welded structures in many in-situ monitoring applications, e.g. in off-shore structures, in nuclear and pressure vessel industries and in a range of naval applications. PWAS is recently employed in such ultrasonic applications as a resonator as well as a transducer. Quasi-Rayleigh waves a.k.a. SAW can be generated in relatively thick isotropic elastic plate having the same phase velocity as Rayleigh waves whereas Rayleigh waves are a high frequency approximation of the first symmetric (S0) and anti-symmetric (A0) Lamb wave modes. As the frequency becomes very high the S0 and the A0 wave speeds coalesce, and both have the same value. This value is exactly the Rayleigh wave speed and becomes constant along the frequency i.e. Rayleigh waves are non-dispersive guided surface acoustic waves. The study is followed with weld-GWP tests through the pitch-catch method along the butt weld line. The tuning curves of quasi-Rayleigh wave are determined to show the tuning and trapping effect of the weld bead that has higher thickness than the adjacent plates on producing a dominant quasi-Rayleigh wave mode. The significant usage of the weld tuned and guided quasi-Rayleigh wave mode is essentially discussed for the applications in the in-situ inspection of relatively thick structures with butt weld such as naval offshore structures. The paper ends with summary, conclusions and suggestions for future work.

HEDEA: A Python Tool for Extracting and Analysing Semi-structured Information from Medical Records

PubMed Central

Aggarwal, Anshul; Garhwal, Sunita

2018-01-01

Objectives One of the most important functions for a medical practitioner while treating a patient is to study the patient's complete medical history by going through all records, from test results to doctor's notes. With the increasing use of technology in medicine, these records are mostly digital, alleviating the problem of looking through a stack of papers, which are easily misplaced, but some of these are in an unstructured form. Large parts of clinical reports are in written text form and are tedious to use directly without appropriate pre-processing. In medical research, such health records may be a good, convenient source of medical data; however, lack of structure means that the data is unfit for statistical evaluation. In this paper, we introduce a system to extract, store, retrieve, and analyse information from health records, with a focus on the Indian healthcare scene. Methods A Python-based tool, Healthcare Data Extraction and Analysis (HEDEA), has been designed to extract structured information from various medical records using a regular expression-based approach. Results The HEDEA system is working, covering a large set of formats, to extract and analyse health information. Conclusions This tool can be used to generate analysis report and charts using the central database. This information is only provided after prior approval has been received from the patient for medical research purposes. PMID:29770248

Investigation of the Mechanism of Roof Caving in the Jinchuan Nickel Mine, China

NASA Astrophysics Data System (ADS)

Ding, Kuo; Ma, Fengshan; Guo, Jie; Zhao, Haijun; Lu, Rong; Liu, Feng

2018-04-01

On 13 March 2016, a sudden, violent roof caving event with a collapse area of nearly 11,000 m2 occurred in the Jinchuan Nickel Mine and accompanied by air blasts, loud noises and ground vibrations. This collapse event coincided with related, conspicuous surface subsidence across an area of nearly 19,000 m2. This article aims to analyse this collapse event. In previous studies, various mining-induced collapses have been studied, but collapse accidents associated with the filling mining method are very rare and have not been thoroughly studied. The filling method has been regarded as a safe mining method for a long time, so research on associated collapse mechanisms is of considerable significance. In this study, a detailed field investigation of roadway damage was performed, and GPS monitoring results were used to analyse the surface failure. In addition, a numerical model was constructed based on the geometry of the ore body and a major fault. The analysis of the model revealed three failure mechanisms acting during different stages of destruction: double-sided embedded beam deformation, fault activation, and cantilever-articulated rock beam failure. The fault activation and the specific filling method are the key factors of this collapse event. To gain a better understanding of these factors, the shear stress and normal stress along the fault plane were monitored to determine the variation in stress at different failure stages. Discrete element models were established to study two filling methods and to analyse the stability of different filling structures.

NASA-UVA light aerospace alloy and structures technology program (LA(sup 2)ST)

NASA Technical Reports Server (NTRS)

Gangloff, Richard P.; Haviland, John K.; Herakovich, Carl T.; Pilkey, Walter D.; Pindera, Marek-Jerzy; Scully, John R.; Starke, Edgar A., Jr.; Stoner, Glenn E.; Thornton, Earl A.; Wawner, Franklin E., Jr.

1992-01-01

The general objective of the Light Aerospace Alloy and Structures Technology (LA(sup 2)ST) Program is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys, composites, and thermal gradient structures in collaboration with Langley researchers. Specific technical objectives are established for each research project. We aim to produce relevant data and basic understanding of material behavior and microstructure, new monolithic and composite alloys, advanced processing methods, new solid and fluid mechanics analyses, measurement advances, and critically, a pool of educated graduate students for aerospace technologies. Four research areas are being actively investigated, including: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals and Composites; (2) Aerospace Materials Science; (3) Mechanics of Materials and Composites for Aerospace Structures; and (4) Thermal Gradient Structures.

ARO 1.2: Solid Mechanics: Augmented Finite Element Method for High-Fidelity Analysis of Structural Composites

DTIC Science & Technology

2017-10-03

Physics of Solids, 78 (314-332). 2014. 6. C . X. Zhang, J . Z. Song, Q. D. Yang, “Periodic buckling patterns of graphene/hexagonal boron nitride...Mechanics, 139 (78-97), 2015. 9. Y. C . Gu, J . Jung, Q. D. Yang, and W. Q. Chen, “A New Stabilizing Method for Numerical Analyses with Severe...Local and Global Instability”, ASME Journal of Applied Mechanics, 82 (101010-1, -12), 2015 10. J . Jung, B. C . Do, and Q. D. Yang, “A-FEM for Arbitrary

As-received microstructure of a SiC/Ti-15-3 composite

NASA Technical Reports Server (NTRS)

Lerch, Bradley A.; Hull, David R.; Leonhardt, Todd A.

1988-01-01

A silicon carbide fiber reinforced titanium (Ti-15V-3Cr-3Sn-3Al) composite is metallographically examined. Several methods for examining composite materials are investigated and documented. Polishing techniques for this material are described. An interference layering method is developed to reveal the structure of the fiber, the reaction zone, and various phases within the matrix. Microprobe and transmission electron microscope (TEM) analyses are performed on the fiber/matrix interface. A detailed description of the fiber distribution as well as the microstructure of the fiber and matrix are presented.

Identifying Time Periods of Minimal Thermal Gradient for Temperature-Driven Structural Health Monitoring

PubMed Central

Reilly, John; Glisic, Branko

2018-01-01

Temperature changes play a large role in the day to day structural behavior of structures, but a smaller direct role in most contemporary Structural Health Monitoring (SHM) analyses. Temperature-Driven SHM will consider temperature as the principal driving force in SHM, relating a measurable input temperature to measurable output generalized strain (strain, curvature, etc.) and generalized displacement (deflection, rotation, etc.) to create three-dimensional signatures descriptive of the structural behavior. Identifying time periods of minimal thermal gradient provides the foundation for the formulation of the temperature–deformation–displacement model. Thermal gradients in a structure can cause curvature in multiple directions, as well as non-linear strain and stress distributions within the cross-sections, which significantly complicates data analysis and interpretation, distorts the signatures, and may lead to unreliable conclusions regarding structural behavior and condition. These adverse effects can be minimized if the signatures are evaluated at times when thermal gradients in the structure are minimal. This paper proposes two classes of methods based on the following two metrics: (i) the range of raw temperatures on the structure, and (ii) the distribution of the local thermal gradients, for identifying time periods of minimal thermal gradient on a structure with the ability to vary the tolerance of acceptable thermal gradients. The methods are tested and validated with data collected from the Streicker Bridge on campus at Princeton University. PMID:29494496

Identifying Time Periods of Minimal Thermal Gradient for Temperature-Driven Structural Health Monitoring.

PubMed

Reilly, John; Glisic, Branko

2018-03-01

Temperature changes play a large role in the day to day structural behavior of structures, but a smaller direct role in most contemporary Structural Health Monitoring (SHM) analyses. Temperature-Driven SHM will consider temperature as the principal driving force in SHM, relating a measurable input temperature to measurable output generalized strain (strain, curvature, etc.) and generalized displacement (deflection, rotation, etc.) to create three-dimensional signatures descriptive of the structural behavior. Identifying time periods of minimal thermal gradient provides the foundation for the formulation of the temperature-deformation-displacement model. Thermal gradients in a structure can cause curvature in multiple directions, as well as non-linear strain and stress distributions within the cross-sections, which significantly complicates data analysis and interpretation, distorts the signatures, and may lead to unreliable conclusions regarding structural behavior and condition. These adverse effects can be minimized if the signatures are evaluated at times when thermal gradients in the structure are minimal. This paper proposes two classes of methods based on the following two metrics: (i) the range of raw temperatures on the structure, and (ii) the distribution of the local thermal gradients, for identifying time periods of minimal thermal gradient on a structure with the ability to vary the tolerance of acceptable thermal gradients. The methods are tested and validated with data collected from the Streicker Bridge on campus at Princeton University.

Structural bioinformatics: methods, concepts and applications to blood coagulation proteins.

PubMed

Villoutreix, Bruno O

2002-06-01

Structural and theoretical analyses of proteins are central to the understanding of complex molecular mechanisms and are fundamental to the drug discovery process. Computational techniques yield useful insights into an ever-wider range of biomolecular systems. Protein three-dimensional structures and molecular functions can be predicted in some circumstances, while experimental structures can be analyzed in depth via such computational approaches. Non-covalent binding of biomolecules can be understood by considering structural, thermodynamic and kinetic issues, and theoretical simulations of such events can be attempted. The central role of electrostatic interactions with regard to protein function, structure and stability has been investigated and some electrostatic properties can be modeled theoretically. Computer methods thus help to prioritize, design, analyze and rationalize biochemical experiments. Cardiovascular diseases and associated blood coagulation disorders are leading causes of death worldwide. Blood coagulation involves more than 30 proteins that interact specifically with various degrees of affinity. Many of these molecules can also bind transiently to phospholipid surfaces. Numerous point mutations in the genes of coagulation proteins and regulators have been identified. Understanding the coagulation cascade, its regulation and the impact of mutations is required for the development of new therapies and diagnostic tools. In this review, we describe concepts and methods pertaining to the field of structural bioinformatics. We provide examples of applications of these approaches to blood coagulation proteins and show that such studies can give insights about molecular mechanisms contributing to cardiovascular disease susceptibility.